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

C27H23ClF4N4O3 — CID 163232471

IUPAC5-chloro-2-(difluoromethyl)-N-[4-[[3-(3,5-difluoro-2-pyridinyl)-3-hydroxy-2-oxoindol-1-yl]methyl]cyclohexyl]pyridine-3-carboxamide
SMILESO=C(NC1CCC(CN2C(=O)C(O)(c3ncc(F)cc3F)c3ccccc32)CC1)c1cc(Cl)cnc1C(F)F
InChIInChI=1S/C27H23ClF4N4O3/c28-15-9-18(22(24(31)32)33-11-15)25(37)35-17-7-5-14(6-8-17)13-36-21-4-2-1-3-19(21)27(39,26(36)38)23-20(30)10-16(29)12-34-23/h1-4,9-12,14,17,24,39H,5-8,13H2,(H,35,37)
InChIKeyPCENLWFOCUDLTR-UHFFFAOYSA-N
MW562.95 g/mol
LogP4.92
Rot. Bonds6

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

5-chloro-2-(difluoromethyl)-N-[4-[[3-(3,5-difluoro-2-pyridinyl)-3-hydroxy-2-oxoindol-1-yl]methyl]cyclohexyl]pyridine-3-carboxamide (PubChem CID 163232471) has the molecular formula C27H23ClF4N4O3 and a molecular weight of 562.95 g/mol. Its IUPAC name is 5-chloro-2-(difluoromethyl)-N-[4-[[3-(3,5-difluoro-2-pyridinyl)-3-hydroxy-2-oxoindol-1-yl]methyl]cyclohexyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name5-chloro-2-(difluoromethyl)-N-[4-[[3-(3,5-difluoro-2-pyridinyl)-3-hydroxy-2-oxoindol-1-yl]methyl]cyclohexyl]pyridine-3-carboxamide
PubChem CID163232471
Molecular FormulaC27H23ClF4N4O3
Molecular Weight562.95 g/mol
Exact Mass562.14
IUPAC Name5-chloro-2-(difluoromethyl)-N-[4-[[3-(3,5-difluoro-2-pyridinyl)-3-hydroxy-2-oxoindol-1-yl]methyl]cyclohexyl]pyridine-3-carboxamide
SMILESO=C(NC1CCC(CN2C(=O)C(O)(c3ncc(F)cc3F)c3ccccc32)CC1)c1cc(Cl)cnc1C(F)F
InChIInChI=1S/C27H23ClF4N4O3/c28-15-9-18(22(24(31)32)33-11-15)25(37)35-17-7-5-14(6-8-17)13-36-21-4-2-1-3-19(21)27(39,26(36)38)23-20(30)10-16(29)12-34-23/h1-4,9-12,14,17,24,39H,5-8,13H2,(H,35,37)
InChIKeyPCENLWFOCUDLTR-UHFFFAOYSA-N
XLogP4.92
TPSA95.42 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms39
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500562.95
LogP ≤ 54.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-(difluoromethyl)-N-[4-[[3-(3,5-difluoro-2-pyridinyl)-3-hydroxy-2-oxoindol-1-yl]methyl]cyclohexyl]pyridine-3-carboxamide?
The IUPAC name of 5-chloro-2-(difluoromethyl)-N-[4-[[3-(3,5-difluoro-2-pyridinyl)-3-hydroxy-2-oxoindol-1-yl]methyl]cyclohexyl]pyridine-3-carboxamide (CID 163232471) is 5-chloro-2-(difluoromethyl)-N-[4-[[3-(3,5-difluoro-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-(3,5-difluoro-2-pyridinyl)-3-hydroxy-2-oxoindol-1-yl]methyl]cyclohexyl]pyridine-3-carboxamide?
The canonical SMILES for 5-chloro-2-(difluoromethyl)-N-[4-[[3-(3,5-difluoro-2-pyridinyl)-3-hydroxy-2-oxoindol-1-yl]methyl]cyclohexyl]pyridine-3-carboxamide is O=C(NC1CCC(CN2C(=O)C(O)(c3ncc(F)cc3F)c3ccccc32)CC1)c1cc(Cl)cnc1C(F)F.
What is the InChIKey of 5-chloro-2-(difluoromethyl)-N-[4-[[3-(3,5-difluoro-2-pyridinyl)-3-hydroxy-2-oxoindol-1-yl]methyl]cyclohexyl]pyridine-3-carboxamide?
The InChIKey is PCENLWFOCUDLTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H23ClF4N4O3/c28-15-9-18(22(24(31)32)33-11-15)25(37)35-17-7-5-14(6-8-17)13-36-21-4-2-1-3-19(21)27(39,26(36)38)23-20(30)10-16(29)12-34-23/h1-4,9-12,14,17,24,39H,5-8,13H2,(H,35,37).
What are the key properties of 5-chloro-2-(difluoromethyl)-N-[4-[[3-(3,5-difluoro-2-pyridinyl)-3-hydroxy-2-oxoindol-1-yl]methyl]cyclohexyl]pyridine-3-carboxamide?
5-chloro-2-(difluoromethyl)-N-[4-[[3-(3,5-difluoro-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-[[3-(3,5-difluoro-2-pyridinyl)-3-hydroxy-2-oxoindol-1-yl]methyl]cyclohexyl]pyridine-3-carboxamide is sourced from PubChem (CID 163232471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).