Cdk4/6-IN-2
5-[(4-ethylpiperazin-1-yl)methyl]-N-[5-fluoro-4-(7-fluoro-2-methyl-3-propan-2-ylbenzimidazol-5-yl)-2-pyridinyl]pyrimidin-2-amine
Molecular Identity
Cdk4/6-IN-2
5-[(4-ethylpiperazin-1-yl)methyl]-N-[5-fluoro-4-(7-fluoro-2-methyl-3-propan-2-ylbenzimidazol-5-yl)-2-pyridinyl]pyrimidin-2-amine
PubChem CID: 91820696
2D Structure
Properties
C27H32F2N8
Molecular Formula
506.60
Molecular Weight
g/mol
506.2718
Exact Mass
Da
3.8
XLogP
Drug-like (Lipinski: < 5)
75
TPSA
Good oral absorption (< 140 A²)
1
H-Bond Donors
9
H-Bond Acceptors
715
Complexity
SMILES
Canonical SMILES
SMILES: CCN1CCN(CC1)CC2=CN=C(N=C2)NC3=NC=C(C(=C3)C4=CC5=C(C(=C4)F)N=C(N5C(C)C)C)FIsomeric SMILES
SMILES: CCN1CCN(CC1)CC2=CN=C(N=C2)NC3=NC=C(C(=C3)C4=CC5=C(C(=C4)F)N=C(N5C(C)C)C)FSynonyms(20)
CDK4/6-IN-21800506-48-25-((4-Ethylpiperazin-1-yl)methyl)-N-(5-fluoro-4-(4-fluoro-1-isopropyl-2-methyl-1H-benzo[d]imidazol-6-yl)pyridin-2-yl)pyrimidin-2-amine5-[(4-ethylpiperazin-1-yl)methyl]-N-[5-fluoro-4-(7-fluoro-2-methyl-3-propan-2-ylbenzimidazol-5-yl)pyridin-2-yl]pyrimidin-2-aminebireociclibXuan Yuening (China)orb1218604orb1309852SCHEMBL16891967SCHEMBL29710024GTPL14404XZP3287AXC50648XZP-3287EX-A10504
Data from PubChem (NCBI)
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