2-[[2-fluoro-4-(1-methylindol-6-yl)phenyl]methyl]-3H-isoindol-1-one;6-[[2-fluoro-4-(1-methylpyrazol-4-yl)phenyl]methyl]-7H-pyrrolo[3,4-b]pyridin-5-one;2-[(2-fluoro-4-pyridin-4-ylphenyl)methyl]-3H-isoindol-1-one;2-[[4-(1-methylpyrazol-4-yl)-2-(trifluoromethyl)phenyl]methyl]-3H-isoindol-1-one

C82H65F6N11O4 — CID 158460730

IUPAC2-[[2-fluoro-4-(1-methylindol-6-yl)phenyl]methyl]-3H-isoindol-1-one;6-[[2-fluoro-4-(1-methylpyrazol-4-yl)phenyl]methyl]-7H-pyrrolo[3,4-b]pyridin-5-one;2-[(2-fluoro-4-pyridin-4-ylphenyl)methyl]-3H-isoindol-1-one;2-[[4-(1-methylpyrazol-4-yl)-2-(trifluoromethyl)phenyl]methyl]-3H-isoindol-1-one
SMILESCn1cc(-c2ccc(CN3Cc4ccccc4C3=O)c(C(F)(F)F)c2)cn1.Cn1cc(-c2ccc(CN3Cc4ncccc4C3=O)c(F)c2)cn1.Cn1ccc2ccc(-c3ccc(CN4Cc5ccccc5C4=O)c(F)c3)cc21.O=C1c2ccccc2CN1Cc1ccc(-c2ccncc2)cc1F
InChIInChI=1S/C24H19FN2O.C20H16F3N3O.C20H15FN2O.C18H15FN4O/c1-26-11-10-16-6-7-18(13-23(16)26)17-8-9-20(22(25)12-17)15-27-14-19-4-2-3-5-21(19)24(27)28;1-25-10-16(9-24-25)13-6-7-15(18(8-13)20(21,22)23)12-26-11-14-4-2-3-5-17(14)19(26)27;21-19-11-15(14-7-9-22-10-8-14)5-6-17(19)13-23-12-16-3-1-2-4-18(16)20(23)24;1-22-9-14(8-21-22)12-4-5-13(16(19)7-12)10-23-11-17-15(18(23)24)3-2-6-20-17/h2-13H,14-15H2,1H3;2-10H,11-12H2,1H3;1-11H,12-13H2;2-9H,10-11H2,1H3
InChIKeyHFDFTPCRPWLCIG-UHFFFAOYSA-N
MW1382.48 g/mol
LogP16.22
Rot. Bonds12

About 2-[[2-fluoro-4-(1-methylindol-6-yl)phenyl]methyl]-3H-isoindol-1-one;6-[[2-fluoro-4-(1-methylpyrazol-4-yl)phenyl]methyl]-7H-pyrrolo[3,4-b]pyridin-5-one;2-[(2-fluoro-4-pyridin-4-ylphenyl)methyl]-3H-isoindol-1-one;2-[[4-(1-methylpyrazol-4-yl)-2-(trifluoromethyl)phenyl]methyl]-3H-isoindol-1-one

2-[[2-fluoro-4-(1-methylindol-6-yl)phenyl]methyl]-3H-isoindol-1-one;6-[[2-fluoro-4-(1-methylpyrazol-4-yl)phenyl]methyl]-7H-pyrrolo[3,4-b]pyridin-5-one;2-[(2-fluoro-4-pyridin-4-ylphenyl)methyl]-3H-isoindol-1-one;2-[[4-(1-methylpyrazol-4-yl)-2-(trifluoromethyl)phenyl]methyl]-3H-isoindol-1-one (PubChem CID 158460730) has the molecular formula C82H65F6N11O4 and a molecular weight of 1382.48 g/mol. Its IUPAC name is 2-[[2-fluoro-4-(1-methylindol-6-yl)phenyl]methyl]-3H-isoindol-1-one;6-[[2-fluoro-4-(1-methylpyrazol-4-yl)phenyl]methyl]-7H-pyrrolo[3,4-b]pyridin-5-one;2-[(2-fluoro-4-pyridin-4-ylphenyl)methyl]-3H-isoindol-1-one;2-[[4-(1-methylpyrazol-4-yl)-2-(trifluoromethyl)phenyl]methyl]-3H-isoindol-1-one.

