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

C28H26ClF3N4O4 — CID 163232381

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

5-chloro-2-(difluoromethyl)-N-[4-[[3-(3-fluoro-4-methoxy-2-pyridinyl)-3-hydroxy-2-oxoindol-1-yl]methyl]cyclohexyl]pyridine-3-carboxamide (PubChem CID 163232381) has the molecular formula C28H26ClF3N4O4 and a molecular weight of 574.99 g/mol. Its IUPAC name is 5-chloro-2-(difluoromethyl)-N-[4-[[3-(3-fluoro-4-methoxy-2-pyridinyl)-3-hydroxy-2-oxoindol-1-yl]methyl]cyclohexyl]pyridine-3-carboxamide.

Molecular Properties

• Compound Name: 5-chloro-2-(difluoromethyl)-N-[4-[[3-(3-fluoro-4-methoxy-2-pyridinyl)-3-hydroxy-2-oxoindol-1-yl]methyl]cyclohexyl]pyridine-3-carboxamide
• PubChem CID: 163232381
• Molecular Formula: C28H26ClF3N4O4
• Molecular Weight: 574.99 g/mol
• Exact Mass: 574.16
• IUPAC Name: 5-chloro-2-(difluoromethyl)-N-[4-[[3-(3-fluoro-4-methoxy-2-pyridinyl)-3-hydroxy-2-oxoindol-1-yl]methyl]cyclohexyl]pyridine-3-carboxamide
• SMILES: COc1ccnc(C2(O)C(=O)N(CC3CCC(NC(=O)c4cc(Cl)cnc4C(F)F)CC3)c3ccccc32)c1F
• InChI: InChI=1S/C28H26ClF3N4O4/c1-40-21-10-11-33-24(22(21)30)28(39)19-4-2-3-5-20(19)36(27(28)38)14-15-6-8-17(9-7-15)35-26(37)18-12-16(29)13-34-23(18)25(31)32/h2-5,10-13,15,17,25,39H,6-9,14H2,1H3,(H,35,37)
• InChIKey: IBQJREXXZCWUKP-UHFFFAOYSA-N
• XLogP: 4.79
• TPSA: 104.65 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 7
• Heavy Atoms: 40
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	574.99
LogP ≤ 5	4.79
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

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

The IUPAC name of 5-chloro-2-(difluoromethyl)-N-[4-[[3-(3-fluoro-4-methoxy-2-pyridinyl)-3-hydroxy-2-oxoindol-1-yl]methyl]cyclohexyl]pyridine-3-carboxamide (CID 163232381) is 5-chloro-2-(difluoromethyl)-N-[4-[[3-(3-fluoro-4-methoxy-2-pyridinyl)-3-hydroxy-2-oxoindol-1-yl]methyl]cyclohexyl]pyridine-3-carboxamide.

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

The canonical SMILES for 5-chloro-2-(difluoromethyl)-N-[4-[[3-(3-fluoro-4-methoxy-2-pyridinyl)-3-hydroxy-2-oxoindol-1-yl]methyl]cyclohexyl]pyridine-3-carboxamide is COc1ccnc(C2(O)C(=O)N(CC3CCC(NC(=O)c4cc(Cl)cnc4C(F)F)CC3)c3ccccc32)c1F.

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

The InChIKey is IBQJREXXZCWUKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H26ClF3N4O4/c1-40-21-10-11-33-24(22(21)30)28(39)19-4-2-3-5-20(19)36(27(28)38)14-15-6-8-17(9-7-15)35-26(37)18-12-16(29)13-34-23(18)25(31)32/h2-5,10-13,15,17,25,39H,6-9,14H2,1H3,(H,35,37).

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

5-chloro-2-(difluoromethyl)-N-[4-[[3-(3-fluoro-4-methoxy-2-pyridinyl)-3-hydroxy-2-oxoindol-1-yl]methyl]cyclohexyl]pyridine-3-carboxamide has a molecular weight of 574.99 g/mol, XLogP of 4.79, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 5-chloro-2-(difluoromethyl)-N-[4-[[3-(3-fluoro-4-methoxy-2-pyridinyl)-3-hydroxy-2-oxoindol-1-yl]methyl]cyclohexyl]pyridine-3-carboxamide is sourced from PubChem (CID 163232381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).