N-(furan-2-ylmethyl)-5-{[(3-methoxyphenyl)methyl](methyl)amino}-N,1-dimethyl-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide

• ChemBase ID: 575218
• Molecular Formular: C24H30N4O3
• Molecular Mass: 422.52
• Monoisotopic Mass: 422.23179084
• SMILES: c1(c2c(n(n1)C)CCC(C2)N(Cc1cc(OC)ccc1)C)C(=O)N(Cc1occc1)C
• Canonical SMILES: COc1cccc(c1)CN(C1CCc2c(C1)c(nn2C)C(=O)N(Cc1ccco1)C)C
• InChI: InChI=1S/C24H30N4O3/c1-26(15-17-7-5-8-19(13-17)30-4)18-10-11-22-21(14-18)23(25-28(22)3)24(29)27(2)16-20-9-6-12-31-20/h5-9,12-13,18H,10-11,14-16H2,1-4H3
• InChIKey: XYMWWXLRMLERMO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(furan-2-ylmethyl)-5-{[(3-methoxyphenyl)methyl](methyl)amino}-N,1-dimethyl-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide
• IUPAC Traditional name: N-(furan-2-ylmethyl)-5-{[(3-methoxyphenyl)methyl](methyl)amino}-N,1-dimethyl-4,5,6,7-tetrahydroindazole-3-carboxamide
• Synonyms: N-(2-furylmethyl)-5-[(3-methoxybenzyl)(methyl)amino]-N,1-dimethyl-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): -0.21886526
• LogD (pH = 7.4): 1.3811297
• Log P: 2.9748461
• Molar Refractivity: 132.4505 cm^3
• Polarizability: 45.681515 Å^3
• Polar Surface Area: 63.74 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 6
• H Donor: 0
• Log P: 2.42
• LOG S: -3.55
• Polar Surface Area: 63.74 Å^2
• Rotatable Bonds: 6