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

• ChemBase ID: 362744
• Molecular Formular: C18H26N4O3
• Molecular Mass: 346.42404
• Monoisotopic Mass: 346.20049071
• SMILES: c1(c2c(n(n1)C)CCC(C2)NCCOC)C(=O)NCc1oc(cc1)C
• Canonical SMILES: COCCNC1CCc2c(C1)c(nn2C)C(=O)NCc1ccc(o1)C
• InChI: InChI=1S/C18H26N4O3/c1-12-4-6-14(25-12)11-20-18(23)17-15-10-13(19-8-9-24-3)5-7-16(15)22(2)21-17/h4,6,13,19H,5,7-11H2,1-3H3,(H,20,23)
• InChIKey: SJHPNXVQMOCYEY-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• Acid pKa: 14.088389
• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): -2.1248493
• LogD (pH = 7.4): -0.72557336
• Log P: 0.95390606
• Molar Refractivity: 107.3765 cm^3
• Polarizability: 36.062138 Å^3
• Polar Surface Area: 81.32 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 6
• H Donor: 2
• Log P: 1.34
• LOG S: -3.99
• Polar Surface Area: 81.32 Å^2
• Rotatable Bonds: 6