1-ethyl-N-(furan-2-ylmethyl)-N-methyl-5-(morpholin-4-yl)-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide

• ChemBase ID: 560044
• Molecular Formular: C20H28N4O3
• Molecular Mass: 372.46132
• Monoisotopic Mass: 372.21614078
• SMILES: c1(c2c(n(n1)CC)CCC(C2)N1CCOCC1)C(=O)N(Cc1occc1)C
• Canonical SMILES: CCn1nc(c2c1CCC(C2)N1CCOCC1)C(=O)N(Cc1ccco1)C
• InChI: InChI=1S/C20H28N4O3/c1-3-24-18-7-6-15(23-8-11-26-12-9-23)13-17(18)19(21-24)20(25)22(2)14-16-5-4-10-27-16/h4-5,10,15H,3,6-9,11-14H2,1-2H3
• InChIKey: OKCNRYVXEVKOGO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 0.5090071
• LogD (pH = 7.4): 1.4952021
• Log P: 1.5463518
• Molar Refractivity: 115.1978 cm^3
• Polarizability: 39.086197 Å^3
• Polar Surface Area: 63.74 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 6
• H Donor: 0
• Log P: 1.15
• LOG S: -2.09
• Polar Surface Area: 63.74 Å^2
• Rotatable Bonds: 4