1-(cyclopropylmethyl)-5-[(1,3-dimethyl-1H-pyrazol-4-yl)methyl]-N-ethyl-1H,4H,5H,6H,7H-pyrazolo[4,3-c]pyridine-3-carboxamide

• ChemBase ID: 391035
• Molecular Formular: C19H28N6O
• Molecular Mass: 356.46522
• Monoisotopic Mass: 356.23245955
• SMILES: c12c(nn(c1CCN(C2)Cc1c(nn(c1)C)C)CC1CC1)C(=O)NCC
• Canonical SMILES: CCNC(=O)c1nn(c2c1CN(CC2)Cc1cn(nc1C)C)CC1CC1
• InChI: InChI=1S/C19H28N6O/c1-4-20-19(26)18-16-12-24(11-15-10-23(3)21-13(15)2)8-7-17(16)25(22-18)9-14-5-6-14/h10,14H,4-9,11-12H2,1-3H3,(H,20,26)
• InChIKey: HBDBIKAHIXLMRJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(cyclopropylmethyl)-5-[(1,3-dimethyl-1H-pyrazol-4-yl)methyl]-N-ethyl-1H,4H,5H,6H,7H-pyrazolo[4,3-c]pyridine-3-carboxamide
• IUPAC Traditional name: 1-(cyclopropylmethyl)-5-[(1,3-dimethylpyrazol-4-yl)methyl]-N-ethyl-4H,6H,7H-pyrazolo[4,3-c]pyridine-3-carboxamide
• Synonyms: 1-(cyclopropylmethyl)-5-[(1,3-dimethyl-1H-pyrazol-4-yl)methyl]-N-ethyl-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridine-3-carboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 14.118092
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): -0.2920817
• LogD (pH = 7.4): 0.87188
• Log P: 0.95494604
• Molar Refractivity: 125.2028 cm^3
• Polarizability: 38.232895 Å^3
• Polar Surface Area: 67.98 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 6
• H Donor: 1
• Log P: 1.03
• LOG S: -4.49
• Polar Surface Area: 67.98 Å^2
• Rotatable Bonds: 5