N-cyclopropyl-1-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]-5-(3-oxo-2,3-dihydro-1H-indene-1-carbonyl)-1H,4H,5H,6H,7H-pyrazolo[4,3-c]pyridine-3-carboxamide

• ChemBase ID: 418534
• Molecular Formular: C26H27N5O3S
• Molecular Mass: 489.58928
• Monoisotopic Mass: 489.18346075
• SMILES: c12c(nn(c1CCN(C(=O)C1c3c(C(=O)C1)cccc3)C2)CCc1c(ncs1)C)C(=O)NC1CC1
• Canonical SMILES: O=C(c1nn(c2c1CN(CC2)C(=O)C1CC(=O)c2c1cccc2)CCc1scnc1C)NC1CC1
• InChI: InChI=1S/C26H27N5O3S/c1-15-23(35-14-27-15)9-11-31-21-8-10-30(13-20(21)24(29-31)25(33)28-16-6-7-16)26(34)19-12-22(32)18-5-3-2-4-17(18)19/h2-5,14,16,19H,6-13H2,1H3,(H,28,33)
• InChIKey: KRUIDSWRFYUXDT-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-cyclopropyl-1-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]-5-(3-oxo-2,3-dihydro-1H-indene-1-carbonyl)-1H,4H,5H,6H,7H-pyrazolo[4,3-c]pyridine-3-carboxamide
• IUPAC Traditional name: N-cyclopropyl-1-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]-5-(3-oxo-1,2-dihydroindene-1-carbonyl)-4H,6H,7H-pyrazolo[4,3-c]pyridine-3-carboxamide
• Synonyms: N-cyclopropyl-1-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]-5-[(3-oxo-2,3-dihydro-1H-inden-1-yl)carbonyl]-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridine-3-carboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 13.902395
• H Acceptors: 5
• H Donor: 1
• LogD (pH = 5.5): 1.4433625
• LogD (pH = 7.4): 1.4446822
• Log P: 1.4446993
• Molar Refractivity: 144.271 cm^3
• Polarizability: 49.761547 Å^3
• Polar Surface Area: 97.19 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 6
• H Donor: 1
• Log P: 2.43
• LOG S: -5.96
• Polar Surface Area: 97.19 Å^2
• Rotatable Bonds: 6