Zanubrutinib
(7S)-2-(4-phenoxyphenyl)-7-(1-prop-2-enoylpiperidin-4-yl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide
Molecular Identity
Zanubrutinib
(7S)-2-(4-phenoxyphenyl)-7-(1-prop-2-enoylpiperidin-4-yl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide
PubChem CID: 135565884
2D Structure
Properties
C27H29N5O3
Molecular Formula
471.50
Molecular Weight
g/mol
471.2270
Exact Mass
Da
3.5
XLogP
Drug-like (Lipinski: < 5)
102
TPSA
Good oral absorption (< 140 A²)
2
H-Bond Donors
5
H-Bond Acceptors
756
Complexity
SMILES
Canonical SMILES
SMILES: C=CC(=O)N1CCC(CC1)C2CCNC3=C(C(=NN23)C4=CC=C(C=C4)OC5=CC=CC=C5)C(=O)NIsomeric SMILES
SMILES: C=CC(=O)N1CCC(CC1)[C@@H]2CCNC3=C(C(=NN23)C4=CC=C(C=C4)OC5=CC=CC=C5)C(=O)NSynonyms(20)
Zanubrutinib1691249-45-2BrukinsaBGB-3111AG9MHG098Z(7S)-2-(4-phenoxyphenyl)-7-(1-prop-2-enoylpiperidin-4-yl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide(7S)-2-(4-PHENOXYPHENYL)-7-[1-(PROP-2-ENOYL)PIPERIDIN-4-YL]-4H,5H,6H,7H-PYRAZOLO[1,5-A]PYRIMIDINE-3-CARBOXAMIDE(S)-7-(1-Acryloylpiperidin-4-yl)-2-(4-phenoxyphenyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide(7S)-2-(4-Phenoxyphenyl)-7-(1-(prop-2-enoyl)piperidin-4-yl)-4,5,6,7-tetrahydropyrazolo(1,5-a)pyrimidine-3-carboxamideDTXSID701026208(7S)-4,5,6,7-Tetrahydro-7-[1-(1-oxo-2-propen-1-yl)-4-piperidinyl]-2-(4-phenoxyphenyl)pyrazolo[1,5-a]pyrimidine-3-carboxamidePyrazolo(1,5-a)pyrimidine-3-carboxamide, 4,5,6,7-tetrahydro-7-(1-(1-oxo-2-propen-1-yl)-4-piperidinyl)-2-(4-phenoxyphenyl)-, (7S)-Pyrazolo[1,5-a]pyrimidine-3-carboxamide, 4,5,6,7-tetrahydro-7-[1-(1-oxo-2-propen-1-yl)-4-piperidinyl]-2-(4-phenoxyphenyl)-, (7S)-zanubrutinibum(7S)-2-(4-phenoxyphenyl)-7-(1-(prop-2-enoyl)piperidin-4-yl)-4H,5H,6H,7H-pyrazolo(1,5-a)pyrimidine-3-carboxamide
Data from PubChem (NCBI)
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