4-(5-fluoro-6-propan-2-yl-3-pyridinyl)-1,3-dihydroindol-2-one;1-methyl-4-(5-propan-2-ylpyrimidin-2-yl)-3H-indol-2-one;2-(2-oxo-1,3-dihydroindol-4-yl)-5-propan-2-ylpyridine-4-carbonitrile;4-(5-propan-2-yl-2-pyridinyl)-1,3-dihydroindol-2-one;4-(6-propan-2-yl-3-pyridinyl)-1,3-dihydroindol-2-one

C81H79FN12O5 — CID 158351402

IUPAC4-(5-fluoro-6-propan-2-yl-3-pyridinyl)-1,3-dihydroindol-2-one;1-methyl-4-(5-propan-2-ylpyrimidin-2-yl)-3H-indol-2-one;2-(2-oxo-1,3-dihydroindol-4-yl)-5-propan-2-ylpyridine-4-carbonitrile;4-(5-propan-2-yl-2-pyridinyl)-1,3-dihydroindol-2-one;4-(6-propan-2-yl-3-pyridinyl)-1,3-dihydroindol-2-one
SMILESCC(C)c1ccc(-c2cccc3c2CC(=O)N3)cn1.CC(C)c1ccc(-c2cccc3c2CC(=O)N3)nc1.CC(C)c1cnc(-c2cccc3c2CC(=O)N3)cc1C#N.CC(C)c1cnc(-c2cccc3c2CC(=O)N3C)nc1.CC(C)c1ncc(-c2cccc3c2CC(=O)N3)cc1F
InChIInChI=1S/C17H15N3O.C16H15FN2O.C16H17N3O.2C16H16N2O/c1-10(2)14-9-19-16(6-11(14)8-18)12-4-3-5-15-13(12)7-17(21)20-15;1-9(2)16-13(17)6-10(8-18-16)11-4-3-5-14-12(11)7-15(20)19-14;1-10(2)11-8-17-16(18-9-11)12-5-4-6-14-13(12)7-15(20)19(14)3;1-10(2)14-7-6-11(9-17-14)12-4-3-5-15-13(12)8-16(19)18-15;1-10(2)11-6-7-14(17-9-11)12-4-3-5-15-13(12)8-16(19)18-15/h3-6,9-10H,7H2,1-2H3,(H,20,21);3-6,8-9H,7H2,1-2H3,(H,19,20);4-6,8-10H,7H2,1-3H3;2*3-7,9-10H,8H2,1-2H3,(H,18,19)
InChIKeyGSJAQIMWCWHHKO-UHFFFAOYSA-N
MW1319.60 g/mol
LogP16.26
Rot. Bonds10

About 4-(5-fluoro-6-propan-2-yl-3-pyridinyl)-1,3-dihydroindol-2-one;1-methyl-4-(5-propan-2-ylpyrimidin-2-yl)-3H-indol-2-one;2-(2-oxo-1,3-dihydroindol-4-yl)-5-propan-2-ylpyridine-4-carbonitrile;4-(5-propan-2-yl-2-pyridinyl)-1,3-dihydroindol-2-one;4-(6-propan-2-yl-3-pyridinyl)-1,3-dihydroindol-2-one

4-(5-fluoro-6-propan-2-yl-3-pyridinyl)-1,3-dihydroindol-2-one;1-methyl-4-(5-propan-2-ylpyrimidin-2-yl)-3H-indol-2-one;2-(2-oxo-1,3-dihydroindol-4-yl)-5-propan-2-ylpyridine-4-carbonitrile;4-(5-propan-2-yl-2-pyridinyl)-1,3-dihydroindol-2-one;4-(6-propan-2-yl-3-pyridinyl)-1,3-dihydroindol-2-one (PubChem CID 158351402) has the molecular formula C81H79FN12O5 and a molecular weight of 1319.60 g/mol. Its IUPAC name is 4-(5-fluoro-6-propan-2-yl-3-pyridinyl)-1,3-dihydroindol-2-one;1-methyl-4-(5-propan-2-ylpyrimidin-2-yl)-3H-indol-2-one;2-(2-oxo-1,3-dihydroindol-4-yl)-5-propan-2-ylpyridine-4-carbonitrile;4-(5-propan-2-yl-2-pyridinyl)-1,3-dihydroindol-2-one;4-(6-propan-2-yl-3-pyridinyl)-1,3-dihydroindol-2-one.

