US11685744, Example 56
2-[5-fluoro-2-[[5-(1-methylpiperidin-4-yl)-2-pyridinyl]amino]pyrimidin-4-yl]-3,5-dimethyl-7-propan-2-ylthieno[3,2-c]pyridin-4-one
Molecular Identity
US11685744, Example 56
2-[5-fluoro-2-[[5-(1-methylpiperidin-4-yl)-2-pyridinyl]amino]pyrimidin-4-yl]-3,5-dimethyl-7-propan-2-ylthieno[3,2-c]pyridin-4-one
PubChem CID: 164709790
2D Structure
Properties
C27H31FN6OS
Molecular Formula
506.60
Molecular Weight
g/mol
506.2264
Exact Mass
Da
4.1
XLogP
Drug-like (Lipinski: < 5)
102
TPSA
Good oral absorption (< 140 A²)
1
H-Bond Donors
8
H-Bond Acceptors
820
Complexity
SMILES
Canonical SMILES
SMILES: CC1=C(SC2=C1C(=O)N(C=C2C(C)C)C)C3=NC(=NC=C3F)NC4=NC=C(C=C4)C5CCN(CC5)CIsomeric SMILES
SMILES: CC1=C(SC2=C1C(=O)N(C=C2C(C)C)C)C3=NC(=NC=C3F)NC4=NC=C(C=C4)C5CCN(CC5)CSynonyms(12)
PRT3645CHEMBL5798981SCHEMBL24322142SCHEMBL29514940GTPL14268BDBM607029PRT-3645US11685744, Example 56EX-A16828Example 56 [WO2022061273]2-[5-fluoro-2-[[5-(1-methylpiperidin-4-yl)-2-pyridinyl]amino]pyrimidin-4-yl]-3,5-dimethyl-7-propan-2-ylthieno[3,2-c]pyridin-4-one2764984-10-1
Data from PubChem (NCBI)
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