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

C28H26ClF3N4O4 — CID 163232360

IUPAC5-chloro-2-(difluoromethyl)-N-[4-[[3-(3-fluoro-4-pyridinyl)-3-hydroxy-6-methoxy-2-oxoindol-1-yl]methyl]cyclohexyl]pyridine-3-carboxamide
SMILESCOc1ccc2c(c1)N(CC1CCC(NC(=O)c3cc(Cl)cnc3C(F)F)CC1)C(=O)C2(O)c1ccncc1F
InChIInChI=1S/C28H26ClF3N4O4/c1-40-18-6-7-21-23(11-18)36(27(38)28(21,39)20-8-9-33-13-22(20)30)14-15-2-4-17(5-3-15)35-26(37)19-10-16(29)12-34-24(19)25(31)32/h6-13,15,17,25,39H,2-5,14H2,1H3,(H,35,37)
InChIKeyHTFGTRKAZYZQGT-UHFFFAOYSA-N
MW574.99 g/mol
LogP4.79
Rot. Bonds7

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

5-chloro-2-(difluoromethyl)-N-[4-[[3-(3-fluoro-4-pyridinyl)-3-hydroxy-6-methoxy-2-oxoindol-1-yl]methyl]cyclohexyl]pyridine-3-carboxamide (PubChem CID 163232360) 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-pyridinyl)-3-hydroxy-6-methoxy-2-oxoindol-1-yl]methyl]cyclohexyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name5-chloro-2-(difluoromethyl)-N-[4-[[3-(3-fluoro-4-pyridinyl)-3-hydroxy-6-methoxy-2-oxoindol-1-yl]methyl]cyclohexyl]pyridine-3-carboxamide
PubChem CID163232360
Molecular FormulaC28H26ClF3N4O4
Molecular Weight574.99 g/mol
Exact Mass574.16
IUPAC Name5-chloro-2-(difluoromethyl)-N-[4-[[3-(3-fluoro-4-pyridinyl)-3-hydroxy-6-methoxy-2-oxoindol-1-yl]methyl]cyclohexyl]pyridine-3-carboxamide
SMILESCOc1ccc2c(c1)N(CC1CCC(NC(=O)c3cc(Cl)cnc3C(F)F)CC1)C(=O)C2(O)c1ccncc1F
InChIInChI=1S/C28H26ClF3N4O4/c1-40-18-6-7-21-23(11-18)36(27(38)28(21,39)20-8-9-33-13-22(20)30)14-15-2-4-17(5-3-15)35-26(37)19-10-16(29)12-34-24(19)25(31)32/h6-13,15,17,25,39H,2-5,14H2,1H3,(H,35,37)
InChIKeyHTFGTRKAZYZQGT-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

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-(difluoromethyl)-N-[4-[[3-(3-fluoro-4-pyridinyl)-3-hydroxy-6-methoxy-2-oxoindol-1-yl]methyl]cyclohexyl]pyridine-3-carboxamide?
The IUPAC name of 5-chloro-2-(difluoromethyl)-N-[4-[[3-(3-fluoro-4-pyridinyl)-3-hydroxy-6-methoxy-2-oxoindol-1-yl]methyl]cyclohexyl]pyridine-3-carboxamide (CID 163232360) is 5-chloro-2-(difluoromethyl)-N-[4-[[3-(3-fluoro-4-pyridinyl)-3-hydroxy-6-methoxy-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-pyridinyl)-3-hydroxy-6-methoxy-2-oxoindol-1-yl]methyl]cyclohexyl]pyridine-3-carboxamide?
The canonical SMILES for 5-chloro-2-(difluoromethyl)-N-[4-[[3-(3-fluoro-4-pyridinyl)-3-hydroxy-6-methoxy-2-oxoindol-1-yl]methyl]cyclohexyl]pyridine-3-carboxamide is COc1ccc2c(c1)N(CC1CCC(NC(=O)c3cc(Cl)cnc3C(F)F)CC1)C(=O)C2(O)c1ccncc1F.
What is the InChIKey of 5-chloro-2-(difluoromethyl)-N-[4-[[3-(3-fluoro-4-pyridinyl)-3-hydroxy-6-methoxy-2-oxoindol-1-yl]methyl]cyclohexyl]pyridine-3-carboxamide?
The InChIKey is HTFGTRKAZYZQGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H26ClF3N4O4/c1-40-18-6-7-21-23(11-18)36(27(38)28(21,39)20-8-9-33-13-22(20)30)14-15-2-4-17(5-3-15)35-26(37)19-10-16(29)12-34-24(19)25(31)32/h6-13,15,17,25,39H,2-5,14H2,1H3,(H,35,37).
What are the key properties of 5-chloro-2-(difluoromethyl)-N-[4-[[3-(3-fluoro-4-pyridinyl)-3-hydroxy-6-methoxy-2-oxoindol-1-yl]methyl]cyclohexyl]pyridine-3-carboxamide?
5-chloro-2-(difluoromethyl)-N-[4-[[3-(3-fluoro-4-pyridinyl)-3-hydroxy-6-methoxy-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-pyridinyl)-3-hydroxy-6-methoxy-2-oxoindol-1-yl]methyl]cyclohexyl]pyridine-3-carboxamide is sourced from PubChem (CID 163232360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).