Molecular Properties

Compound Name2-[[2-fluoro-4-(1-methylindol-6-yl)phenyl]methyl]-3H-isoindol-1-one;6-[[2-fluoro-4-(1-methylpyrazol-4-yl)phenyl]methyl]-7H-pyrrolo[3,4-b]pyridin-5-one;2-[(2-fluoro-4-pyridin-4-ylphenyl)methyl]-3H-isoindol-1-one;2-[[4-(1-methylpyrazol-4-yl)-2-(trifluoromethyl)phenyl]methyl]-3H-isoindol-1-one
PubChem CID158460730
Molecular FormulaC82H65F6N11O4
Molecular Weight1382.48 g/mol
Exact Mass1381.51
IUPAC Name2-[[2-fluoro-4-(1-methylindol-6-yl)phenyl]methyl]-3H-isoindol-1-one;6-[[2-fluoro-4-(1-methylpyrazol-4-yl)phenyl]methyl]-7H-pyrrolo[3,4-b]pyridin-5-one;2-[(2-fluoro-4-pyridin-4-ylphenyl)methyl]-3H-isoindol-1-one;2-[[4-(1-methylpyrazol-4-yl)-2-(trifluoromethyl)phenyl]methyl]-3H-isoindol-1-one
SMILESCn1cc(-c2ccc(CN3Cc4ccccc4C3=O)c(C(F)(F)F)c2)cn1.Cn1cc(-c2ccc(CN3Cc4ncccc4C3=O)c(F)c2)cn1.Cn1ccc2ccc(-c3ccc(CN4Cc5ccccc5C4=O)c(F)c3)cc21.O=C1c2ccccc2CN1Cc1ccc(-c2ccncc2)cc1F
InChIInChI=1S/C24H19FN2O.C20H16F3N3O.C20H15FN2O.C18H15FN4O/c1-26-11-10-16-6-7-18(13-23(16)26)17-8-9-20(22(25)12-17)15-27-14-19-4-2-3-5-21(19)24(27)28;1-25-10-16(9-24-25)13-6-7-15(18(8-13)20(21,22)23)12-26-11-14-4-2-3-5-17(14)19(26)27;21-19-11-15(14-7-9-22-10-8-14)5-6-17(19)13-23-12-16-3-1-2-4-18(16)20(23)24;1-22-9-14(8-21-22)12-4-5-13(16(19)7-12)10-23-11-17-15(18(23)24)3-2-6-20-17/h2-13H,14-15H2,1H3;2-10H,11-12H2,1H3;1-11H,12-13H2;2-9H,10-11H2,1H3
InChIKeyHFDFTPCRPWLCIG-UHFFFAOYSA-N
XLogP16.22
TPSA147.59 Ų
H-Bond Donors
H-Bond Acceptors11
Rotatable Bonds12
Heavy Atoms103
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001382.48
LogP ≤ 516.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1011

Analyze 2-[[2-fluoro-4-(1-methylindol-6-yl)phenyl]methyl]-3H-isoindol-1-one;6-[[2-fluoro-4-(1-methylpyrazol-4-yl)phenyl]methyl]-7H-pyrrolo[3,4-b]pyridin-5-one;2-[(2-fluoro-4-pyridin-4-ylphenyl)methyl]-3H-isoindol-1-one;2-[[4-(1-methylpyrazol-4-yl)-2-(trifluoromethyl)phenyl]methyl]-3H-isoindol-1-one with MolForge

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Related Compounds

6-[[2,6-difluoro-4-(2-methyl-2H-indazol-4-yl)phenyl]methyl]-6,7-dihydro-5H-Pyrrolo[3,4-b]pyridin-5-one
CID 71555143
US12473304, Example 93
CID 156828904
US12473304, Example 95
CID 156828907
US12473304, Example 373
CID 156829376
US12473304, Example 346
CID 156829379
US12473304, Example 326
CID 156829408
US12473304, Example 372
CID 156829491
US12473304, Example 378
CID 156829511
US12473304, Example 331
CID 156829671
US12473304, Example 376
CID 156829763
US12473304, Example 327
CID 156829939
US12473304, Example 335
CID 156829941

