1-[(1-{5,7-dimethylpyrido[2,3-d]pyrimidin-4-yl}piperidin-3-yl)methyl]pyrrolidin-2-one

• ChemBase ID: 842115
• Molecular Formular: C19H25N5O
• Molecular Mass: 339.4347
• Monoisotopic Mass: 339.20591045
• SMILES: c12c(N3CC(CN4C(=O)CCC4)CCC3)ncnc1nc(cc2C)C
• Canonical SMILES: O=C1CCCN1CC1CCCN(C1)c1ncnc2c1c(C)cc(n2)C
• InChI: InChI=1S/C19H25N5O/c1-13-9-14(2)22-18-17(13)19(21-12-20-18)24-8-3-5-15(11-24)10-23-7-4-6-16(23)25/h9,12,15H,3-8,10-11H2,1-2H3
• InChIKey: WAMBUZMKJQHBGW-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-[(1-{5,7-dimethylpyrido[2,3-d]pyrimidin-4-yl}piperidin-3-yl)methyl]pyrrolidin-2-one
• IUPAC Traditional name: 1-[(1-{5,7-dimethylpyrido[2,3-d]pyrimidin-4-yl}piperidin-3-yl)methyl]pyrrolidin-2-one
• Synonyms: 1-{[1-(5,7-dimethylpyrido[2,3-d]pyrimidin-4-yl)piperidin-3-yl]methyl}pyrrolidin-2-one

CALCULATED PROPERTIES

JChem

• H Acceptors: 5
• H Donor: 0
• LogD (pH = 5.5): 1.8541967
• LogD (pH = 7.4): 1.8624424
• Log P: 1.8625485
• Molar Refractivity: 99.928 cm^3
• Polarizability: 37.31509 Å^3
• Polar Surface Area: 62.22 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 0
• Log P: 1.0
• LOG S: -2.53
• Polar Surface Area: 62.22 Å^2
• Rotatable Bonds: 3