N-cyclopentyl-5-[(diethylcarbamoyl)methyl]-1-methyl-1H,4H,5H,6H,7H-pyrazolo[4,3-c]pyridine-3-carboxamide

• ChemBase ID: 554522
• Molecular Formular: C19H31N5O2
• Molecular Mass: 361.48174
• Monoisotopic Mass: 361.24777526
• SMILES: c12c(nn(c1CCN(C2)CC(=O)N(CC)CC)C)C(=O)NC1CCCC1
• Canonical SMILES: CCN(C(=O)CN1CCc2c(C1)c(nn2C)C(=O)NC1CCCC1)CC
• InChI: InChI=1S/C19H31N5O2/c1-4-24(5-2)17(25)13-23-11-10-16-15(12-23)18(21-22(16)3)19(26)20-14-8-6-7-9-14/h14H,4-13H2,1-3H3,(H,20,26)
• InChIKey: XTFYSGFCINKYHW-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-cyclopentyl-5-[(diethylcarbamoyl)methyl]-1-methyl-1H,4H,5H,6H,7H-pyrazolo[4,3-c]pyridine-3-carboxamide
• IUPAC Traditional name: N-cyclopentyl-5-[(diethylcarbamoyl)methyl]-1-methyl-4H,6H,7H-pyrazolo[4,3-c]pyridine-3-carboxamide
• Synonyms: N-cyclopentyl-5-[2-(diethylamino)-2-oxoethyl]-1-methyl-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridine-3-carboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 14.227785
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): -0.034869708
• LogD (pH = 7.4): 0.6955967
• Log P: 0.7205681
• Molar Refractivity: 114.0153 cm^3
• Polarizability: 38.734604 Å^3
• Polar Surface Area: 70.47 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 1
• Log P: 1.44
• LOG S: -3.34
• Polar Surface Area: 70.47 Å^2
• Rotatable Bonds: 4