Frequently Asked Questions

What is the IUPAC name of 2-[[2-fluoro-4-(1-methylindol-6-yl)phenyl]methyl]-3H-isoindol-1-one;6-[[2-fluoro-4-(1-methylpyrazol-4-yl)phenyl]methyl]-7H-pyrrolo[3,4-b]pyridin-5-one;2-[(2-fluoro-4-pyridin-4-ylphenyl)methyl]-3H-isoindol-1-one;2-[[4-(1-methylpyrazol-4-yl)-2-(trifluoromethyl)phenyl]methyl]-3H-isoindol-1-one?
The IUPAC name of 2-[[2-fluoro-4-(1-methylindol-6-yl)phenyl]methyl]-3H-isoindol-1-one;6-[[2-fluoro-4-(1-methylpyrazol-4-yl)phenyl]methyl]-7H-pyrrolo[3,4-b]pyridin-5-one;2-[(2-fluoro-4-pyridin-4-ylphenyl)methyl]-3H-isoindol-1-one;2-[[4-(1-methylpyrazol-4-yl)-2-(trifluoromethyl)phenyl]methyl]-3H-isoindol-1-one (CID 158460730) is 2-[[2-fluoro-4-(1-methylindol-6-yl)phenyl]methyl]-3H-isoindol-1-one;6-[[2-fluoro-4-(1-methylpyrazol-4-yl)phenyl]methyl]-7H-pyrrolo[3,4-b]pyridin-5-one;2-[(2-fluoro-4-pyridin-4-ylphenyl)methyl]-3H-isoindol-1-one;2-[[4-(1-methylpyrazol-4-yl)-2-(trifluoromethyl)phenyl]methyl]-3H-isoindol-1-one.
What is the SMILES notation for 2-[[2-fluoro-4-(1-methylindol-6-yl)phenyl]methyl]-3H-isoindol-1-one;6-[[2-fluoro-4-(1-methylpyrazol-4-yl)phenyl]methyl]-7H-pyrrolo[3,4-b]pyridin-5-one;2-[(2-fluoro-4-pyridin-4-ylphenyl)methyl]-3H-isoindol-1-one;2-[[4-(1-methylpyrazol-4-yl)-2-(trifluoromethyl)phenyl]methyl]-3H-isoindol-1-one?
The canonical SMILES for 2-[[2-fluoro-4-(1-methylindol-6-yl)phenyl]methyl]-3H-isoindol-1-one;6-[[2-fluoro-4-(1-methylpyrazol-4-yl)phenyl]methyl]-7H-pyrrolo[3,4-b]pyridin-5-one;2-[(2-fluoro-4-pyridin-4-ylphenyl)methyl]-3H-isoindol-1-one;2-[[4-(1-methylpyrazol-4-yl)-2-(trifluoromethyl)phenyl]methyl]-3H-isoindol-1-one is Cn1cc(-c2ccc(CN3Cc4ccccc4C3=O)c(C(F)(F)F)c2)cn1.Cn1cc(-c2ccc(CN3Cc4ncccc4C3=O)c(F)c2)cn1.Cn1ccc2ccc(-c3ccc(CN4Cc5ccccc5C4=O)c(F)c3)cc21.O=C1c2ccccc2CN1Cc1ccc(-c2ccncc2)cc1F.
What is the InChIKey of 2-[[2-fluoro-4-(1-methylindol-6-yl)phenyl]methyl]-3H-isoindol-1-one;6-[[2-fluoro-4-(1-methylpyrazol-4-yl)phenyl]methyl]-7H-pyrrolo[3,4-b]pyridin-5-one;2-[(2-fluoro-4-pyridin-4-ylphenyl)methyl]-3H-isoindol-1-one;2-[[4-(1-methylpyrazol-4-yl)-2-(trifluoromethyl)phenyl]methyl]-3H-isoindol-1-one?
The InChIKey is HFDFTPCRPWLCIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19FN2O.C20H16F3N3O.C20H15FN2O.C18H15FN4O/c1-26-11-10-16-6-7-18(13-23(16)26)17-8-9-20(22(25)12-17)15-27-14-19-4-2-3-5-21(19)24(27)28;1-25-10-16(9-24-25)13-6-7-15(18(8-13)20(21,22)23)12-26-11-14-4-2-3-5-17(14)19(26)27;21-19-11-15(14-7-9-22-10-8-14)5-6-17(19)13-23-12-16-3-1-2-4-18(16)20(23)24;1-22-9-14(8-21-22)12-4-5-13(16(19)7-12)10-23-11-17-15(18(23)24)3-2-6-20-17/h2-13H,14-15H2,1H3;2-10H,11-12H2,1H3;1-11H,12-13H2;2-9H,10-11H2,1H3.
What are the key properties of 2-[[2-fluoro-4-(1-methylindol-6-yl)phenyl]methyl]-3H-isoindol-1-one;6-[[2-fluoro-4-(1-methylpyrazol-4-yl)phenyl]methyl]-7H-pyrrolo[3,4-b]pyridin-5-one;2-[(2-fluoro-4-pyridin-4-ylphenyl)methyl]-3H-isoindol-1-one;2-[[4-(1-methylpyrazol-4-yl)-2-(trifluoromethyl)phenyl]methyl]-3H-isoindol-1-one?
2-[[2-fluoro-4-(1-methylindol-6-yl)phenyl]methyl]-3H-isoindol-1-one;6-[[2-fluoro-4-(1-methylpyrazol-4-yl)phenyl]methyl]-7H-pyrrolo[3,4-b]pyridin-5-one;2-[(2-fluoro-4-pyridin-4-ylphenyl)methyl]-3H-isoindol-1-one;2-[[4-(1-methylpyrazol-4-yl)-2-(trifluoromethyl)phenyl]methyl]-3H-isoindol-1-one has a molecular weight of 1382.48 g/mol, XLogP of 16.22, 12 rotatable bonds, 0 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-fluoro-4-(1-methylindol-6-yl)phenyl]methyl]-3H-isoindol-1-one;6-[[2-fluoro-4-(1-methylpyrazol-4-yl)phenyl]methyl]-7H-pyrrolo[3,4-b]pyridin-5-one;2-[(2-fluoro-4-pyridin-4-ylphenyl)methyl]-3H-isoindol-1-one;2-[[4-(1-methylpyrazol-4-yl)-2-(trifluoromethyl)phenyl]methyl]-3H-isoindol-1-one is sourced from PubChem (CID 158460730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).