3-(3-fluoroanilino)-2-pyridin-4-yl-6-(trifluoromethyl)-1,5,6,7-tetrahydroindol-4-one

C20H15F4N3O — CID 118606900

IUPAC3-(3-fluoroanilino)-2-pyridin-4-yl-6-(trifluoromethyl)-1,5,6,7-tetrahydroindol-4-one
SMILESO=C1CC(C(F)(F)F)Cc2[nH]c(-c3ccncc3)c(Nc3cccc(F)c3)c21
InChIInChI=1S/C20H15F4N3O/c21-13-2-1-3-14(10-13)26-19-17-15(8-12(9-16(17)28)20(22,23)24)27-18(19)11-4-6-25-7-5-11/h1-7,10,12,26-27H,8-9H2
InChIKeyOWALGJOLGPTRKP-UHFFFAOYSA-N
MW389.35 g/mol
LogP5.27
Rot. Bonds3

About 3-(3-fluoroanilino)-2-pyridin-4-yl-6-(trifluoromethyl)-1,5,6,7-tetrahydroindol-4-one

3-(3-fluoroanilino)-2-pyridin-4-yl-6-(trifluoromethyl)-1,5,6,7-tetrahydroindol-4-one (PubChem CID 118606900) has the molecular formula C20H15F4N3O and a molecular weight of 389.35 g/mol. Its IUPAC name is 3-(3-fluoroanilino)-2-pyridin-4-yl-6-(trifluoromethyl)-1,5,6,7-tetrahydroindol-4-one.

Molecular Properties

Compound Name3-(3-fluoroanilino)-2-pyridin-4-yl-6-(trifluoromethyl)-1,5,6,7-tetrahydroindol-4-one
PubChem CID118606900
Molecular FormulaC20H15F4N3O
Molecular Weight389.35 g/mol
Exact Mass389.12
IUPAC Name3-(3-fluoroanilino)-2-pyridin-4-yl-6-(trifluoromethyl)-1,5,6,7-tetrahydroindol-4-one
SMILESO=C1CC(C(F)(F)F)Cc2[nH]c(-c3ccncc3)c(Nc3cccc(F)c3)c21
InChIInChI=1S/C20H15F4N3O/c21-13-2-1-3-14(10-13)26-19-17-15(8-12(9-16(17)28)20(22,23)24)27-18(19)11-4-6-25-7-5-11/h1-7,10,12,26-27H,8-9H2
InChIKeyOWALGJOLGPTRKP-UHFFFAOYSA-N
XLogP5.27
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500389.35
LogP ≤ 55.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 3-(3-fluoroanilino)-2-pyridin-4-yl-6-(trifluoromethyl)-1,5,6,7-tetrahydroindol-4-one with MolForge

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Launch Full Analysis

Related Compounds

methyl 3-(3-fluoroanilino)-4-oxo-2-pyridin-4-yl-1,5,6,7-tetrahydroindole-6-carboxylate
CID 146516174
3-[(6,6-dimethyl-4-oxo-2-pyridin-4-yl-5,7-dihydro-1H-indol-3-yl)amino]benzonitrile
CID 118606824
3-[4-fluoro-3-(trifluoromethoxy)anilino]-6,6-dimethyl-2-pyridin-4-yl-5,7-dihydro-1H-indol-4-one
CID 118607160
3-anilino-6-[[tert-butyl(diphenyl)silyl]oxymethyl]-2-pyridin-4-yl-1,5,6,7-tetrahydroindol-4-one
CID 140892969
6,6-dimethyl-2-pyridin-4-yl-3-(3-thiophen-2-ylanilino)-5,7-dihydro-1H-indol-4-one
CID 118606762
N-[4-[3-(3-fluoroanilino)-4-oxo-1,5,6,7-tetrahydroindol-2-yl]-2-pyridinyl]cyclopropanecarboxamide
CID 118607092
[4-[3-(3-fluoroanilino)-4-oxo-1,5,6,7-tetrahydroindol-2-yl]-2-pyridinyl]carbamic acid
CID 118607107
3-anilino-6-oxo-2-pyridin-4-yl-1,7-dihydrothiopyrano[3,4-b]pyrrol-4-one
CID 129246322
N-[4-(3-anilino-6-methyl-4-oxo-1,5,6,7-tetrahydroindol-2-yl)-2-pyridinyl]-2-fluoro-2-methylpropanamide
CID 134582075
3-[3-(1-hydroxypropyl)anilino]-6,6-dimethyl-2-pyridin-4-yl-5,7-dihydro-1H-indol-4-one
CID 118606985
4-[3-(3-fluoroanilino)-6,6-dimethyl-4-oxo-5,7-dihydro-1H-indol-2-yl]pyridine-3-carbonitrile
CID 118607111
2-(2-amino-4-pyridinyl)-3-(4-fluoroanilino)-6-propan-2-yl-1,5,6,7-tetrahydroindol-4-one
CID 118607324

Frequently Asked Questions

What is the IUPAC name of 3-(3-fluoroanilino)-2-pyridin-4-yl-6-(trifluoromethyl)-1,5,6,7-tetrahydroindol-4-one?
The IUPAC name of 3-(3-fluoroanilino)-2-pyridin-4-yl-6-(trifluoromethyl)-1,5,6,7-tetrahydroindol-4-one (CID 118606900) is 3-(3-fluoroanilino)-2-pyridin-4-yl-6-(trifluoromethyl)-1,5,6,7-tetrahydroindol-4-one.
What is the SMILES notation for 3-(3-fluoroanilino)-2-pyridin-4-yl-6-(trifluoromethyl)-1,5,6,7-tetrahydroindol-4-one?
The canonical SMILES for 3-(3-fluoroanilino)-2-pyridin-4-yl-6-(trifluoromethyl)-1,5,6,7-tetrahydroindol-4-one is O=C1CC(C(F)(F)F)Cc2[nH]c(-c3ccncc3)c(Nc3cccc(F)c3)c21.
What is the InChIKey of 3-(3-fluoroanilino)-2-pyridin-4-yl-6-(trifluoromethyl)-1,5,6,7-tetrahydroindol-4-one?
The InChIKey is OWALGJOLGPTRKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15F4N3O/c21-13-2-1-3-14(10-13)26-19-17-15(8-12(9-16(17)28)20(22,23)24)27-18(19)11-4-6-25-7-5-11/h1-7,10,12,26-27H,8-9H2.
What are the key properties of 3-(3-fluoroanilino)-2-pyridin-4-yl-6-(trifluoromethyl)-1,5,6,7-tetrahydroindol-4-one?
3-(3-fluoroanilino)-2-pyridin-4-yl-6-(trifluoromethyl)-1,5,6,7-tetrahydroindol-4-one has a molecular weight of 389.35 g/mol, XLogP of 5.27, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-fluoroanilino)-2-pyridin-4-yl-6-(trifluoromethyl)-1,5,6,7-tetrahydroindol-4-one is sourced from PubChem (CID 118606900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).