N-cyclopentyl-2-[3-(propan-2-yl)-1H,4H,5H,6H,7H-pyrazolo[4,3-c]pyridin-5-yl]propanamide

• ChemBase ID: 494169
• Molecular Formular: C17H28N4O
• Molecular Mass: 304.43042
• Monoisotopic Mass: 304.22631154
• SMILES: c12c(n[nH]c2CCN(C1)C(C(=O)NC1CCCC1)C)C(C)C
• Canonical SMILES: O=C(C(N1CCc2c(C1)c(n[nH]2)C(C)C)C)NC1CCCC1
• InChI: InChI=1S/C17H28N4O/c1-11(2)16-14-10-21(9-8-15(14)19-20-16)12(3)17(22)18-13-6-4-5-7-13/h11-13H,4-10H2,1-3H3,(H,18,22)(H,19,20)
• InChIKey: CUYUBRSJUABGNO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-cyclopentyl-2-[3-(propan-2-yl)-1H,4H,5H,6H,7H-pyrazolo[4,3-c]pyridin-5-yl]propanamide
• IUPAC Traditional name: N-cyclopentyl-2-{3-isopropyl-1H,4H,6H,7H-pyrazolo[4,3-c]pyridin-5-yl}propanamide
• Synonyms: N-cyclopentyl-2-(3-isopropyl-1,4,6,7-tetrahydro-5H-pyrazolo[4,3-c]pyridin-5-yl)propanamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 14.653937
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): 0.91538393
• LogD (pH = 7.4): 2.0635574
• Log P: 2.14309
• Molar Refractivity: 89.0891 cm^3
• Polarizability: 34.030643 Å^3
• Polar Surface Area: 61.02 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 2
• Log P: 2.31
• LOG S: -3.39
• Polar Surface Area: 61.02 Å^2
• Rotatable Bonds: 4