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

IUPAC5-chloro-2-(difluoromethyl)-N-[4-[[3-(3-fluoro-4-methoxy-2-pyridinyl)-3-hydroxy-2-oxoindol-1-yl]methyl]cyclohexyl]pyridine-3-carboxamide
SMILESCOc1ccnc(C2(O)C(=O)N(CC3CCC(NC(=O)c4cc(Cl)cnc4C(F)F)CC3)c3ccccc32)c1F
InChIInChI=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)
InChIKeyIBQJREXXZCWUKP-UHFFFAOYSA-N
MW574.99 g/mol
LogP4.79
Rot. Bonds7

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 Name5-chloro-2-(difluoromethyl)-N-[4-[[3-(3-fluoro-4-methoxy-2-pyridinyl)-3-hydroxy-2-oxoindol-1-yl]methyl]cyclohexyl]pyridine-3-carboxamide
PubChem CID163232381
Molecular FormulaC28H26ClF3N4O4
Molecular Weight574.99 g/mol
Exact Mass574.16
IUPAC Name5-chloro-2-(difluoromethyl)-N-[4-[[3-(3-fluoro-4-methoxy-2-pyridinyl)-3-hydroxy-2-oxoindol-1-yl]methyl]cyclohexyl]pyridine-3-carboxamide
SMILESCOc1ccnc(C2(O)C(=O)N(CC3CCC(NC(=O)c4cc(Cl)cnc4C(F)F)CC3)c3ccccc32)c1F
InChIInChI=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)
InChIKeyIBQJREXXZCWUKP-UHFFFAOYSA-N
XLogP4.79
TPSA104.65 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms40
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500574.99
LogP ≤ 54.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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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).