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

• ChemBase ID: 595561
• Molecular Formular: C15H21N5O2
• Molecular Mass: 303.35954
• Monoisotopic Mass: 303.16952494
• SMILES: c1(c2c([nH]n1)CCN(C2)C)C(=O)N(Cc1onc(c1)CC)C
• Canonical SMILES: CCc1noc(c1)CN(C(=O)c1n[nH]c2c1CN(C)CC2)C
• InChI: InChI=1S/C15H21N5O2/c1-4-10-7-11(22-18-10)8-20(3)15(21)14-12-9-19(2)6-5-13(12)16-17-14/h7H,4-6,8-9H2,1-3H3,(H,16,17)
• InChIKey: WFEZRJWXSKOGBG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[(3-ethyl-1,2-oxazol-5-yl)methyl]-N,5-dimethyl-1H,4H,5H,6H,7H-pyrazolo[4,3-c]pyridine-3-carboxamide
• IUPAC Traditional name: N-[(3-ethyl-1,2-oxazol-5-yl)methyl]-N,5-dimethyl-1H,4H,6H,7H-pyrazolo[4,3-c]pyridine-3-carboxamide
• Synonyms: N-[(3-ethylisoxazol-5-yl)methyl]-N,5-dimethyl-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridine-3-carboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 9.891343
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): -1.1004394
• LogD (pH = 7.4): 0.30725926
• Log P: 0.47478315
• Molar Refractivity: 85.2359 cm^3
• Polarizability: 30.966415 Å^3
• Polar Surface Area: 78.26 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 1
• Log P: -1.18
• LOG S: -1.72
• Polar Surface Area: 78.26 Å^2
• Rotatable Bonds: 4