5-chloro-2-(difluoromethyl)-N-[4-[[6-fluoro-3-(5-fluoro-2-pyridinyl)-3-hydroxy-2-oxoindol-1-yl]methyl]cyclohexyl]pyridine-3-carboxamide

C27H23ClF4N4O3 — CID 163232479

About 5-chloro-2-(difluoromethyl)-N-[4-[[6-fluoro-3-(5-fluoro-2-pyridinyl)-3-hydroxy-2-oxoindol-1-yl]methyl]cyclohexyl]pyridine-3-carboxamide

5-chloro-2-(difluoromethyl)-N-[4-[[6-fluoro-3-(5-fluoro-2-pyridinyl)-3-hydroxy-2-oxoindol-1-yl]methyl]cyclohexyl]pyridine-3-carboxamide (PubChem CID 163232479) has the molecular formula C27H23ClF4N4O3 and a molecular weight of 562.95 g/mol. Its IUPAC name is 5-chloro-2-(difluoromethyl)-N-[4-[[6-fluoro-3-(5-fluoro-2-pyridinyl)-3-hydroxy-2-oxoindol-1-yl]methyl]cyclohexyl]pyridine-3-carboxamide.

Molecular Properties

• Compound Name: 5-chloro-2-(difluoromethyl)-N-[4-[[6-fluoro-3-(5-fluoro-2-pyridinyl)-3-hydroxy-2-oxoindol-1-yl]methyl]cyclohexyl]pyridine-3-carboxamide
• PubChem CID: 163232479
• Molecular Formula: C27H23ClF4N4O3
• Molecular Weight: 562.95 g/mol
• Exact Mass: 562.14
• IUPAC Name: 5-chloro-2-(difluoromethyl)-N-[4-[[6-fluoro-3-(5-fluoro-2-pyridinyl)-3-hydroxy-2-oxoindol-1-yl]methyl]cyclohexyl]pyridine-3-carboxamide
• SMILES: O=C(NC1CCC(CN2C(=O)C(O)(c3ccc(F)cn3)c3ccc(F)cc32)CC1)c1cc(Cl)cnc1C(F)F
• InChI: InChI=1S/C27H23ClF4N4O3/c28-15-9-19(23(24(31)32)34-11-15)25(37)35-18-5-1-14(2-6-18)13-36-21-10-16(29)3-7-20(21)27(39,26(36)38)22-8-4-17(30)12-33-22/h3-4,7-12,14,18,24,39H,1-2,5-6,13H2,(H,35,37)
• InChIKey: UHIFTHPGKZLHFO-UHFFFAOYSA-N
• XLogP: 4.92
• TPSA: 95.42 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	562.95
LogP ≤ 5	4.92
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-(difluoromethyl)-N-[4-[[6-fluoro-3-(5-fluoro-2-pyridinyl)-3-hydroxy-2-oxoindol-1-yl]methyl]cyclohexyl]pyridine-3-carboxamide?

The IUPAC name of 5-chloro-2-(difluoromethyl)-N-[4-[[6-fluoro-3-(5-fluoro-2-pyridinyl)-3-hydroxy-2-oxoindol-1-yl]methyl]cyclohexyl]pyridine-3-carboxamide (CID 163232479) is 5-chloro-2-(difluoromethyl)-N-[4-[[6-fluoro-3-(5-fluoro-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-[[6-fluoro-3-(5-fluoro-2-pyridinyl)-3-hydroxy-2-oxoindol-1-yl]methyl]cyclohexyl]pyridine-3-carboxamide?

The canonical SMILES for 5-chloro-2-(difluoromethyl)-N-[4-[[6-fluoro-3-(5-fluoro-2-pyridinyl)-3-hydroxy-2-oxoindol-1-yl]methyl]cyclohexyl]pyridine-3-carboxamide is O=C(NC1CCC(CN2C(=O)C(O)(c3ccc(F)cn3)c3ccc(F)cc32)CC1)c1cc(Cl)cnc1C(F)F.

What is the InChIKey of 5-chloro-2-(difluoromethyl)-N-[4-[[6-fluoro-3-(5-fluoro-2-pyridinyl)-3-hydroxy-2-oxoindol-1-yl]methyl]cyclohexyl]pyridine-3-carboxamide?

The InChIKey is UHIFTHPGKZLHFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H23ClF4N4O3/c28-15-9-19(23(24(31)32)34-11-15)25(37)35-18-5-1-14(2-6-18)13-36-21-10-16(29)3-7-20(21)27(39,26(36)38)22-8-4-17(30)12-33-22/h3-4,7-12,14,18,24,39H,1-2,5-6,13H2,(H,35,37).

What are the key properties of 5-chloro-2-(difluoromethyl)-N-[4-[[6-fluoro-3-(5-fluoro-2-pyridinyl)-3-hydroxy-2-oxoindol-1-yl]methyl]cyclohexyl]pyridine-3-carboxamide?

5-chloro-2-(difluoromethyl)-N-[4-[[6-fluoro-3-(5-fluoro-2-pyridinyl)-3-hydroxy-2-oxoindol-1-yl]methyl]cyclohexyl]pyridine-3-carboxamide has a molecular weight of 562.95 g/mol, XLogP of 4.92, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 5-chloro-2-(difluoromethyl)-N-[4-[[6-fluoro-3-(5-fluoro-2-pyridinyl)-3-hydroxy-2-oxoindol-1-yl]methyl]cyclohexyl]pyridine-3-carboxamide is sourced from PubChem (CID 163232479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).