N-[1-(2,3-dihydro-1H-inden-2-yl)piperidin-3-yl]-N-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidine-3-carboxamide

• ChemBase ID: 439035
• Molecular Formular: C24H26N4O2
• Molecular Mass: 402.48884
• Monoisotopic Mass: 402.20557609
• SMILES: c1(c(=O)n2c(nc1)cccc2)C(=O)N(C1CN(C2Cc3c(C2)cccc3)CCC1)C
• Canonical SMILES: CN(C(=O)c1cnc2n(c1=O)cccc2)C1CCCN(C1)C1Cc2c(C1)cccc2
• InChI: InChI=1S/C24H26N4O2/c1-26(23(29)21-15-25-22-10-4-5-12-28(22)24(21)30)19-9-6-11-27(16-19)20-13-17-7-2-3-8-18(17)14-20/h2-5,7-8,10,12,15,19-20H,6,9,11,13-14,16H2,1H3
• InChIKey: XTWWKJJTZSSCEO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[1-(2,3-dihydro-1H-inden-2-yl)piperidin-3-yl]-N-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidine-3-carboxamide
• IUPAC Traditional name: N-[1-(2,3-dihydro-1H-inden-2-yl)piperidin-3-yl]-N-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
• Synonyms: N-[1-(2,3-dihydro-1H-inden-2-yl)-3-piperidinyl]-N-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidine-3-carboxamide

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): -0.81393886
• LogD (pH = 7.4): 0.8007491
• Log P: 2.3627179
• Molar Refractivity: 118.1967 cm^3
• Polarizability: 44.351776 Å^3
• Polar Surface Area: 56.22 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: 1.34
• LOG S: -3.32
• Polar Surface Area: 57.92 Å^2
• Rotatable Bonds: 3