5-(4-fluoro-3-methylphenyl)-2-(4-fluorophenyl)-N-methyl-6-(2,2,2-trifluoroethylamino)furo[2,3-b]pyridine-3-carboxamide

C24H18F5N3O2 — CID 129090697

IUPAC5-(4-fluoro-3-methylphenyl)-2-(4-fluorophenyl)-N-methyl-6-(2,2,2-trifluoroethylamino)furo[2,3-b]pyridine-3-carboxamide
SMILESCNC(=O)c1c(-c2ccc(F)cc2)oc2nc(NCC(F)(F)F)c(-c3ccc(F)c(C)c3)cc12
InChIInChI=1S/C24H18F5N3O2/c1-12-9-14(5-8-18(12)26)16-10-17-19(22(33)30-2)20(13-3-6-15(25)7-4-13)34-23(17)32-21(16)31-11-24(27,28)29/h3-10H,11H2,1-2H3,(H,30,33)(H,31,32)
InChIKeyWVJKAPRSSOYHMT-UHFFFAOYSA-N
MW475.42 g/mol
LogP6.08
Rot. Bonds5

About 5-(4-fluoro-3-methylphenyl)-2-(4-fluorophenyl)-N-methyl-6-(2,2,2-trifluoroethylamino)furo[2,3-b]pyridine-3-carboxamide

5-(4-fluoro-3-methylphenyl)-2-(4-fluorophenyl)-N-methyl-6-(2,2,2-trifluoroethylamino)furo[2,3-b]pyridine-3-carboxamide (PubChem CID 129090697) has the molecular formula C24H18F5N3O2 and a molecular weight of 475.42 g/mol. Its IUPAC name is 5-(4-fluoro-3-methylphenyl)-2-(4-fluorophenyl)-N-methyl-6-(2,2,2-trifluoroethylamino)furo[2,3-b]pyridine-3-carboxamide.

Molecular Properties

Compound Name5-(4-fluoro-3-methylphenyl)-2-(4-fluorophenyl)-N-methyl-6-(2,2,2-trifluoroethylamino)furo[2,3-b]pyridine-3-carboxamide
PubChem CID129090697
Molecular FormulaC24H18F5N3O2
Molecular Weight475.42 g/mol
Exact Mass475.13
IUPAC Name5-(4-fluoro-3-methylphenyl)-2-(4-fluorophenyl)-N-methyl-6-(2,2,2-trifluoroethylamino)furo[2,3-b]pyridine-3-carboxamide
SMILESCNC(=O)c1c(-c2ccc(F)cc2)oc2nc(NCC(F)(F)F)c(-c3ccc(F)c(C)c3)cc12
InChIInChI=1S/C24H18F5N3O2/c1-12-9-14(5-8-18(12)26)16-10-17-19(22(33)30-2)20(13-3-6-15(25)7-4-13)34-23(17)32-21(16)31-11-24(27,28)29/h3-10H,11H2,1-2H3,(H,30,33)(H,31,32)
InChIKeyWVJKAPRSSOYHMT-UHFFFAOYSA-N
XLogP6.08
TPSA67.16 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500475.42
LogP ≤ 56.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-[3-[(1-aminocyclopentyl)carbamoyl]phenyl]-2-(4-fluorophenyl)-N-methyl-6-(2,2,2-trifluoroethylamino)furo[2,3-b]pyridine-3-carboxamide
CID 162570590
2-cyclopropyl-2-(methylamino)propanenitrile;5-(4-fluoro-3-formylphenyl)-2-(4-fluorophenyl)-N-methyl-6-(2,2,2-trifluoroethylamino)furo[2,3-b]pyridine-3-carboxamide
CID 144928389
5-[3-[2-(1-bicyclo[1.1.1]pentanyl)acetyl]phenyl]-2-(4-fluorophenyl)-N-methyl-6-(2,2,2-trifluoroethylamino)furo[2,3-b]pyridine-3-carboxamide
CID 159811252
5-[3-[4-fluoro-3,3-bis(fluoromethyl)butanoyl]-4-methoxyphenyl]-2-(4-fluorophenyl)-N-methyl-6-(2,2,2-trifluoroethylamino)furo[2,3-b]pyridine-3-carboxamide
CID 147411671
5-[3-[4-fluoro-3,3-bis(fluoromethyl)butanoyl]phenyl]-2-(4-fluorophenyl)-N-methyl-6-(2,2,3,3,3-pentafluoropropylamino)furo[2,3-b]pyridine-3-carboxamide
CID 147664571
2-(4-fluorophenyl)-5-[4-fluoro-3-(1,1,1-trifluoropropan-2-ylcarbamoyl)phenyl]-N-methyl-6-(3,3,3-trifluoropropyl)furo[2,3-b]pyridine-3-carboxamide
CID 118896054
5-[3-(2,2-difluoropropylcarbamoyl)phenyl]-2-(4-fluorophenyl)-N-methyl-6-(3,3,3-trifluoropropyl)furo[2,3-b]pyridine-3-carboxamide
CID 118896122
5-[3-[4-fluoro-3,3-bis(fluoromethyl)butanoyl]phenyl]-2-(4-fluorophenyl)-6-(2-hydroxyethylamino)-N-methylfuro[2,3-b]pyridine-3-carboxamide
CID 159898689
5-[5-(2-cyanopropan-2-ylcarbamoyl)-6-methoxy-3-pyridinyl]-N-methyl-2-(4-methylphenyl)-6-(2,2,2-trifluoroethylamino)furo[2,3-b]pyridine-3-carboxamide
CID 118390571
5-[3-[2-(1-bicyclo[1.1.1]pentanyl)acetyl]-4-methylphenyl]-2-(4-fluorophenyl)-N-methyl-6-(3,3,3-trifluoropropyl)furo[2,3-b]pyridine-3-carboxamide
CID 158637079
3-[6-chloro-2-(4-fluorophenyl)-3-(methylcarbamoyl)furo[2,3-b]pyridin-5-yl]-4-fluorobenzoic acid
CID 118390591
5-[3-(tert-butylcarbamoyl)phenyl]-2-(4-fluorophenyl)-N-methyl-6-(3,3,3-trifluoropropyl)furo[2,3-b]pyridine-3-carboxamide;2,2,2-trifluoroethanol
CID 161200005

