1-{5,7-dimethylpyrido[2,3-d]pyrimidin-4-yl}-4-(pyrrolidine-1-carbonyl)piperidine

• ChemBase ID: 703971
• Molecular Formular: C19H25N5O
• Molecular Mass: 339.4347
• Monoisotopic Mass: 339.20591045
• SMILES: c12c(nc(cc2C)C)ncnc1N1CCC(C(=O)N2CCCC2)CC1
• Canonical SMILES: O=C(N1CCCC1)C1CCN(CC1)c1ncnc2c1c(C)cc(n2)C
• InChI: InChI=1S/C19H25N5O/c1-13-11-14(2)22-17-16(13)18(21-12-20-17)23-9-5-15(6-10-23)19(25)24-7-3-4-8-24/h11-12,15H,3-10H2,1-2H3
• InChIKey: SIDGXIPAEMKBMI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-{5,7-dimethylpyrido[2,3-d]pyrimidin-4-yl}-4-(pyrrolidine-1-carbonyl)piperidine
• IUPAC Traditional name: 1-{5,7-dimethylpyrido[2,3-d]pyrimidin-4-yl}-4-(pyrrolidine-1-carbonyl)piperidine
• Synonyms: 5,7-dimethyl-4-[4-(pyrrolidin-1-ylcarbonyl)piperidin-1-yl]pyrido[2,3-d]pyrimidine

CALCULATED PROPERTIES

JChem

• H Acceptors: 5
• H Donor: 0
• LogD (pH = 5.5): 1.9906194
• LogD (pH = 7.4): 1.9988986
• Log P: 1.9990052
• Molar Refractivity: 100.1297 cm^3
• Polarizability: 37.31509 Å^3
• Polar Surface Area: 62.22 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 0
• Log P: 1.22
• LOG S: -2.72
• Polar Surface Area: 62.22 Å^2
• Rotatable Bonds: 2