1-(cyclopropylmethyl)-5-(4-methylpentanoyl)-N-(pyridin-2-ylmethyl)-1H,4H,5H,6H,7H-pyrazolo[4,3-c]pyridine-3-carboxamide

• ChemBase ID: 360544
• Molecular Formular: C23H31N5O2
• Molecular Mass: 409.52454
• Monoisotopic Mass: 409.24777526
• SMILES: c12c(nn(c1CCN(C2)C(=O)CCC(C)C)CC1CC1)C(=O)NCc1ncccc1
• Canonical SMILES: CC(CCC(=O)N1CCc2c(C1)c(nn2CC1CC1)C(=O)NCc1ccccn1)C
• InChI: InChI=1S/C23H31N5O2/c1-16(2)6-9-21(29)27-12-10-20-19(15-27)22(26-28(20)14-17-7-8-17)23(30)25-13-18-5-3-4-11-24-18/h3-5,11,16-17H,6-10,12-15H2,1-2H3,(H,25,30)
• InChIKey: RULCVCRKDLUQRG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(cyclopropylmethyl)-5-(4-methylpentanoyl)-N-(pyridin-2-ylmethyl)-1H,4H,5H,6H,7H-pyrazolo[4,3-c]pyridine-3-carboxamide
• IUPAC Traditional name: 1-(cyclopropylmethyl)-5-(4-methylpentanoyl)-N-(pyridin-2-ylmethyl)-4H,6H,7H-pyrazolo[4,3-c]pyridine-3-carboxamide
• Synonyms: 1-(cyclopropylmethyl)-5-(4-methylpentanoyl)-N-(2-pyridinylmethyl)-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridine-3-carboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 13.839206
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 1.9883244
• LogD (pH = 7.4): 2.0060625
• Log P: 2.006294
• Molar Refractivity: 126.9289 cm^3
• Polarizability: 44.127533 Å^3
• Polar Surface Area: 80.12 Å^2
• Rotatable Bonds: 8
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 1
• Log P: 1.24
• LOG S: -5.91
• Polar Surface Area: 80.12 Å^2
• Rotatable Bonds: 7