N-[6-(1H-indol-4-yloxy)pyridin-3-yl]-1-methyl-1H-indole-3-carboxamide hydrochloride

• ChemBase ID: 226385
• Molecular Formular: C23H19ClN4O2
• Molecular Mass: 418.87556
• Monoisotopic Mass: 418.11965355
• SMILES: c1(cn(c2c1cccc2)C)C(=O)Nc1cnc(Oc2c3c([nH]cc3)ccc2)cc1.Cl
• Canonical SMILES: O=C(c1cn(c2c1cccc2)C)Nc1ccc(nc1)Oc1cccc2c1cc[nH]2.Cl
• InChI: InChI=1S/C23H18N4O2.ClH/c1-27-14-18(16-5-2-3-7-20(16)27)23(28)26-15-9-10-22(25-13-15)29-21-8-4-6-19-17(21)11-12-24-19;/h2-14,24H,1H3,(H,26,28);1H
• InChIKey: VVTSGJUCXCFCRC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[6-(1H-indol-4-yloxy)pyridin-3-yl]-1-methyl-1H-indole-3-carboxamide hydrochloride
• IUPAC Traditional name: N-[6-(1H-indol-4-yloxy)pyridin-3-yl]-1-methylindole-3-carboxamide hydrochloride

Database IDs

• PubChem SID: 164282295
• PubChem CID: 71692326

CALCULATED PROPERTIES

• Acid pKa: 10.635558
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): 4.363385
• LogD (pH = 7.4): 4.3631625
• Log P: 4.363403
• Molar Refractivity: 113.0586 cm^3
• Polarizability: 44.604652 Å^3
• Polar Surface Area: 71.94 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Salt Data: HCl
• Classification: Derivatives & analogs of Natural Compounds