6,7-dimethoxy-1-methyl-N-(pyridin-3-ylmethyl)-1H,4H-indeno[1,2-c]pyrazole-3-carboxamide

• ChemBase ID: 222532
• Molecular Formular: C20H20N4O3
• Molecular Mass: 364.3978
• Monoisotopic Mass: 364.15354052
• SMILES: c12c(nn(c1c1c(C2)cc(c(c1)OC)OC)C)C(=O)NCc1cnccc1
• Canonical SMILES: COc1cc2c(cc1OC)Cc1c2n(C)nc1C(=O)NCc1cccnc1
• InChI: InChI=1S/C20H20N4O3/c1-24-19-14-9-17(27-3)16(26-2)8-13(14)7-15(19)18(23-24)20(25)22-11-12-5-4-6-21-10-12/h4-6,8-10H,7,11H2,1-3H3,(H,22,25)
• InChIKey: JNGMLROHOKYHAG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 6,7-dimethoxy-1-methyl-N-(pyridin-3-ylmethyl)-1H,4H-indeno[1,2-c]pyrazole-3-carboxamide
• IUPAC Traditional name: 6,7-dimethoxy-1-methyl-N-(pyridin-3-ylmethyl)-4H-indeno[1,2-c]pyrazole-3-carboxamide

Database IDs

• PubChem SID: 164278442
• PubChem CID: 39378198

CALCULATED PROPERTIES

• Acid pKa: 7.760344
• H Acceptors: 5
• H Donor: 1
• LogD (pH = 5.5): 1.6635966
• LogD (pH = 7.4): 1.5802053
• Log P: 1.7385054
• Molar Refractivity: 112.6395 cm^3
• Polarizability: 39.279766 Å^3
• Polar Surface Area: 78.27 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Classification: Derivatives & analogs of Natural Compounds