N,N-dimethyl-5-[1-(propan-2-yl)piperidine-4-carbonyl]-1H,4H,5H,6H,7H-pyrazolo[4,3-c]pyridine-3-carboxamide

• ChemBase ID: 487378
• Molecular Formular: C18H29N5O2
• Molecular Mass: 347.45516
• Monoisotopic Mass: 347.23212519
• SMILES: c1(c2CN(C(=O)C3CCN(CC3)C(C)C)CCc2[nH]n1)C(=O)N(C)C
• Canonical SMILES: O=C(N1CCc2c(C1)c(n[nH]2)C(=O)N(C)C)C1CCN(CC1)C(C)C
• InChI: InChI=1S/C18H29N5O2/c1-12(2)22-8-5-13(6-9-22)17(24)23-10-7-15-14(11-23)16(20-19-15)18(25)21(3)4/h12-13H,5-11H2,1-4H3,(H,19,20)
• InChIKey: GLAJFNVYENHZKE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N,N-dimethyl-5-[1-(propan-2-yl)piperidine-4-carbonyl]-1H,4H,5H,6H,7H-pyrazolo[4,3-c]pyridine-3-carboxamide
• IUPAC Traditional name: 5-(1-isopropylpiperidine-4-carbonyl)-N,N-dimethyl-1H,4H,6H,7H-pyrazolo[4,3-c]pyridine-3-carboxamide
• Synonyms: 5-[(1-isopropyl-4-piperidinyl)carbonyl]-N,N-dimethyl-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridine-3-carboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 10.360045
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): -3.2144039
• LogD (pH = 7.4): -1.8057114
• Log P: -0.12912326
• Molar Refractivity: 99.2503 cm^3
• Polarizability: 37.053036 Å^3
• Polar Surface Area: 72.54 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 1
• Log P: -0.8
• LOG S: -2.36
• Polar Surface Area: 72.54 Å^2
• Rotatable Bonds: 3