2-(4-methoxyphenoxy)-N'-[(3Z)-2-oxo-1-{[2-(pyridin-3-yl)piperidin-1-yl]methyl}-2,3-dihydro-1H-indol-3-ylidene]acetohydrazide

• ChemBase ID: 191536
• Molecular Formular: C28H29N5O4
• Molecular Mass: 499.56096
• Monoisotopic Mass: 499.22195443
• SMILES: N1(C(=O)/C(=N\NC(=O)COc2ccc(cc2)OC)/c2c1cccc2)CN1C(c2cnccc2)CCCC1
• Canonical SMILES: COc1ccc(cc1)OCC(=O)N/N=C\1/c2ccccc2N(C1=O)CN1CCCCC1c1cccnc1
• InChI: InChI=1S/C28H29N5O4/c1-36-21-11-13-22(14-12-21)37-18-26(34)30-31-27-23-8-2-3-10-25(23)33(28(27)35)19-32-16-5-4-9-24(32)20-7-6-15-29-17-20/h2-3,6-8,10-15,17,24H,4-5,9,16,18-19H2,1H3,(H,30,34)/b31-27-
• InChIKey: IPDCVXXNSMFTCE-QVTSOHHYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(4-methoxyphenoxy)-N'-[(3Z)-2-oxo-1-{[2-(pyridin-3-yl)piperidin-1-yl]methyl}-2,3-dihydro-1H-indol-3-ylidene]acetohydrazide
• IUPAC Traditional name: 2-(4-methoxyphenoxy)-N'-[(3Z)-2-oxo-1-{[2-(pyridin-3-yl)piperidin-1-yl]methyl}indol-3-ylidene]acetohydrazide

Database IDs

• PubChem SID: 164247446
• PubChem CID: 9632557

CALCULATED PROPERTIES

• Acid pKa: 11.277156
• H Acceptors: 7
• H Donor: 1
• LogD (pH = 5.5): 2.1019049
• LogD (pH = 7.4): 3.092005
• Log P: 3.1437335
• Molar Refractivity: 138.0357 cm^3
• Polarizability: 53.411438 Å^3
• Polar Surface Area: 96.36 Å^2
• Rotatable Bonds: 8
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Classification: Derivatives & analogs of Natural Compounds