N'-[(3Z)-2-oxo-1-{[2-(pyridin-3-yl)piperidin-1-yl]methyl}-2,3-dihydro-1H-indol-3-ylidene]furan-2-carbohydrazide

• ChemBase ID: 191457
• Molecular Formular: C24H23N5O3
• Molecular Mass: 429.47112
• Monoisotopic Mass: 429.18008962
• SMILES: N1(C(=O)/C(=N\NC(=O)c2occc2)/c2c1cccc2)CN1C(c2cnccc2)CCCC1
• Canonical SMILES: O=C1/C(=N\NC(=O)c2ccco2)/c2c(N1CN1CCCCC1c1cccnc1)cccc2
• InChI: InChI=1S/C24H23N5O3/c30-23(21-11-6-14-32-21)27-26-22-18-8-1-2-10-20(18)29(24(22)31)16-28-13-4-3-9-19(28)17-7-5-12-25-15-17/h1-2,5-8,10-12,14-15,19H,3-4,9,13,16H2,(H,27,30)/b26-22-
• InChIKey: QUGSREAZEIFYPC-ROMGYVFFSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N'-[(3Z)-2-oxo-1-{[2-(pyridin-3-yl)piperidin-1-yl]methyl}-2,3-dihydro-1H-indol-3-ylidene]furan-2-carbohydrazide
• IUPAC Traditional name: N'-[(3Z)-2-oxo-1-{[2-(pyridin-3-yl)piperidin-1-yl]methyl}indol-3-ylidene]furan-2-carbohydrazide

Database IDs

• PubChem SID: 164247367
• PubChem CID: 9625027

CALCULATED PROPERTIES

• Acid pKa: 10.80479
• H Acceptors: 5
• H Donor: 1
• LogD (pH = 5.5): 1.6571432
• LogD (pH = 7.4): 2.6471002
• Log P: 2.6989222
• Molar Refractivity: 118.6718 cm^3
• Polarizability: 45.037148 Å^3
• Polar Surface Area: 91.04 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Classification: Derivatives & analogs of Natural Compounds