Molecular Properties

Compound Name4-(5-fluoro-6-propan-2-yl-3-pyridinyl)-1,3-dihydroindol-2-one;1-methyl-4-(5-propan-2-ylpyrimidin-2-yl)-3H-indol-2-one;2-(2-oxo-1,3-dihydroindol-4-yl)-5-propan-2-ylpyridine-4-carbonitrile;4-(5-propan-2-yl-2-pyridinyl)-1,3-dihydroindol-2-one;4-(6-propan-2-yl-3-pyridinyl)-1,3-dihydroindol-2-one
PubChem CID158351402
Molecular FormulaC81H79FN12O5
Molecular Weight1319.60 g/mol
Exact Mass1318.63
IUPAC Name4-(5-fluoro-6-propan-2-yl-3-pyridinyl)-1,3-dihydroindol-2-one;1-methyl-4-(5-propan-2-ylpyrimidin-2-yl)-3H-indol-2-one;2-(2-oxo-1,3-dihydroindol-4-yl)-5-propan-2-ylpyridine-4-carbonitrile;4-(5-propan-2-yl-2-pyridinyl)-1,3-dihydroindol-2-one;4-(6-propan-2-yl-3-pyridinyl)-1,3-dihydroindol-2-one
SMILESCC(C)c1ccc(-c2cccc3c2CC(=O)N3)cn1.CC(C)c1ccc(-c2cccc3c2CC(=O)N3)nc1.CC(C)c1cnc(-c2cccc3c2CC(=O)N3)cc1C#N.CC(C)c1cnc(-c2cccc3c2CC(=O)N3C)nc1.CC(C)c1ncc(-c2cccc3c2CC(=O)N3)cc1F
InChIInChI=1S/C17H15N3O.C16H15FN2O.C16H17N3O.2C16H16N2O/c1-10(2)14-9-19-16(6-11(14)8-18)12-4-3-5-15-13(12)7-17(21)20-15;1-9(2)16-13(17)6-10(8-18-16)11-4-3-5-14-12(11)7-15(20)19-14;1-10(2)11-8-17-16(18-9-11)12-5-4-6-14-13(12)7-15(20)19(14)3;1-10(2)14-7-6-11(9-17-14)12-4-3-5-15-13(12)8-16(19)18-15;1-10(2)11-6-7-14(17-9-11)12-4-3-5-15-13(12)8-16(19)18-15/h3-6,9-10H,7H2,1-2H3,(H,20,21);3-6,8-9H,7H2,1-2H3,(H,19,20);4-6,8-10H,7H2,1-3H3;2*3-7,9-10H,8H2,1-2H3,(H,18,19)
InChIKeyGSJAQIMWCWHHKO-UHFFFAOYSA-N
XLogP16.26
TPSA237.84 Ų
H-Bond Donors4
H-Bond Acceptors12
Rotatable Bonds10
Heavy Atoms99
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001319.60
LogP ≤ 516.26
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1012

Analyze 4-(5-fluoro-6-propan-2-yl-3-pyridinyl)-1,3-dihydroindol-2-one;1-methyl-4-(5-propan-2-ylpyrimidin-2-yl)-3H-indol-2-one;2-(2-oxo-1,3-dihydroindol-4-yl)-5-propan-2-ylpyridine-4-carbonitrile;4-(5-propan-2-yl-2-pyridinyl)-1,3-dihydroindol-2-one;4-(6-propan-2-yl-3-pyridinyl)-1,3-dihydroindol-2-one with MolForge

