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

C26H23Cl2F2N3O3S — CID 170667126

IUPAC5-chloro-N-[4-[[3-(5-chlorothiophen-3-yl)-3-hydroxy-2-oxoindol-1-yl]methyl]cyclohexyl]-2-(difluoromethyl)pyridine-3-carboxamide
SMILESO=C(NC1CCC(CN2C(=O)C(O)(c3csc(Cl)c3)c3ccccc32)CC1)c1cc(Cl)cnc1C(F)F
InChIInChI=1S/C26H23Cl2F2N3O3S/c27-16-10-18(22(23(29)30)31-11-16)24(34)32-17-7-5-14(6-8-17)12-33-20-4-2-1-3-19(20)26(36,25(33)35)15-9-21(28)37-13-15/h1-4,9-11,13-14,17,23,36H,5-8,12H2,(H,32,34)
InChIKeyOETNJJJLIVQDCB-UHFFFAOYSA-N
MW566.46 g/mol
LogP5.96
Rot. Bonds6

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

5-chloro-N-[4-[[3-(5-chlorothiophen-3-yl)-3-hydroxy-2-oxoindol-1-yl]methyl]cyclohexyl]-2-(difluoromethyl)pyridine-3-carboxamide (PubChem CID 170667126) has the molecular formula C26H23Cl2F2N3O3S and a molecular weight of 566.46 g/mol. Its IUPAC name is 5-chloro-N-[4-[[3-(5-chlorothiophen-3-yl)-3-hydroxy-2-oxoindol-1-yl]methyl]cyclohexyl]-2-(difluoromethyl)pyridine-3-carboxamide.

Molecular Properties

Compound Name5-chloro-N-[4-[[3-(5-chlorothiophen-3-yl)-3-hydroxy-2-oxoindol-1-yl]methyl]cyclohexyl]-2-(difluoromethyl)pyridine-3-carboxamide
PubChem CID170667126
Molecular FormulaC26H23Cl2F2N3O3S
Molecular Weight566.46 g/mol
Exact Mass565.08
IUPAC Name5-chloro-N-[4-[[3-(5-chlorothiophen-3-yl)-3-hydroxy-2-oxoindol-1-yl]methyl]cyclohexyl]-2-(difluoromethyl)pyridine-3-carboxamide
SMILESO=C(NC1CCC(CN2C(=O)C(O)(c3csc(Cl)c3)c3ccccc32)CC1)c1cc(Cl)cnc1C(F)F
InChIInChI=1S/C26H23Cl2F2N3O3S/c27-16-10-18(22(23(29)30)31-11-16)24(34)32-17-7-5-14(6-8-17)12-33-20-4-2-1-3-19(20)26(36,25(33)35)15-9-21(28)37-13-15/h1-4,9-11,13-14,17,23,36H,5-8,12H2,(H,32,34)
InChIKeyOETNJJJLIVQDCB-UHFFFAOYSA-N
XLogP5.96
TPSA82.53 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500566.46
LogP ≤ 55.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[4-[[3-(5-chlorothiophen-3-yl)-3-hydroxy-2-oxoindol-1-yl]methyl]cyclohexyl]-2-(difluoromethyl)pyridine-3-carboxamide?
The IUPAC name of 5-chloro-N-[4-[[3-(5-chlorothiophen-3-yl)-3-hydroxy-2-oxoindol-1-yl]methyl]cyclohexyl]-2-(difluoromethyl)pyridine-3-carboxamide (CID 170667126) is 5-chloro-N-[4-[[3-(5-chlorothiophen-3-yl)-3-hydroxy-2-oxoindol-1-yl]methyl]cyclohexyl]-2-(difluoromethyl)pyridine-3-carboxamide.
What is the SMILES notation for 5-chloro-N-[4-[[3-(5-chlorothiophen-3-yl)-3-hydroxy-2-oxoindol-1-yl]methyl]cyclohexyl]-2-(difluoromethyl)pyridine-3-carboxamide?
The canonical SMILES for 5-chloro-N-[4-[[3-(5-chlorothiophen-3-yl)-3-hydroxy-2-oxoindol-1-yl]methyl]cyclohexyl]-2-(difluoromethyl)pyridine-3-carboxamide is O=C(NC1CCC(CN2C(=O)C(O)(c3csc(Cl)c3)c3ccccc32)CC1)c1cc(Cl)cnc1C(F)F.
What is the InChIKey of 5-chloro-N-[4-[[3-(5-chlorothiophen-3-yl)-3-hydroxy-2-oxoindol-1-yl]methyl]cyclohexyl]-2-(difluoromethyl)pyridine-3-carboxamide?
The InChIKey is OETNJJJLIVQDCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H23Cl2F2N3O3S/c27-16-10-18(22(23(29)30)31-11-16)24(34)32-17-7-5-14(6-8-17)12-33-20-4-2-1-3-19(20)26(36,25(33)35)15-9-21(28)37-13-15/h1-4,9-11,13-14,17,23,36H,5-8,12H2,(H,32,34).
What are the key properties of 5-chloro-N-[4-[[3-(5-chlorothiophen-3-yl)-3-hydroxy-2-oxoindol-1-yl]methyl]cyclohexyl]-2-(difluoromethyl)pyridine-3-carboxamide?
5-chloro-N-[4-[[3-(5-chlorothiophen-3-yl)-3-hydroxy-2-oxoindol-1-yl]methyl]cyclohexyl]-2-(difluoromethyl)pyridine-3-carboxamide has a molecular weight of 566.46 g/mol, XLogP of 5.96, 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-(5-chlorothiophen-3-yl)-3-hydroxy-2-oxoindol-1-yl]methyl]cyclohexyl]-2-(difluoromethyl)pyridine-3-carboxamide is sourced from PubChem (CID 170667126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).