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

• ChemBase ID: 693336
• Molecular Formular: C28H28N6O2
• Molecular Mass: 480.56092
• Monoisotopic Mass: 480.22737417
• SMILES: c12c(nn(c1CCN(C2)C(=O)c1ccncc1)Cc1ccncc1)C(=O)NCCCc1ccccc1
• Canonical SMILES: O=C(N1CCc2c(C1)c(nn2Cc1ccncc1)C(=O)NCCCc1ccccc1)c1ccncc1
• InChI: InChI=1S/C28H28N6O2/c35-27(31-13-4-7-21-5-2-1-3-6-21)26-24-20-33(28(36)23-10-16-30-17-11-23)18-12-25(24)34(32-26)19-22-8-14-29-15-9-22/h1-3,5-6,8-11,14-17H,4,7,12-13,18-20H2,(H,31,35)
• InChIKey: NZMZAODNECXVRZ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• Acid pKa: 13.989511
• H Acceptors: 5
• H Donor: 1
• LogD (pH = 5.5): 2.1861892
• LogD (pH = 7.4): 2.3589027
• Log P: 2.3617575
• Molar Refractivity: 149.6138 cm^3
• Polarizability: 51.871853 Å^3
• Polar Surface Area: 93.01 Å^2
• Rotatable Bonds: 8
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 6
• H Donor: 1
• Log P: 1.9
• LOG S: -6.75
• Polar Surface Area: 93.01 Å^2
• Rotatable Bonds: 8