1-(cyclopropylmethyl)-N-ethyl-5-(1H-indol-3-ylmethyl)-1H,4H,5H,6H,7H-pyrazolo[4,3-c]pyridine-3-carboxamide

• ChemBase ID: 574499
• Molecular Formular: C22H27N5O
• Molecular Mass: 377.48268
• Monoisotopic Mass: 377.22156051
• SMILES: c12c(nn(c1CCN(C2)Cc1c[nH]c2c1cccc2)CC1CC1)C(=O)NCC
• Canonical SMILES: CCNC(=O)c1nn(c2c1CN(CC2)Cc1c[nH]c2c1cccc2)CC1CC1
• InChI: InChI=1S/C22H27N5O/c1-2-23-22(28)21-18-14-26(10-9-20(18)27(25-21)12-15-7-8-15)13-16-11-24-19-6-4-3-5-17(16)19/h3-6,11,15,24H,2,7-10,12-14H2,1H3,(H,23,28)
• InChIKey: JLCZWXYHTZEZQB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(cyclopropylmethyl)-N-ethyl-5-(1H-indol-3-ylmethyl)-1H,4H,5H,6H,7H-pyrazolo[4,3-c]pyridine-3-carboxamide
• IUPAC Traditional name: 1-(cyclopropylmethyl)-N-ethyl-5-(1H-indol-3-ylmethyl)-4H,6H,7H-pyrazolo[4,3-c]pyridine-3-carboxamide
• Synonyms: 1-(cyclopropylmethyl)-N-ethyl-5-(1H-indol-3-ylmethyl)-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridine-3-carboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 14.112068
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): 0.4031217
• LogD (pH = 7.4): 2.0791485
• Log P: 2.4944777
• Molar Refractivity: 122.7944 cm^3
• Polarizability: 43.100605 Å^3
• Polar Surface Area: 65.95 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 2
• Log P: 2.69
• LOG S: -5.07
• Polar Surface Area: 65.95 Å^2
• Rotatable Bonds: 5