1-(cyclopropylmethyl)-N-ethyl-5-[2-(2H-indazol-2-yl)acetyl]-1H,4H,5H,6H,7H-pyrazolo[4,3-c]pyridine-3-carboxamide

• ChemBase ID: 403604
• Molecular Formular: C22H26N6O2
• Molecular Mass: 406.48084
• Monoisotopic Mass: 406.2117241
• SMILES: c12c(nn(c1CCN(C2)C(=O)Cn1nc2c(c1)cccc2)CC1CC1)C(=O)NCC
• Canonical SMILES: CCNC(=O)c1nn(c2c1CN(CC2)C(=O)Cn1cc2c(n1)cccc2)CC1CC1
• InChI: InChI=1S/C22H26N6O2/c1-2-23-22(30)21-17-13-26(10-9-19(17)28(25-21)11-15-7-8-15)20(29)14-27-12-16-5-3-4-6-18(16)24-27/h3-6,12,15H,2,7-11,13-14H2,1H3,(H,23,30)
• InChIKey: DXRDNYKBNYAJCY-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(cyclopropylmethyl)-N-ethyl-5-[2-(2H-indazol-2-yl)acetyl]-1H,4H,5H,6H,7H-pyrazolo[4,3-c]pyridine-3-carboxamide
• IUPAC Traditional name: 1-(cyclopropylmethyl)-N-ethyl-5-[2-(indazol-2-yl)acetyl]-4H,6H,7H-pyrazolo[4,3-c]pyridine-3-carboxamide
• Synonyms: 1-(cyclopropylmethyl)-N-ethyl-5-(2H-indazol-2-ylacetyl)-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridine-3-carboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 14.001772
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 1.3758832
• LogD (pH = 7.4): 1.3758987
• Log P: 1.3758991
• Molar Refractivity: 135.847 cm^3
• Polarizability: 43.814423 Å^3
• Polar Surface Area: 85.05 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: 1.42
• LOG S: -5.54
• Polar Surface Area: 85.05 Å^2
• Rotatable Bonds: 5