N-[(8-{5,7-dimethylpyrido[2,3-d]pyrimidin-4-yl}-1-oxa-8-azaspiro[4.5]decan-2-yl)methyl]acetamide

• ChemBase ID: 425069
• Molecular Formular: C20H27N5O2
• Molecular Mass: 369.46068
• Monoisotopic Mass: 369.21647513
• SMILES: c12c(nc(cc2C)C)ncnc1N1CCC2(OC(CNC(=O)C)CC2)CC1
• Canonical SMILES: CC(=O)NCC1CCC2(O1)CCN(CC2)c1ncnc2c1c(C)cc(n2)C
• InChI: InChI=1S/C20H27N5O2/c1-13-10-14(2)24-18-17(13)19(23-12-22-18)25-8-6-20(7-9-25)5-4-16(27-20)11-21-15(3)26/h10,12,16H,4-9,11H2,1-3H3,(H,21,26)
• InChIKey: DIPVSJCOYPJRSS-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[(8-{5,7-dimethylpyrido[2,3-d]pyrimidin-4-yl}-1-oxa-8-azaspiro[4.5]decan-2-yl)methyl]acetamide
• IUPAC Traditional name: N-[(8-{5,7-dimethylpyrido[2,3-d]pyrimidin-4-yl}-1-oxa-8-azaspiro[4.5]decan-2-yl)methyl]acetamide
• Synonyms: N-{[8-(5,7-dimethylpyrido[2,3-d]pyrimidin-4-yl)-1-oxa-8-azaspiro[4.5]dec-2-yl]methyl}acetamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 15.478975
• H Acceptors: 6
• H Donor: 1
• LogD (pH = 5.5): 1.243704
• LogD (pH = 7.4): 1.2519634
• Log P: 1.2520697
• Molar Refractivity: 105.5611 cm^3
• Polarizability: 39.85562 Å^3
• Polar Surface Area: 80.24 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: 0.03
• LOG S: -3.23
• Polar Surface Area: 80.24 Å^2
• Rotatable Bonds: 3