1-methyl-5-(3-methylbenzoyl)-N-[2-(morpholin-4-yl)ethyl]-1H,4H,5H,6H,7H-pyrazolo[4,3-c]pyridine-3-carboxamide

• ChemBase ID: 330530
• Molecular Formular: C22H29N5O3
• Molecular Mass: 411.49736
• Monoisotopic Mass: 411.22703981
• SMILES: c12c(nn(c1CCN(C2)C(=O)c1cc(ccc1)C)C)C(=O)NCCN1CCOCC1
• Canonical SMILES: Cc1cccc(c1)C(=O)N1CCc2c(C1)c(nn2C)C(=O)NCCN1CCOCC1
• InChI: InChI=1S/C22H29N5O3/c1-16-4-3-5-17(14-16)22(29)27-8-6-19-18(15-27)20(24-25(19)2)21(28)23-7-9-26-10-12-30-13-11-26/h3-5,14H,6-13,15H2,1-2H3,(H,23,28)
• InChIKey: MMGKWOWAEVDDNT-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-methyl-5-(3-methylbenzoyl)-N-[2-(morpholin-4-yl)ethyl]-1H,4H,5H,6H,7H-pyrazolo[4,3-c]pyridine-3-carboxamide
• IUPAC Traditional name: 1-methyl-5-(3-methylbenzoyl)-N-[2-(morpholin-4-yl)ethyl]-4H,6H,7H-pyrazolo[4,3-c]pyridine-3-carboxamide
• Synonyms: 1-methyl-5-(3-methylbenzoyl)-N-[2-(4-morpholinyl)ethyl]-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridine-3-carboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 13.987263
• H Acceptors: 5
• H Donor: 1
• LogD (pH = 5.5): 0.4472639
• LogD (pH = 7.4): 0.91753334
• Log P: 0.9284917
• Molar Refractivity: 127.4812 cm^3
• Polarizability: 43.286175 Å^3
• Polar Surface Area: 79.7 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 6
• H Donor: 1
• Log P: 1.14
• LOG S: -3.73
• Polar Surface Area: 79.7 Å^2
• Rotatable Bonds: 5