5-(2-carbamoylethyl)-N-cyclopentyl-1-(2-methylpropyl)-1H,4H,5H,6H,7H-pyrazolo[4,3-c]pyridine-3-carboxamide

• ChemBase ID: 462535
• Molecular Formular: C19H31N5O2
• Molecular Mass: 361.48174
• Monoisotopic Mass: 361.24777526
• SMILES: c12c(nn(c1CCN(C2)CCC(=O)N)CC(C)C)C(=O)NC1CCCC1
• Canonical SMILES: CC(Cn1nc(c2c1CCN(C2)CCC(=O)N)C(=O)NC1CCCC1)C
• InChI: InChI=1S/C19H31N5O2/c1-13(2)11-24-16-7-9-23(10-8-17(20)25)12-15(16)18(22-24)19(26)21-14-5-3-4-6-14/h13-14H,3-12H2,1-2H3,(H2,20,25)(H,21,26)
• InChIKey: MYUDISGVVYBFBG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-(2-carbamoylethyl)-N-cyclopentyl-1-(2-methylpropyl)-1H,4H,5H,6H,7H-pyrazolo[4,3-c]pyridine-3-carboxamide
• IUPAC Traditional name: 5-(2-carbamoylethyl)-N-cyclopentyl-1-(2-methylpropyl)-4H,6H,7H-pyrazolo[4,3-c]pyridine-3-carboxamide
• Synonyms: 5-(3-amino-3-oxopropyl)-N-cyclopentyl-1-isobutyl-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridine-3-carboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 14.205897
• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): -0.88639814
• LogD (pH = 7.4): 0.7227604
• Log P: 1.040916
• Molar Refractivity: 113.1683 cm^3
• Polarizability: 38.734436 Å^3
• Polar Surface Area: 93.25 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 2
• Log P: 1.29
• LOG S: -2.4
• Polar Surface Area: 93.25 Å^2
• Rotatable Bonds: 6