Biib-068
N-[[2-methyl-4-[2-[(1-methylpyrazol-4-yl)amino]pyrimidin-4-yl]phenyl]methyl]-3-propan-2-yloxyazetidine-1-carboxamide
Molecular Identity
Biib-068
N-[[2-methyl-4-[2-[(1-methylpyrazol-4-yl)amino]pyrimidin-4-yl]phenyl]methyl]-3-propan-2-yloxyazetidine-1-carboxamide
PubChem CID: 118139356
2D Structure
Properties
C23H29N7O2
Molecular Formula
435.50
Molecular Weight
g/mol
435.2383
Exact Mass
Da
2
XLogP
Drug-like (Lipinski: < 5)
97.2
TPSA
Good oral absorption (< 140 A²)
2
H-Bond Donors
6
H-Bond Acceptors
615
Complexity
SMILES
Canonical SMILES
SMILES: CC1=C(C=CC(=C1)C2=NC(=NC=C2)NC3=CN(N=C3)C)CNC(=O)N4CC(C4)OC(C)CIsomeric SMILES
SMILES: CC1=C(C=CC(=C1)C2=NC(=NC=C2)NC3=CN(N=C3)C)CNC(=O)N4CC(C4)OC(C)CSynonyms(20)
BIIB0681798787-27-5BIIB-0681-Azetidinecarboxamide, 3-(1-methylethoxy)-N-[[2-methyl-4-[2-[(1-methyl-1H-pyrazol-4-yl)amino]-4-pyrimidinyl]phenyl]methyl]-M6RN4LQ25SN-[[2-methyl-4-[2-[(1-methylpyrazol-4-yl)amino]pyrimidin-4-yl]phenyl]methyl]-3-propan-2-yloxyazetidine-1-carboxamidecompound 1 [PMID: 32696648]1-Azetidinecarboxamide, 3-(1-methylethoxy)-N-((2-methyl-4-(2-((1-methyl-1H-pyrazol-4-yl)amino)-4-pyrimidinyl)phenyl)methyl)-3-(1-Methylethoxy)-N-((2-methyl-4-(2-((1-methyl-1H-pyrazol-4-yl)amino)-4-pyrimidinyl)phenyl)methyl)-1-azetidinecarboxamide3-Isopropoxy-N-(2-methyl-4-(2-((1-methyl-1hpyrazol-4-yl)amino)pyrimidin-4-yl)benzyl)azetidine-1-carboxamidecompound 1 (PMID: 32696648)N-((2-methyl-4-(2-((1-methylpyrazol-4-yl)amino)pyrimidin-4-yl)phenyl)methyl)-3-propan-2-yloxyazetidine-1-carboxamideRefChem:1197873-isopropoxy-N-(2-methyl-4-(2-((1-methyl-1H-pyrazol-4-yl)amino)pyrimidin-4-yl)benzyl)azetidine-1-carboxamideCHEMBL4744041
Data from PubChem (NCBI)
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