1-{5,7-dimethylpyrido[2,3-d]pyrimidin-4-yl}-4-(1H-imidazol-1-ylmethyl)piperidin-4-ol

• ChemBase ID: 692111
• Molecular Formular: C18H22N6O
• Molecular Mass: 338.40688
• Monoisotopic Mass: 338.18550935
• SMILES: c12c(nc(cc2C)C)ncnc1N1CCC(CC1)(Cn1cncc1)O
• Canonical SMILES: Cc1cc(C)c2c(n1)ncnc2N1CCC(CC1)(O)Cn1cncc1
• InChI: InChI=1S/C18H22N6O/c1-13-9-14(2)22-16-15(13)17(21-11-20-16)24-6-3-18(25,4-7-24)10-23-8-5-19-12-23/h5,8-9,11-12,25H,3-4,6-7,10H2,1-2H3
• InChIKey: WQGPDAXVKGXOTP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-{5,7-dimethylpyrido[2,3-d]pyrimidin-4-yl}-4-(1H-imidazol-1-ylmethyl)piperidin-4-ol
• IUPAC Traditional name: 1-{5,7-dimethylpyrido[2,3-d]pyrimidin-4-yl}-4-(imidazol-1-ylmethyl)piperidin-4-ol
• Synonyms: 1-(5,7-dimethylpyrido[2,3-d]pyrimidin-4-yl)-4-(1H-imidazol-1-ylmethyl)piperidin-4-ol

CALCULATED PROPERTIES

JChem

• Acid pKa: 14.251737
• H Acceptors: 6
• H Donor: 1
• LogD (pH = 5.5): 0.48980892
• LogD (pH = 7.4): 0.9625591
• Log P: 1.0284429
• Molar Refractivity: 98.1456 cm^3
• Polarizability: 36.420177 Å^3
• Polar Surface Area: 79.96 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 1
• Log P: 0.21
• LOG S: -3.16
• Polar Surface Area: 79.96 Å^2
• Rotatable Bonds: 3