N-(2-methoxyethyl)-1-(3-methylbutyl)-5-(1H-pyrazol-3-ylmethyl)-1H,4H,5H,6H,7H-pyrazolo[4,3-c]pyridine-3-carboxamide

• ChemBase ID: 854621
• Molecular Formular: C19H30N6O2
• Molecular Mass: 374.4805
• Monoisotopic Mass: 374.24302423
• SMILES: c12c(nn(c1CCN(C2)Cc1n[nH]cc1)CCC(C)C)C(=O)NCCOC
• Canonical SMILES: COCCNC(=O)c1nn(c2c1CN(CC2)Cc1n[nH]cc1)CCC(C)C
• InChI: InChI=1S/C19H30N6O2/c1-14(2)5-10-25-17-6-9-24(12-15-4-7-21-22-15)13-16(17)18(23-25)19(26)20-8-11-27-3/h4,7,14H,5-6,8-13H2,1-3H3,(H,20,26)(H,21,22)
• InChIKey: WNWUFMPWWYZYEW-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(2-methoxyethyl)-1-(3-methylbutyl)-5-(1H-pyrazol-3-ylmethyl)-1H,4H,5H,6H,7H-pyrazolo[4,3-c]pyridine-3-carboxamide
• IUPAC Traditional name: N-(2-methoxyethyl)-1-(3-methylbutyl)-5-(1H-pyrazol-3-ylmethyl)-4H,6H,7H-pyrazolo[4,3-c]pyridine-3-carboxamide
• Synonyms: N-(2-methoxyethyl)-1-(3-methylbutyl)-5-(1H-pyrazol-3-ylmethyl)-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridine-3-carboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 13.832668
• H Acceptors: 5
• H Donor: 2
• LogD (pH = 5.5): 0.80832154
• LogD (pH = 7.4): 1.1997489
• Log P: 1.2079291
• Molar Refractivity: 117.6482 cm^3
• Polarizability: 39.825264 Å^3
• Polar Surface Area: 88.07 Å^2
• Rotatable Bonds: 9
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 6
• H Donor: 2
• Log P: 1.35
• LOG S: -3.56
• Polar Surface Area: 88.07 Å^2
• Rotatable Bonds: 7