N-[3-(5-cyclopropyl-1H-pyrazol-1-yl)propyl]-1H,4H,5H,6H,7H-imidazo[4,5-c]pyridine-4-carboxamide

• ChemBase ID: 641813
• Molecular Formular: C16H22N6O
• Molecular Mass: 314.38548
• Monoisotopic Mass: 314.18550935
• SMILES: c12C(C(=O)NCCCn3c(C4CC4)ccn3)NCCc2[nH]cn1
• Canonical SMILES: O=C(C1NCCc2c1nc[nH]2)NCCCn1nccc1C1CC1
• InChI: InChI=1S/C16H22N6O/c23-16(15-14-12(4-7-17-15)19-10-20-14)18-6-1-9-22-13(5-8-21-22)11-2-3-11/h5,8,10-11,15,17H,1-4,6-7,9H2,(H,18,23)(H,19,20)
• InChIKey: AAGPYKCEVBBIJD-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[3-(5-cyclopropyl-1H-pyrazol-1-yl)propyl]-1H,4H,5H,6H,7H-imidazo[4,5-c]pyridine-4-carboxamide
• IUPAC Traditional name: N-[3-(5-cyclopropylpyrazol-1-yl)propyl]-1H,4H,5H,6H,7H-imidazo[4,5-c]pyridine-4-carboxamide
• Synonyms: N-[3-(5-cyclopropyl-1H-pyrazol-1-yl)propyl]-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine-4-carboxamide

CALCULATED PROPERTIES

JChem

• Polar Surface Area: 87.63 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true
• Acid pKa: 12.885919
• H Acceptors: 4
• H Donor: 3
• LogD (pH = 5.5): -1.6900332
• LogD (pH = 7.4): -0.55028766
• Log P: -0.45029253
• Molar Refractivity: 97.936 cm^3
• Polarizability: 33.09379 Å^3

供应商提供(Chembridge)

• Polar Surface Area: 87.63 Å^2
• Rotatable Bonds: 6
• H Acceptors: 4
• H Donor: 3
• Log P: -0.93
• LOG S: -2.01