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Related Compounds

5-[[4-[Methyl(2-pyridin-2-ylethyl)amino]pyrimidin-2-yl]amino]-1,3-dihydroindol-2-one;2-[(2-oxo-1,3-dihydroindol-5-yl)amino]-4-[[2-(trifluoromethyl)phenyl]methylamino]pyrimidine-5-carbonitrile
CID 69705228
3-[6-[(1R,4R)-5-[3-[1-[5-[(1R,3R)-2-(2-fluoro-2-methylpropyl)-3-methyl-1,3,4,9-tetrahydropyrido[3,4-b]indol-1-yl]pyrimidin-2-yl]piperidin-4-yl]propyl]-2,5-diazabicyclo[2.2.1]heptan-2-yl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 155166669
3-[6-[(1R,4R)-5-[3-[1-[5-[(1R)-2-(2-fluoro-2-methylpropyl)-1,3,4,9-tetrahydropyrido[3,4-b]indol-1-yl]pyrimidin-2-yl]piperidin-4-yl]propyl]-2,5-diazabicyclo[2.2.1]heptan-2-yl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 155184414
4-methyl-N-[3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)phenyl]-3-[(5-methyl-2-pyridin-3-ylpyrrolo[3,2-d]pyrimidin-4-yl)amino]benzamide;4-methyl-N-[4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]-3-[(5-methyl-2-pyridin-3-ylpyrrolo[3,2-d]pyrimidin-4-yl)amino]benzamide;2-[4-methyl-3-[(5-methyl-2-pyridin-4-ylpyrrolo[3,2-d]pyrimidin-4-yl)amino]phenyl]-1-[3-(trifluoromethyl)phenyl]ethanone;4-methyl-3-[(5-methyl-2-pyridin-3-ylpyrrolo[3,2-d]pyrimidin-4-yl)amino]-N-[3-(trifluoromethyl)phenyl]benzamide;4-methyl-3-[(5-methyl-2-pyridin-4-ylpyrrolo[3,2-d]pyrimidin-4-yl)amino]-N-[3-(trifluoromethyl)phenyl]benzamide
CID 157053327
5-(3,3-dimethyl-2-oxo-1-pyridin-2-ylindol-4-yl)-2-methyl-N-(4-methylphenyl)pyridine-3-carboxamide;5-(3,3-dimethyl-2-oxo-1-pyridin-3-ylindol-4-yl)-N-(5-methyl-2-pyridinyl)-2-(trifluoromethyl)pyridine-3-carboxamide;5-(3,3-dimethyl-2-oxo-1-pyridin-3-ylindol-4-yl)-N-phenyl-2-(trifluoromethyl)pyridine-3-carboxamide;5-(3,3-dimethyl-2-oxo-1-pyrimidin-4-ylindol-4-yl)-N-(3-fluoro-4-methylphenyl)-2-(trifluoromethyl)pyridine-3-carboxamide
CID 157096621
(3-Fluoro-2-iodophenyl)-[2-[[5-(trifluoromethyl)pyrimidin-2-yl]methyl]-7-azabicyclo[2.2.1]heptan-7-yl]methanone;(3-fluoro-2-pyrimidin-2-ylphenyl)-[2-[(5-methylpyrazin-2-yl)methyl]-7-azabicyclo[2.2.1]heptan-7-yl]methanone;(3-fluoro-2-pyrimidin-2-ylphenyl)-[2-[[5-(trifluoromethyl)-2-pyridinyl]methyl]-7-azabicyclo[2.2.1]heptan-7-yl]methanone
CID 157254341
