4-[3-(3-fluoroanilino)-6,6-dimethyl-4-oxo-5,7-dihydro-1H-indol-2-yl]pyridine-3-carbonitrile

C22H19FN4O — CID 118607111

IUPAC4-[3-(3-fluoroanilino)-6,6-dimethyl-4-oxo-5,7-dihydro-1H-indol-2-yl]pyridine-3-carbonitrile
SMILESCC1(C)CC(=O)c2c([nH]c(-c3ccncc3C#N)c2Nc2cccc(F)c2)C1
InChIInChI=1S/C22H19FN4O/c1-22(2)9-17-19(18(28)10-22)21(26-15-5-3-4-14(23)8-15)20(27-17)16-6-7-25-12-13(16)11-24/h3-8,12,26-27H,9-10H2,1-2H3
InChIKeyOIHXUMDKCUUKQI-UHFFFAOYSA-N
MW374.42 g/mol
LogP4.99
Rot. Bonds3

About 4-[3-(3-fluoroanilino)-6,6-dimethyl-4-oxo-5,7-dihydro-1H-indol-2-yl]pyridine-3-carbonitrile

4-[3-(3-fluoroanilino)-6,6-dimethyl-4-oxo-5,7-dihydro-1H-indol-2-yl]pyridine-3-carbonitrile (PubChem CID 118607111) has the molecular formula C22H19FN4O and a molecular weight of 374.42 g/mol. Its IUPAC name is 4-[3-(3-fluoroanilino)-6,6-dimethyl-4-oxo-5,7-dihydro-1H-indol-2-yl]pyridine-3-carbonitrile.

Molecular Properties

Compound Name4-[3-(3-fluoroanilino)-6,6-dimethyl-4-oxo-5,7-dihydro-1H-indol-2-yl]pyridine-3-carbonitrile
PubChem CID118607111
Molecular FormulaC22H19FN4O
Molecular Weight374.42 g/mol
Exact Mass374.15
IUPAC Name4-[3-(3-fluoroanilino)-6,6-dimethyl-4-oxo-5,7-dihydro-1H-indol-2-yl]pyridine-3-carbonitrile
SMILESCC1(C)CC(=O)c2c([nH]c(-c3ccncc3C#N)c2Nc2cccc(F)c2)C1
InChIInChI=1S/C22H19FN4O/c1-22(2)9-17-19(18(28)10-22)21(26-15-5-3-4-14(23)8-15)20(27-17)16-6-7-25-12-13(16)11-24/h3-8,12,26-27H,9-10H2,1-2H3
InChIKeyOIHXUMDKCUUKQI-UHFFFAOYSA-N
XLogP4.99
TPSA81.57 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.42
LogP ≤ 54.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 4-[3-(3-fluoroanilino)-6,6-dimethyl-4-oxo-5,7-dihydro-1H-indol-2-yl]pyridine-3-carbonitrile with MolForge

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Related Compounds

3-[(6,6-dimethyl-4-oxo-2-pyridin-4-yl-5,7-dihydro-1H-indol-3-yl)amino]benzonitrile
CID 118606824
3-anilino-6,6-dimethyl-2-(3-methyl-4-pyridinyl)-5,7-dihydro-1H-indol-4-one
CID 118607239
3-anilino-2-(3-bromo-4-pyridinyl)-6,6-dimethyl-5,7-dihydro-1H-indol-4-one
CID 118607035
6,6-dimethyl-3-(3-phenoxyanilino)-2-pyridin-4-yl-5,7-dihydro-1H-indol-4-one
CID 118607314
3-(3-benzylanilino)-6,6-dimethyl-2-pyridin-4-yl-5,7-dihydro-1H-indol-4-one
CID 118613477
6,6-dimethyl-2-pyridin-4-yl-3-(3-thiophen-2-ylanilino)-5,7-dihydro-1H-indol-4-one
CID 118606762
3-[3-(1-hydroxypropyl)anilino]-6,6-dimethyl-2-pyridin-4-yl-5,7-dihydro-1H-indol-4-one
CID 118606985
3-(1H-indazol-6-ylamino)-6,6-dimethyl-2-pyridin-4-yl-5,7-dihydro-1H-indol-4-one
CID 118606707
3-[4-fluoro-3-(trifluoromethoxy)anilino]-6,6-dimethyl-2-pyridin-4-yl-5,7-dihydro-1H-indol-4-one
CID 118607160
2-[3-(2,2-difluoroethoxy)-4-pyridinyl]-3-(3-fluoroanilino)-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one
CID 122442120
3-(3-chloro-2-fluoroanilino)-6,6-dimethyl-2-pyridin-4-yl-5,7-dihydro-1H-indol-4-one
CID 118607298
3-anilino-6,6-dimethyl-2-pyrimidin-4-yl-5,7-dihydro-1H-indol-4-one;3-(3-chloroanilino)-6,6-dimethyl-2-pyridin-4-yl-5,7-dihydro-1H-indol-4-one
CID 118607222

Frequently Asked Questions

What is the IUPAC name of 4-[3-(3-fluoroanilino)-6,6-dimethyl-4-oxo-5,7-dihydro-1H-indol-2-yl]pyridine-3-carbonitrile?
The IUPAC name of 4-[3-(3-fluoroanilino)-6,6-dimethyl-4-oxo-5,7-dihydro-1H-indol-2-yl]pyridine-3-carbonitrile (CID 118607111) is 4-[3-(3-fluoroanilino)-6,6-dimethyl-4-oxo-5,7-dihydro-1H-indol-2-yl]pyridine-3-carbonitrile.
What is the SMILES notation for 4-[3-(3-fluoroanilino)-6,6-dimethyl-4-oxo-5,7-dihydro-1H-indol-2-yl]pyridine-3-carbonitrile?
The canonical SMILES for 4-[3-(3-fluoroanilino)-6,6-dimethyl-4-oxo-5,7-dihydro-1H-indol-2-yl]pyridine-3-carbonitrile is CC1(C)CC(=O)c2c([nH]c(-c3ccncc3C#N)c2Nc2cccc(F)c2)C1.
What is the InChIKey of 4-[3-(3-fluoroanilino)-6,6-dimethyl-4-oxo-5,7-dihydro-1H-indol-2-yl]pyridine-3-carbonitrile?
The InChIKey is OIHXUMDKCUUKQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19FN4O/c1-22(2)9-17-19(18(28)10-22)21(26-15-5-3-4-14(23)8-15)20(27-17)16-6-7-25-12-13(16)11-24/h3-8,12,26-27H,9-10H2,1-2H3.
What are the key properties of 4-[3-(3-fluoroanilino)-6,6-dimethyl-4-oxo-5,7-dihydro-1H-indol-2-yl]pyridine-3-carbonitrile?
4-[3-(3-fluoroanilino)-6,6-dimethyl-4-oxo-5,7-dihydro-1H-indol-2-yl]pyridine-3-carbonitrile has a molecular weight of 374.42 g/mol, XLogP of 4.99, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(3-fluoroanilino)-6,6-dimethyl-4-oxo-5,7-dihydro-1H-indol-2-yl]pyridine-3-carbonitrile is sourced from PubChem (CID 118607111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).