Frequently Asked Questions

What is the IUPAC name of 5-(4-fluoro-3-methylphenyl)-2-(4-fluorophenyl)-N-methyl-6-(2,2,2-trifluoroethylamino)furo[2,3-b]pyridine-3-carboxamide?
The IUPAC name of 5-(4-fluoro-3-methylphenyl)-2-(4-fluorophenyl)-N-methyl-6-(2,2,2-trifluoroethylamino)furo[2,3-b]pyridine-3-carboxamide (CID 129090697) is 5-(4-fluoro-3-methylphenyl)-2-(4-fluorophenyl)-N-methyl-6-(2,2,2-trifluoroethylamino)furo[2,3-b]pyridine-3-carboxamide.
What is the SMILES notation for 5-(4-fluoro-3-methylphenyl)-2-(4-fluorophenyl)-N-methyl-6-(2,2,2-trifluoroethylamino)furo[2,3-b]pyridine-3-carboxamide?
The canonical SMILES for 5-(4-fluoro-3-methylphenyl)-2-(4-fluorophenyl)-N-methyl-6-(2,2,2-trifluoroethylamino)furo[2,3-b]pyridine-3-carboxamide is CNC(=O)c1c(-c2ccc(F)cc2)oc2nc(NCC(F)(F)F)c(-c3ccc(F)c(C)c3)cc12.
What is the InChIKey of 5-(4-fluoro-3-methylphenyl)-2-(4-fluorophenyl)-N-methyl-6-(2,2,2-trifluoroethylamino)furo[2,3-b]pyridine-3-carboxamide?
The InChIKey is WVJKAPRSSOYHMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H18F5N3O2/c1-12-9-14(5-8-18(12)26)16-10-17-19(22(33)30-2)20(13-3-6-15(25)7-4-13)34-23(17)32-21(16)31-11-24(27,28)29/h3-10H,11H2,1-2H3,(H,30,33)(H,31,32).
What are the key properties of 5-(4-fluoro-3-methylphenyl)-2-(4-fluorophenyl)-N-methyl-6-(2,2,2-trifluoroethylamino)furo[2,3-b]pyridine-3-carboxamide?
5-(4-fluoro-3-methylphenyl)-2-(4-fluorophenyl)-N-methyl-6-(2,2,2-trifluoroethylamino)furo[2,3-b]pyridine-3-carboxamide has a molecular weight of 475.42 g/mol, XLogP of 6.08, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-fluoro-3-methylphenyl)-2-(4-fluorophenyl)-N-methyl-6-(2,2,2-trifluoroethylamino)furo[2,3-b]pyridine-3-carboxamide is sourced from PubChem (CID 129090697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).