1H-indol-2-yl-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;tetrakis((6-methyl-1H-pyrrolo[3,2-b]pyridin-2-yl)-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone);1H-pyrrolo[2,3-b]pyridin-2-yl-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;1H-pyrrolo[3,2-b]pyridin-2-yl-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;1H-pyrrolo[2,3-c]pyridin-2-yl-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone
CID 157255418
N-[2-fluoro-5-(trifluoromethyl)phenyl]-4-methyl-3-[(4-pyridin-3-yl-5H-pyrrolo[3,2-d]pyrimidin-2-yl)methyl]benzamide;4-methyl-N-[3-methyl-5-(4-methylimidazol-1-yl)phenyl]-3-[(4-pyridin-3-yl-5H-pyrrolo[3,2-d]pyrimidin-2-yl)methyl]benzamide;4-methyl-N-[4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]-3-[(4-pyridin-3-yl-5H-pyrrolo[3,2-d]pyrimidin-2-yl)methyl]benzamide;4-methyl-N-[2-methyl-5-(trifluoromethyl)phenyl]-3-[(4-pyridin-3-yl-5H-pyrrolo[3,2-d]pyrimidin-2-yl)methyl]benzamide
CID 157294126
1-ethyl-5-fluoro-N-(5-fluoro-3-pyridinyl)indole-3-carboxamide;1-(1-ethyl-5-fluoroindol-3-yl)-2-[6-(trifluoromethyl)-3-pyridinyl]ethanone;1-(1-ethyl-5-fluoroindol-3-yl)-2-[2-(trifluoromethyl)pyrimidin-4-yl]ethanone;1-ethyl-5-fluoro-N-[6-(trifluoromethyl)pyrimidin-4-yl]indole-3-carboxamide;5-fluoro-N-(5-fluoro-3-pyridinyl)-1-propan-2-ylindole-3-carboxamide;5-fluoro-1-methyl-N-[2-(trifluoromethyl)-4-pyridinyl]indole-3-carboxamide
CID 157300408
5-(3,3-dimethyl-2-oxo-1-pyridin-3-ylindol-4-yl)-2-methyl-N-(4-methylphenyl)pyridine-3-carboxamide;5-(3,3-dimethyl-2-oxo-1-pyrimidin-2-ylindol-4-yl)-N-(3-fluoro-4-methylphenyl)-2-(trifluoromethyl)pyridine-3-carboxamide;5-(3,3-dimethyl-2-oxo-1-pyrimidin-2-ylindol-4-yl)-2-methyl-N-(4-methylphenyl)pyridine-3-carboxamide;5-[1-(5-fluoro-3-pyridinyl)-3,3-dimethyl-2-oxoindol-4-yl]-N-(4-methylphenyl)-2-(trifluoromethyl)pyridine-3-carboxamide
CID 157478017
methane;7-[[4-[1-methyl-5-(trifluoromethyl)imidazol-2-yl]phenyl]methyl]-2-(2-propan-2-ylphenyl)-5H-pyrrolo[2,3-d]pyrimidin-6-one;N-[3-[[6-oxo-2-(2-propan-2-ylphenyl)-5H-pyrrolo[2,3-d]pyrimidin-7-yl]methyl]phenyl]acetamide;N-[4-[[6-oxo-2-(2-propan-2-ylphenyl)-5H-pyrrolo[2,3-d]pyrimidin-7-yl]methyl]phenyl]acetamide
CID 157663295
CID 157708815
CID 157708815

