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

• ChemBase ID: 619771
• Molecular Formular: C24H35N5O3
• Molecular Mass: 441.5664
• Monoisotopic Mass: 441.27399001
• SMILES: c12c(nn(c1CCN(C2)C(=O)CCc1c(onc1C)C)CC(C)C)C(=O)NC1CCCC1
• Canonical SMILES: CC(Cn1nc(c2c1CCN(C2)C(=O)CCc1c(C)noc1C)C(=O)NC1CCCC1)C
• InChI: InChI=1S/C24H35N5O3/c1-15(2)13-29-21-11-12-28(22(30)10-9-19-16(3)27-32-17(19)4)14-20(21)23(26-29)24(31)25-18-7-5-6-8-18/h15,18H,5-14H2,1-4H3,(H,25,31)
• InChIKey: UYXIWWNRCVUEFS-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-cyclopentyl-5-[3-(dimethyl-1,2-oxazol-4-yl)propanoyl]-1-(2-methylpropyl)-1H,4H,5H,6H,7H-pyrazolo[4,3-c]pyridine-3-carboxamide
• IUPAC Traditional name: N-cyclopentyl-5-[3-(dimethyl-1,2-oxazol-4-yl)propanoyl]-1-(2-methylpropyl)-4H,6H,7H-pyrazolo[4,3-c]pyridine-3-carboxamide
• Synonyms: N-cyclopentyl-5-[3-(3,5-dimethyl-4-isoxazolyl)propanoyl]-1-isobutyl-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridine-3-carboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 14.105654
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 2.3340876
• LogD (pH = 7.4): 2.3341415
• Log P: 2.3341422
• Molar Refractivity: 135.3394 cm^3
• Polarizability: 46.406876 Å^3
• Polar Surface Area: 93.26 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 6
• H Donor: 1
• Log P: 1.02
• LOG S: -6.51
• Polar Surface Area: 93.26 Å^2
• Rotatable Bonds: 6