CP-690,550
3-[(4R)-4-methyl-3-[methyl(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]cyclohexyl]-3-oxopropanenitrile
Molecular Identity
CP-690,550
3-[(4R)-4-methyl-3-[methyl(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]cyclohexyl]-3-oxopropanenitrile
PubChem CID: 54592163
2D Structure
Properties
C17H21N5O
Molecular Formula
311.40
Molecular Weight
g/mol
311.1746
Exact Mass
Da
2.4
XLogP
Drug-like (Lipinski: < 5)
85.7
TPSA
Good oral absorption (< 140 A²)
1
H-Bond Donors
5
H-Bond Acceptors
487
Complexity
SMILES
Canonical SMILES
SMILES: CC1CCC(CC1N(C)C2=NC=NC3=C2C=CN3)C(=O)CC#NIsomeric SMILES
SMILES: C[C@@H]1CCC(CC1N(C)C2=NC=NC3=C2C=CN3)C(=O)CC#NSynonyms(4)
RefChem:919135CP 690,550CP-690,550BDBM81442
Data from PubChem (NCBI)
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