Frequently Asked Questions

What is the IUPAC name of 4-(5-fluoro-6-propan-2-yl-3-pyridinyl)-1,3-dihydroindol-2-one;1-methyl-4-(5-propan-2-ylpyrimidin-2-yl)-3H-indol-2-one;2-(2-oxo-1,3-dihydroindol-4-yl)-5-propan-2-ylpyridine-4-carbonitrile;4-(5-propan-2-yl-2-pyridinyl)-1,3-dihydroindol-2-one;4-(6-propan-2-yl-3-pyridinyl)-1,3-dihydroindol-2-one?
The IUPAC name of 4-(5-fluoro-6-propan-2-yl-3-pyridinyl)-1,3-dihydroindol-2-one;1-methyl-4-(5-propan-2-ylpyrimidin-2-yl)-3H-indol-2-one;2-(2-oxo-1,3-dihydroindol-4-yl)-5-propan-2-ylpyridine-4-carbonitrile;4-(5-propan-2-yl-2-pyridinyl)-1,3-dihydroindol-2-one;4-(6-propan-2-yl-3-pyridinyl)-1,3-dihydroindol-2-one (CID 158351402) is 4-(5-fluoro-6-propan-2-yl-3-pyridinyl)-1,3-dihydroindol-2-one;1-methyl-4-(5-propan-2-ylpyrimidin-2-yl)-3H-indol-2-one;2-(2-oxo-1,3-dihydroindol-4-yl)-5-propan-2-ylpyridine-4-carbonitrile;4-(5-propan-2-yl-2-pyridinyl)-1,3-dihydroindol-2-one;4-(6-propan-2-yl-3-pyridinyl)-1,3-dihydroindol-2-one.
What is the SMILES notation for 4-(5-fluoro-6-propan-2-yl-3-pyridinyl)-1,3-dihydroindol-2-one;1-methyl-4-(5-propan-2-ylpyrimidin-2-yl)-3H-indol-2-one;2-(2-oxo-1,3-dihydroindol-4-yl)-5-propan-2-ylpyridine-4-carbonitrile;4-(5-propan-2-yl-2-pyridinyl)-1,3-dihydroindol-2-one;4-(6-propan-2-yl-3-pyridinyl)-1,3-dihydroindol-2-one?
The canonical SMILES for 4-(5-fluoro-6-propan-2-yl-3-pyridinyl)-1,3-dihydroindol-2-one;1-methyl-4-(5-propan-2-ylpyrimidin-2-yl)-3H-indol-2-one;2-(2-oxo-1,3-dihydroindol-4-yl)-5-propan-2-ylpyridine-4-carbonitrile;4-(5-propan-2-yl-2-pyridinyl)-1,3-dihydroindol-2-one;4-(6-propan-2-yl-3-pyridinyl)-1,3-dihydroindol-2-one is CC(C)c1ccc(-c2cccc3c2CC(=O)N3)cn1.CC(C)c1ccc(-c2cccc3c2CC(=O)N3)nc1.CC(C)c1cnc(-c2cccc3c2CC(=O)N3)cc1C#N.CC(C)c1cnc(-c2cccc3c2CC(=O)N3C)nc1.CC(C)c1ncc(-c2cccc3c2CC(=O)N3)cc1F.
What is the InChIKey of 4-(5-fluoro-6-propan-2-yl-3-pyridinyl)-1,3-dihydroindol-2-one;1-methyl-4-(5-propan-2-ylpyrimidin-2-yl)-3H-indol-2-one;2-(2-oxo-1,3-dihydroindol-4-yl)-5-propan-2-ylpyridine-4-carbonitrile;4-(5-propan-2-yl-2-pyridinyl)-1,3-dihydroindol-2-one;4-(6-propan-2-yl-3-pyridinyl)-1,3-dihydroindol-2-one?
The InChIKey is GSJAQIMWCWHHKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N3O.C16H15FN2O.C16H17N3O.2C16H16N2O/c1-10(2)14-9-19-16(6-11(14)8-18)12-4-3-5-15-13(12)7-17(21)20-15;1-9(2)16-13(17)6-10(8-18-16)11-4-3-5-14-12(11)7-15(20)19-14;1-10(2)11-8-17-16(18-9-11)12-5-4-6-14-13(12)7-15(20)19(14)3;1-10(2)14-7-6-11(9-17-14)12-4-3-5-15-13(12)8-16(19)18-15;1-10(2)11-6-7-14(17-9-11)12-4-3-5-15-13(12)8-16(19)18-15/h3-6,9-10H,7H2,1-2H3,(H,20,21);3-6,8-9H,7H2,1-2H3,(H,19,20);4-6,8-10H,7H2,1-3H3;2*3-7,9-10H,8H2,1-2H3,(H,18,19).
What are the key properties of 4-(5-fluoro-6-propan-2-yl-3-pyridinyl)-1,3-dihydroindol-2-one;1-methyl-4-(5-propan-2-ylpyrimidin-2-yl)-3H-indol-2-one;2-(2-oxo-1,3-dihydroindol-4-yl)-5-propan-2-ylpyridine-4-carbonitrile;4-(5-propan-2-yl-2-pyridinyl)-1,3-dihydroindol-2-one;4-(6-propan-2-yl-3-pyridinyl)-1,3-dihydroindol-2-one?
4-(5-fluoro-6-propan-2-yl-3-pyridinyl)-1,3-dihydroindol-2-one;1-methyl-4-(5-propan-2-ylpyrimidin-2-yl)-3H-indol-2-one;2-(2-oxo-1,3-dihydroindol-4-yl)-5-propan-2-ylpyridine-4-carbonitrile;4-(5-propan-2-yl-2-pyridinyl)-1,3-dihydroindol-2-one;4-(6-propan-2-yl-3-pyridinyl)-1,3-dihydroindol-2-one has a molecular weight of 1319.60 g/mol, XLogP of 16.26, 10 rotatable bonds, 4 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-fluoro-6-propan-2-yl-3-pyridinyl)-1,3-dihydroindol-2-one;1-methyl-4-(5-propan-2-ylpyrimidin-2-yl)-3H-indol-2-one;2-(2-oxo-1,3-dihydroindol-4-yl)-5-propan-2-ylpyridine-4-carbonitrile;4-(5-propan-2-yl-2-pyridinyl)-1,3-dihydroindol-2-one;4-(6-propan-2-yl-3-pyridinyl)-1,3-dihydroindol-2-one is sourced from PubChem (CID 158351402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).