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

• ChemBase ID: 49940
• Molecular Formular: C13H16ClN5O
• Molecular Mass: 293.75204
• Monoisotopic Mass: 293.10433784
• SMILES: c1(c2c([nH]n1)CCNC2)C(=O)NCc1cnccc1.Cl
• Canonical SMILES: O=C(c1n[nH]c2c1CNCC2)NCc1cccnc1.Cl
• InChI: InChI=1S/C13H15N5O.ClH/c19-13(16-7-9-2-1-4-14-6-9)12-10-8-15-5-3-11(10)17-18-12;/h1-2,4,6,15H,3,5,7-8H2,(H,16,19)(H,17,18);1H
• InChIKey: BZFFCRDQXJXHNN-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• MDL Number: MFCD13562780
• PubChem SID: 162054703
• PubChem CID: 56832229

CALCULATED PROPERTIES

• Acid pKa: 11.869272
• H Acceptors: 4
• H Donor: 3
• LogD (pH = 5.5): -3.2436464
• LogD (pH = 7.4): -1.4639125
• Log P: -0.46606582
• Molar Refractivity: 72.3497 cm^3
• Polarizability: 26.76625 Å^3
• Polar Surface Area: 82.7 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false