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

• ChemBase ID: 430753
• Molecular Formular: C21H30N4O2
• Molecular Mass: 370.4885
• Monoisotopic Mass: 370.23687622
• SMILES: c1(c2c(n(n1)CC)CCC(C2)NC1CCCC1)C(=O)N(Cc1occc1)C
• Canonical SMILES: CCn1nc(c2c1CCC(C2)NC1CCCC1)C(=O)N(Cc1ccco1)C
• InChI: InChI=1S/C21H30N4O2/c1-3-25-19-11-10-16(22-15-7-4-5-8-15)13-18(19)20(23-25)21(26)24(2)14-17-9-6-12-27-17/h6,9,12,15-16,22H,3-5,7-8,10-11,13-14H2,1-2H3
• InChIKey: TXRHLGFXEMCOQW-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -0.4829493
• LogD (pH = 7.4): 0.21269928
• Log P: 2.7365062
• Molar Refractivity: 117.2418 cm^3
• Polarizability: 40.211758 Å^3
• Polar Surface Area: 63.3 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 1
• Log P: 2.01
• LOG S: -4.14
• Polar Surface Area: 63.3 Å^2
• Rotatable Bonds: 5