N-(4-methoxyphenyl)-1H,4H,5H,6H,7H-pyrazolo[4,3-c]pyridine-3-carboxamide hydrochloride

• ChemBase ID: 50043
• Molecular Formular: C14H17ClN4O2
• Molecular Mass: 308.76338
• Monoisotopic Mass: 308.10400348
• SMILES: c1(c2c([nH]n1)CCNC2)C(=O)Nc1ccc(cc1)OC.Cl
• Canonical SMILES: COc1ccc(cc1)NC(=O)c1n[nH]c2c1CNCC2.Cl
• InChI: InChI=1S/C14H16N4O2.ClH/c1-20-10-4-2-9(3-5-10)16-14(19)13-11-8-15-7-6-12(11)17-18-13;/h2-5,15H,6-8H2,1H3,(H,16,19)(H,17,18);1H
• InChIKey: ONZHMEKRAKCAOU-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(4-methoxyphenyl)-1H,4H,5H,6H,7H-pyrazolo[4,3-c]pyridine-3-carboxamide hydrochloride
• IUPAC Traditional name: N-(4-methoxyphenyl)-1H,4H,5H,6H,7H-pyrazolo[4,3-c]pyridine-3-carboxamide hydrochloride
• Synonyms: N-(4-Methoxyphenyl)-4,5,6,7-tetrahydro-1H-pyrazolo [4,3-c]pyridine-3-carboxamide hydrochloride

Database IDs

• MDL Number: MFCD13562850
• PubChem SID: 162054806
• PubChem CID: 56832271

CALCULATED PROPERTIES

• Acid pKa: 10.134873
• H Acceptors: 4
• H Donor: 3
• LogD (pH = 5.5): -1.8154758
• LogD (pH = 7.4): -0.107472986
• Log P: 0.7682387
• Molar Refractivity: 77.9156 cm^3
• Polarizability: 28.524311 Å^3
• Polar Surface Area: 79.04 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false