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

C27H24Cl2F2N4O3 — CID 163232432

IUPAC5-chloro-N-[4-[[3-(5-chloro-3-pyridinyl)-3-hydroxy-2-oxoindol-1-yl]methyl]cyclohexyl]-2-(difluoromethyl)pyridine-3-carboxamide
SMILESO=C(NC1CCC(CN2C(=O)C(O)(c3cncc(Cl)c3)c3ccccc32)CC1)c1cc(Cl)cnc1C(F)F
InChIInChI=1S/C27H24Cl2F2N4O3/c28-17-9-16(11-32-12-17)27(38)21-3-1-2-4-22(21)35(26(27)37)14-15-5-7-19(8-6-15)34-25(36)20-10-18(29)13-33-23(20)24(30)31/h1-4,9-13,15,19,24,38H,5-8,14H2,(H,34,36)
InChIKeyXQLGPTBQGJGNJL-UHFFFAOYSA-N
MW561.42 g/mol
LogP5.29
Rot. Bonds6

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

5-chloro-N-[4-[[3-(5-chloro-3-pyridinyl)-3-hydroxy-2-oxoindol-1-yl]methyl]cyclohexyl]-2-(difluoromethyl)pyridine-3-carboxamide (PubChem CID 163232432) has the molecular formula C27H24Cl2F2N4O3 and a molecular weight of 561.42 g/mol. Its IUPAC name is 5-chloro-N-[4-[[3-(5-chloro-3-pyridinyl)-3-hydroxy-2-oxoindol-1-yl]methyl]cyclohexyl]-2-(difluoromethyl)pyridine-3-carboxamide.

Molecular Properties

Compound Name5-chloro-N-[4-[[3-(5-chloro-3-pyridinyl)-3-hydroxy-2-oxoindol-1-yl]methyl]cyclohexyl]-2-(difluoromethyl)pyridine-3-carboxamide
PubChem CID163232432
Molecular FormulaC27H24Cl2F2N4O3
Molecular Weight561.42 g/mol
Exact Mass560.12
IUPAC Name5-chloro-N-[4-[[3-(5-chloro-3-pyridinyl)-3-hydroxy-2-oxoindol-1-yl]methyl]cyclohexyl]-2-(difluoromethyl)pyridine-3-carboxamide
SMILESO=C(NC1CCC(CN2C(=O)C(O)(c3cncc(Cl)c3)c3ccccc32)CC1)c1cc(Cl)cnc1C(F)F
InChIInChI=1S/C27H24Cl2F2N4O3/c28-17-9-16(11-32-12-17)27(38)21-3-1-2-4-22(21)35(26(27)37)14-15-5-7-19(8-6-15)34-25(36)20-10-18(29)13-33-23(20)24(30)31/h1-4,9-13,15,19,24,38H,5-8,14H2,(H,34,36)
InChIKeyXQLGPTBQGJGNJL-UHFFFAOYSA-N
XLogP5.29
TPSA95.42 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500561.42
LogP ≤ 55.29
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-chloro-3-pyridinyl)-3-hydroxy-2-oxoindol-1-yl]methyl]cyclohexyl]-2-(difluoromethyl)pyridine-3-carboxamide?
The IUPAC name of 5-chloro-N-[4-[[3-(5-chloro-3-pyridinyl)-3-hydroxy-2-oxoindol-1-yl]methyl]cyclohexyl]-2-(difluoromethyl)pyridine-3-carboxamide (CID 163232432) is 5-chloro-N-[4-[[3-(5-chloro-3-pyridinyl)-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-chloro-3-pyridinyl)-3-hydroxy-2-oxoindol-1-yl]methyl]cyclohexyl]-2-(difluoromethyl)pyridine-3-carboxamide?
The canonical SMILES for 5-chloro-N-[4-[[3-(5-chloro-3-pyridinyl)-3-hydroxy-2-oxoindol-1-yl]methyl]cyclohexyl]-2-(difluoromethyl)pyridine-3-carboxamide is O=C(NC1CCC(CN2C(=O)C(O)(c3cncc(Cl)c3)c3ccccc32)CC1)c1cc(Cl)cnc1C(F)F.
What is the InChIKey of 5-chloro-N-[4-[[3-(5-chloro-3-pyridinyl)-3-hydroxy-2-oxoindol-1-yl]methyl]cyclohexyl]-2-(difluoromethyl)pyridine-3-carboxamide?
The InChIKey is XQLGPTBQGJGNJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H24Cl2F2N4O3/c28-17-9-16(11-32-12-17)27(38)21-3-1-2-4-22(21)35(26(27)37)14-15-5-7-19(8-6-15)34-25(36)20-10-18(29)13-33-23(20)24(30)31/h1-4,9-13,15,19,24,38H,5-8,14H2,(H,34,36).
What are the key properties of 5-chloro-N-[4-[[3-(5-chloro-3-pyridinyl)-3-hydroxy-2-oxoindol-1-yl]methyl]cyclohexyl]-2-(difluoromethyl)pyridine-3-carboxamide?
5-chloro-N-[4-[[3-(5-chloro-3-pyridinyl)-3-hydroxy-2-oxoindol-1-yl]methyl]cyclohexyl]-2-(difluoromethyl)pyridine-3-carboxamide has a molecular weight of 561.42 g/mol, XLogP of 5.29, 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-chloro-3-pyridinyl)-3-hydroxy-2-oxoindol-1-yl]methyl]cyclohexyl]-2-(difluoromethyl)pyridine-3-carboxamide is sourced from PubChem (CID 163232432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).