1-{1-methyl-1H,4H,5H,6H,7H-pyrazolo[4,3-c]pyridine-3-carbonyl}piperidine hydrochloride

• ChemBase ID: 37809
• Molecular Formular: C13H21ClN4O
• Molecular Mass: 284.78504
• Monoisotopic Mass: 284.14038899
• SMILES: C1CNCc2c1n(nc2C(=O)N1CCCCC1)C.Cl
• Canonical SMILES: O=C(c1nn(c2c1CNCC2)C)N1CCCCC1.Cl
• InChI: InChI=1S/C13H20N4O.ClH/c1-16-11-5-6-14-9-10(11)12(15-16)13(18)17-7-3-2-4-8-17;/h14H,2-9H2,1H3;1H
• InChIKey: KQOZREJNPZBSBK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-{1-methyl-1H,4H,5H,6H,7H-pyrazolo[4,3-c]pyridine-3-carbonyl}piperidine hydrochloride
• IUPAC Traditional name: 1-{1-methyl-4H,5H,6H,7H-pyrazolo[4,3-c]pyridine-3-carbonyl}piperidine hydrochloride
• Synonyms: 1-Methyl-3-(piperidin-1-ylcarbonyl)-4,5,6,7-tetra-hydro-1H-pyrazolo[4,3-c]pyridine hydrochloride

Database IDs

• MDL Number: MFCD12028315
• PubChem SID: 161001116
• PubChem CID: 46737012

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -2.471044
• LogD (pH = 7.4): -0.7604821
• Log P: 0.22485176
• Molar Refractivity: 82.1487 cm^3
• Polarizability: 26.46951 Å^3
• Polar Surface Area: 50.16 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false