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

• ChemBase ID: 54990
• Molecular Formular: C18H30ClN5O2
• Molecular Mass: 383.9161
• Monoisotopic Mass: 383.20880291
• SMILES: C1CNCc2c1n(nc2C(=O)N1CC(CCC1)C(=O)N(CC)CC)C.Cl
• Canonical SMILES: CCN(C(=O)C1CCCN(C1)C(=O)c1nn(c2c1CNCC2)C)CC.Cl
• InChI: InChI=1S/C18H29N5O2.ClH/c1-4-22(5-2)17(24)13-7-6-10-23(12-13)18(25)16-14-11-19-9-8-15(14)21(3)20-16;/h13,19H,4-12H2,1-3H3;1H
• InChIKey: NTSZMQMRFMRGTP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N,N-diethyl-1-{1-methyl-1H,4H,5H,6H,7H-pyrazolo[4,3-c]pyridine-3-carbonyl}piperidine-3-carboxamide hydrochloride
• IUPAC Traditional name: N,N-diethyl-1-{1-methyl-4H,5H,6H,7H-pyrazolo[4,3-c]pyridine-3-carbonyl}piperidine-3-carboxamide hydrochloride
• Synonyms: N,N-Diethyl-1-[(1-methyl-4,5,6,7-tetrahydro-1H-pyrazolo-[4,3-c]pyridin-3-yl)carbonyl]piperidine-3-carboxamide hydrochloride

Database IDs

• MDL Number: MFCD12028317
• PubChem SID: 162059753
• PubChem CID: 71299301

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): -2.7383618
• LogD (pH = 7.4): -1.0277979
• Log P: -0.04247085
• Molar Refractivity: 109.3474 cm^3
• Polarizability: 36.898335 Å^3
• Polar Surface Area: 70.47 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false