8-{2-methylpyrido[2,3-d]pyrimidin-4-yl}-2-(propan-2-yl)-2,8-diazaspiro[5.5]undecan-3-one

• ChemBase ID: 446635
• Molecular Formular: C20H27N5O
• Molecular Mass: 353.46128
• Monoisotopic Mass: 353.22156051
• SMILES: c1(N2CC3(CN(C(=O)CC3)C(C)C)CCC2)c2c(nc(n1)C)nccc2
• Canonical SMILES: CC(N1CC2(CCCN(C2)c2nc(C)nc3c2cccn3)CCC1=O)C
• InChI: InChI=1S/C20H27N5O/c1-14(2)25-13-20(9-7-17(25)26)8-5-11-24(12-20)19-16-6-4-10-21-18(16)22-15(3)23-19/h4,6,10,14H,5,7-9,11-13H2,1-3H3
• InChIKey: WIMFSNPHXITCLF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 8-{2-methylpyrido[2,3-d]pyrimidin-4-yl}-2-(propan-2-yl)-2,8-diazaspiro[5.5]undecan-3-one
• IUPAC Traditional name: 2-isopropyl-8-{2-methylpyrido[2,3-d]pyrimidin-4-yl}-2,8-diazaspiro[5.5]undecan-3-one
• Synonyms: 2-isopropyl-8-(2-methylpyrido[2,3-d]pyrimidin-4-yl)-2,8-diazaspiro[5.5]undecan-3-one

CALCULATED PROPERTIES

JChem

• H Acceptors: 5
• H Donor: 0
• LogD (pH = 5.5): 2.7993739
• LogD (pH = 7.4): 2.7994225
• Log P: 2.799423
• Molar Refractivity: 103.7584 cm^3
• Polarizability: 39.23455 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: 0.68
• LOG S: -2.36
• Polar Surface Area: 62.22 Å^2
• Rotatable Bonds: 2