5-chloro-N-[4-[[3-(3-chloro-4-pyridinyl)-3-hydroxy-2-oxoindol-1-yl]methyl]cyclohexyl]-2-(difluoromethyl)pyridine-3-carboxamide

C27H24Cl2F2N4O3 — CID 163232567

About 5-chloro-N-[4-[[3-(3-chloro-4-pyridinyl)-3-hydroxy-2-oxoindol-1-yl]methyl]cyclohexyl]-2-(difluoromethyl)pyridine-3-carboxamide

5-chloro-N-[4-[[3-(3-chloro-4-pyridinyl)-3-hydroxy-2-oxoindol-1-yl]methyl]cyclohexyl]-2-(difluoromethyl)pyridine-3-carboxamide (PubChem CID 163232567) has the molecular formula C27H24Cl2F2N4O3 and a molecular weight of 561.42 g/mol. Its IUPAC name is 5-chloro-N-[4-[[3-(3-chloro-4-pyridinyl)-3-hydroxy-2-oxoindol-1-yl]methyl]cyclohexyl]-2-(difluoromethyl)pyridine-3-carboxamide.

Molecular Properties

• Compound Name: 5-chloro-N-[4-[[3-(3-chloro-4-pyridinyl)-3-hydroxy-2-oxoindol-1-yl]methyl]cyclohexyl]-2-(difluoromethyl)pyridine-3-carboxamide
• PubChem CID: 163232567
• Molecular Formula: C27H24Cl2F2N4O3
• Molecular Weight: 561.42 g/mol
• Exact Mass: 560.12
• IUPAC Name: 5-chloro-N-[4-[[3-(3-chloro-4-pyridinyl)-3-hydroxy-2-oxoindol-1-yl]methyl]cyclohexyl]-2-(difluoromethyl)pyridine-3-carboxamide
• SMILES: O=C(NC1CCC(CN2C(=O)C(O)(c3ccncc3Cl)c3ccccc32)CC1)c1cc(Cl)cnc1C(F)F
• InChI: InChI=1S/C27H24Cl2F2N4O3/c28-16-11-18(23(24(30)31)33-12-16)25(36)34-17-7-5-15(6-8-17)14-35-22-4-2-1-3-20(22)27(38,26(35)37)19-9-10-32-13-21(19)29/h1-4,9-13,15,17,24,38H,5-8,14H2,(H,34,36)
• InChIKey: BXKAZIXCAALWLY-UHFFFAOYSA-N
• XLogP: 5.29
• TPSA: 95.42 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	561.42
LogP ≤ 5	5.29
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[4-[[3-(3-chloro-4-pyridinyl)-3-hydroxy-2-oxoindol-1-yl]methyl]cyclohexyl]-2-(difluoromethyl)pyridine-3-carboxamide?

The IUPAC name of 5-chloro-N-[4-[[3-(3-chloro-4-pyridinyl)-3-hydroxy-2-oxoindol-1-yl]methyl]cyclohexyl]-2-(difluoromethyl)pyridine-3-carboxamide (CID 163232567) is 5-chloro-N-[4-[[3-(3-chloro-4-pyridinyl)-3-hydroxy-2-oxoindol-1-yl]methyl]cyclohexyl]-2-(difluoromethyl)pyridine-3-carboxamide.

What is the SMILES notation for 5-chloro-N-[4-[[3-(3-chloro-4-pyridinyl)-3-hydroxy-2-oxoindol-1-yl]methyl]cyclohexyl]-2-(difluoromethyl)pyridine-3-carboxamide?

The canonical SMILES for 5-chloro-N-[4-[[3-(3-chloro-4-pyridinyl)-3-hydroxy-2-oxoindol-1-yl]methyl]cyclohexyl]-2-(difluoromethyl)pyridine-3-carboxamide is O=C(NC1CCC(CN2C(=O)C(O)(c3ccncc3Cl)c3ccccc32)CC1)c1cc(Cl)cnc1C(F)F.

What is the InChIKey of 5-chloro-N-[4-[[3-(3-chloro-4-pyridinyl)-3-hydroxy-2-oxoindol-1-yl]methyl]cyclohexyl]-2-(difluoromethyl)pyridine-3-carboxamide?

The InChIKey is BXKAZIXCAALWLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H24Cl2F2N4O3/c28-16-11-18(23(24(30)31)33-12-16)25(36)34-17-7-5-15(6-8-17)14-35-22-4-2-1-3-20(22)27(38,26(35)37)19-9-10-32-13-21(19)29/h1-4,9-13,15,17,24,38H,5-8,14H2,(H,34,36).

What are the key properties of 5-chloro-N-[4-[[3-(3-chloro-4-pyridinyl)-3-hydroxy-2-oxoindol-1-yl]methyl]cyclohexyl]-2-(difluoromethyl)pyridine-3-carboxamide?

5-chloro-N-[4-[[3-(3-chloro-4-pyridinyl)-3-hydroxy-2-oxoindol-1-yl]methyl]cyclohexyl]-2-(difluoromethyl)pyridine-3-carboxamide has a molecular weight of 561.42 g/mol, XLogP of 5.29, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 5-chloro-N-[4-[[3-(3-chloro-4-pyridinyl)-3-hydroxy-2-oxoindol-1-yl]methyl]cyclohexyl]-2-(difluoromethyl)pyridine-3-carboxamide is sourced from PubChem (CID 163232567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).