N-{[1-(2,3-dihydro-1H-inden-2-yl)piperidin-3-yl]methyl}-N-(2-methoxyethyl)-1-methyl-6-oxo-1,6-dihydropyridazine-3-carboxamide

• ChemBase ID: 551233
• Molecular Formular: C24H32N4O3
• Molecular Mass: 424.53588
• Monoisotopic Mass: 424.2474409
• SMILES: c1(nn(c(=O)cc1)C)C(=O)N(CC1CN(C2Cc3c(C2)cccc3)CCC1)CCOC
• Canonical SMILES: COCCN(C(=O)c1ccc(=O)n(n1)C)CC1CCCN(C1)C1Cc2c(C1)cccc2
• InChI: InChI=1S/C24H32N4O3/c1-26-23(29)10-9-22(25-26)24(30)28(12-13-31-2)17-18-6-5-11-27(16-18)21-14-19-7-3-4-8-20(19)15-21/h3-4,7-10,18,21H,5-6,11-17H2,1-2H3
• InChIKey: LCEFASRTRCSARH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-{[1-(2,3-dihydro-1H-inden-2-yl)piperidin-3-yl]methyl}-N-(2-methoxyethyl)-1-methyl-6-oxo-1,6-dihydropyridazine-3-carboxamide
• IUPAC Traditional name: N-{[1-(2,3-dihydro-1H-inden-2-yl)piperidin-3-yl]methyl}-N-(2-methoxyethyl)-1-methyl-6-oxopyridazine-3-carboxamide
• Synonyms: N-{[1-(2,3-dihydro-1H-inden-2-yl)-3-piperidinyl]methyl}-N-(2-methoxyethyl)-1-methyl-6-oxo-1,6-dihydro-3-pyridazinecarboxamide

CALCULATED PROPERTIES

JChem

• H Acceptors: 5
• H Donor: 0
• LogD (pH = 5.5): -1.2660896
• LogD (pH = 7.4): 0.011236259
• Log P: 2.12156
• Molar Refractivity: 122.3058 cm^3
• Polarizability: 46.259327 Å^3
• Polar Surface Area: 65.45 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 0
• Log P: 0.67
• LOG S: -4.28
• Polar Surface Area: 67.67 Å^2
• Rotatable Bonds: 6