7-(cyclopropylmethyl)-2-{4-oxo-4H-pyrido[1,2-a]pyrimidine-3-carbonyl}-2,7-diazaspiro[4.5]decan-6-one

• ChemBase ID: 724008
• Molecular Formular: C21H24N4O3
• Molecular Mass: 380.44026
• Monoisotopic Mass: 380.18484065
• SMILES: c1(c(=O)n2c(nc1)cccc2)C(=O)N1CC2(C(=O)N(CC3CC3)CCC2)CC1
• Canonical SMILES: O=C1N(CCCC21CCN(C2)C(=O)c1cnc2n(c1=O)cccc2)CC1CC1
• InChI: InChI=1S/C21H24N4O3/c26-18(16-12-22-17-4-1-2-10-25(17)19(16)27)24-11-8-21(14-24)7-3-9-23(20(21)28)13-15-5-6-15/h1-2,4,10,12,15H,3,5-9,11,13-14H2
• InChIKey: AETRPJUIELGNSS-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 7-(cyclopropylmethyl)-2-{4-oxo-4H-pyrido[1,2-a]pyrimidine-3-carbonyl}-2,7-diazaspiro[4.5]decan-6-one
• IUPAC Traditional name: 7-(cyclopropylmethyl)-2-{4-oxopyrido[1,2-a]pyrimidine-3-carbonyl}-2,7-diazaspiro[4.5]decan-6-one
• Synonyms: 3-{[7-(cyclopropylmethyl)-6-oxo-2,7-diazaspiro[4.5]dec-2-yl]carbonyl}-4H-pyrido[1,2-a]pyrimidin-4-one

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 0.49820343
• LogD (pH = 7.4): 0.49820518
• Log P: 0.49820518
• Molar Refractivity: 105.1739 cm^3
• Polarizability: 39.42464 Å^3
• Polar Surface Area: 73.29 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: 0.27
• LOG S: -3.51
• Polar Surface Area: 74.99 Å^2
• Rotatable Bonds: 3