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

• ChemBase ID: 382557
• Molecular Formular: C25H29N5O4
• Molecular Mass: 463.52886
• Monoisotopic Mass: 463.22195443
• SMILES: c12c(nn(c1CCN(C2)C(=O)c1cc(c2occc2)ccc1)C)C(=O)NCCN1CCOCC1
• Canonical SMILES: O=C(c1nn(c2c1CN(CC2)C(=O)c1cccc(c1)c1ccco1)C)NCCN1CCOCC1
• InChI: InChI=1S/C25H29N5O4/c1-28-21-7-9-30(25(32)19-5-2-4-18(16-19)22-6-3-13-34-22)17-20(21)23(27-28)24(31)26-8-10-29-11-14-33-15-12-29/h2-6,13,16H,7-12,14-15,17H2,1H3,(H,26,31)
• InChIKey: QWJFKQDJANJRCA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-[3-(furan-2-yl)benzoyl]-1-methyl-N-[2-(morpholin-4-yl)ethyl]-1H,4H,5H,6H,7H-pyrazolo[4,3-c]pyridine-3-carboxamide
• IUPAC Traditional name: 5-[3-(furan-2-yl)benzoyl]-1-methyl-N-[2-(morpholin-4-yl)ethyl]-4H,6H,7H-pyrazolo[4,3-c]pyridine-3-carboxamide
• Synonyms: 5-[3-(2-furyl)benzoyl]-1-methyl-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): 0.64131457
• LogD (pH = 7.4): 1.111584
• Log P: 1.1225424
• Molar Refractivity: 139.9671 cm^3
• Polarizability: 49.321663 Å^3
• Polar Surface Area: 92.84 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 7
• H Donor: 1
• Log P: 1.92
• LOG S: -4.51
• Polar Surface Area: 92.84 Å^2
• Rotatable Bonds: 6