1-ethyl-N-(furan-3-ylmethyl)-5-[(2-methoxyethyl)(methyl)amino]-N-methyl-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide

• ChemBase ID: 528576
• Molecular Formular: C20H30N4O3
• Molecular Mass: 374.4772
• Monoisotopic Mass: 374.23179084
• SMILES: c1(c2c(n(n1)CC)CCC(C2)N(CCOC)C)C(=O)N(Cc1cocc1)C
• Canonical SMILES: COCCN(C1CCc2c(C1)c(nn2CC)C(=O)N(Cc1ccoc1)C)C
• InChI: InChI=1S/C20H30N4O3/c1-5-24-18-7-6-16(22(2)9-11-26-4)12-17(18)19(21-24)20(25)23(3)13-15-8-10-27-14-15/h8,10,14,16H,5-7,9,11-13H2,1-4H3
• InChIKey: SRELUFCQFZDLKC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): -1.1424118
• LogD (pH = 7.4): 0.59282583
• Log P: 1.7978756
• Molar Refractivity: 117.2893 cm^3
• Polarizability: 39.80575 Å^3
• Polar Surface Area: 63.74 Å^2
• Rotatable Bonds: 8
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 6
• H Donor: 0
• Log P: 1.28
• LOG S: -1.8
• Polar Surface Area: 63.74 Å^2
• Rotatable Bonds: 6