Standard InChI: InChI=1S/C25H24N6O2/c1-2-21(32)30-14-6-7-18(15-30)31-25-22(24(26)27-16-28-25)23(29-31)17-10-12-20(13-11-17)33-19-8-4-3-5-9-19/h2-5,8-13,16,18H,1,6-7,14-15H2,(H2,26,27,28)/t18-/m1/s1 (Source: PubChem)

IUPAC Name: 1-[(3R)-3-[4-amino-3-(4-phenoxyphenyl)pyrazolo[3,4-d]pyrimidin-1-yl]piperidin-1-yl]prop-2-en-1-one (Source: PubChem)

PubChem CID: 24821094 (Source: PubChem)

SMILES String: C=CC(=O)N1CCCC(C1)N2C3=NC=NC(=C3C(=N2)C4=CC=C(C=C4)OC5=CC=CC=C5)N (Source: PubChem)

SMILES String: C=CC(=O)N1CCC[C@H](C1)N2C3=NC=NC(=C3C(=N2)C4=CC=C(C=C4)OC5=CC=CC=C5)N (Source: PubChem)

Connectivity SMILES string: C=CC(=O)N1CCCC(C1)N2C3=NC=NC(=C3C(=N2)C4=CC=C(C=C4)OC5=CC=CC=C5)N (Source: PubChem)

Standard InChIKey: XYFPWWZEPKGCCK-GOSISDBHSA-N (Source: PubChem)

CAS Registry Number: 936563-96-1 (Source: PubChem)

ChEBI ID: CHEBI:76612 (Source: PubChem)

ChEMBL ID: CHEMBL1873475 (Source: PubChem)

CompTox Dashboard Compound ID: DTXCID601323465 (Source: PubChem)

CompTox Dashboard Substance ID: DTXSID60893450 (Source: PubChem)

European Community Number: 805-642-2 (Source: PubChem)

Wikidata ID: Q5984881 (Source: PubChem)

WHO ATC Classification Drug Code: L01EL01 (Source: ChEMBL)

British National Formulary: Ibrutinib (Source: ChEMBL)

Connectivity SMILES string: C=CC(=O)N1CCC[C@@H](n2nc(-c3ccc(Oc4ccccc4)cc3)c3c(N)ncnc32)C1 (Source: ChEMBL)

European Medicines Agency Name: Ibrutinib (Source: ChEMBL)

International Nonproprietary Name: Ibrutinib (Source: ChEMBL)

Merck Index Name: Ibrutinib (Source: ChEMBL)

Preferred Name: IBRUTINIB (Source: ChEMBL)

Standard InChI: InChI=1S/C25H24N6O2/c1-2-21(32)30-14-6-7-18(15-30)31-25-22(24(26)27-16-28-25)23(29-31)17-10-12-20(13-11-17)33-19-8-4-3-5-9-19/h2-5,8-13,16,18H,1,6-7,14-15H2,(H2,26,27,28)/t18-/m1/s1 (Source: ChEMBL)

Standard InChIKey: XYFPWWZEPKGCCK-GOSISDBHSA-N (Source: ChEMBL)

US Adopted Name: Ibrutinib (Source: ChEMBL)

Molecule statistics: 1 (Source: PubChem)

Molecule statistics: 0 (Source: PubChem)

Thermodynamic parameters: 3.6 (Source: PubChem)

Molecule statistics: 1 (Source: PubChem)

Molecule statistics: 1 (Source: PubChem)

Molecule statistics: 0 (Source: PubChem)

Mass parameters: 440.19607403 Da (Source: PubChem)

Molecule statistics: 33 (Source: PubChem)

Molecule statistics: 6 (Source: PubChem)

Molecule statistics: 1 (Source: PubChem)

Molecule statistics: 0 (Source: PubChem)

Surface parameters: 0 (Source: PubChem)

Stuctural analysis: 678 (Source: PubChem)

Stuctural analysis: 340.5 (Source: PubChem)

Mass parameters: 440.5 g/mol (Source: PubChem)

Mass parameters: 440.19607403 Da (Source: PubChem)

Molecule statistics: 5 (Source: PubChem)

Surface parameters: 99.2 Ų (Source: PubChem)

Molecule statistics: 0 (Source: PubChem)

Molecule statistics: 0 (Source: PubChem)

Thermodynamic parameters: 4 (Source: ChEMBL)

Thermodynamic parameters: 4.22 (Source: ChEMBL)

Molecule statistics: 33 (Source: ChEMBL)

Molecule statistics: 7 (Source: ChEMBL)

Molecule statistics: 1 (Source: ChEMBL)

Mass parameters: 440.51 g/mol (Source: ChEMBL)

Mass parameters: 440.51 g/mol (Source: ChEMBL)

Molecule statistics: -0.80 (Source: ChEMBL)

Molecule statistics: 99.16 (Source: ChEMBL)

Molecule statistics: 0.47 (Source: ChEMBL)

Molecule statistics: 5 (Source: ChEMBL)

Chemical formula: C25H24N6O2 (Source: PubChem)

Chirality: 1 (Source: ChEMBL)

Chemical formula: C25H24N6O2 (Source: ChEMBL)

Molecule type: Small molecule (Source: ChEMBL)

Natural product: 1 (Source: ChEMBL)

Passes the rule of three : N (Source: ChEMBL)

USAN STEM Defintion: tyrosine kinase inhibitors: tyrosine kinase inhibitors Bruton's (Btk) inhibitors (Source: ChEMBL)

USAN STEM: -tinib (Source: ChEMBL)