5,7-difluoro-2-[[2-fluoro-4-(1-methylpyrazol-4-yl)phenyl]methyl]-3H-isoindol-1-one;2-[[4-(1,3-dimethylpyrazol-4-yl)-2-fluorophenyl]methyl]-3H-isoindol-1-one;6-[[2-fluoro-4-(2-methylidene-1,3-dihydroindol-5-yl)phenyl]methyl]-7H-pyrrolo[3,4-b]pyridin-5-one;2-[[2-fluoro-4-(1-methylpyrazol-4-yl)phenyl]methyl]-3H-isoindol-1-one;2-[[2-fluoro-4-(1-methylpyrazol-4-yl)phenyl]methyl]-1H-pyrrolo[3,4-c]pyridin-3-one

C99H81F7N16O5 — CID 160690592

IUPAC5,7-difluoro-2-[[2-fluoro-4-(1-methylpyrazol-4-yl)phenyl]methyl]-3H-isoindol-1-one;2-[[4-(1,3-dimethylpyrazol-4-yl)-2-fluorophenyl]methyl]-3H-isoindol-1-one;6-[[2-fluoro-4-(2-methylidene-1,3-dihydroindol-5-yl)phenyl]methyl]-7H-pyrrolo[3,4-b]pyridin-5-one;2-[[2-fluoro-4-(1-methylpyrazol-4-yl)phenyl]methyl]-3H-isoindol-1-one;2-[[2-fluoro-4-(1-methylpyrazol-4-yl)phenyl]methyl]-1H-pyrrolo[3,4-c]pyridin-3-one
SMILESC=C1Cc2cc(-c3ccc(CN4Cc5ncccc5C4=O)c(F)c3)ccc2N1.Cc1nn(C)cc1-c1ccc(CN2Cc3ccccc3C2=O)c(F)c1.Cn1cc(-c2ccc(CN3Cc4cc(F)cc(F)c4C3=O)c(F)c2)cn1.Cn1cc(-c2ccc(CN3Cc4ccccc4C3=O)c(F)c2)cn1.Cn1cc(-c2ccc(CN3Cc4ccncc4C3=O)c(F)c2)cn1
InChIInChI=1S/C23H18FN3O.C20H18FN3O.C19H14F3N3O.C19H16FN3O.C18H15FN4O/c1-14-9-18-10-15(6-7-21(18)26-14)16-4-5-17(20(24)11-16)12-27-13-22-19(23(27)28)3-2-8-25-22;1-13-18(12-23(2)22-13)14-7-8-16(19(21)9-14)11-24-10-15-5-3-4-6-17(15)20(24)25;1-24-8-14(7-23-24)11-2-3-12(16(21)5-11)9-25-10-13-4-15(20)6-17(22)18(13)19(25)26;1-22-10-16(9-21-22)13-6-7-15(18(20)8-13)12-23-11-14-4-2-3-5-17(14)19(23)24;1-22-9-15(7-21-22)12-2-3-14(17(19)6-12)11-23-10-13-4-5-20-8-16(13)18(23)24/h2-8,10-11,26H,1,9,12-13H2;3-9,12H,10-11H2,1-2H3;2-8H,9-10H2,1H3;2-10H,11-12H2,1H3;2-9H,10-11H2,1H3
InChIKeyRPIVVHIKJBAHFF-UHFFFAOYSA-N
MW1707.83 g/mol
LogP18.04
Rot. Bonds15

About 5,7-difluoro-2-[[2-fluoro-4-(1-methylpyrazol-4-yl)phenyl]methyl]-3H-isoindol-1-one;2-[[4-(1,3-dimethylpyrazol-4-yl)-2-fluorophenyl]methyl]-3H-isoindol-1-one;6-[[2-fluoro-4-(2-methylidene-1,3-dihydroindol-5-yl)phenyl]methyl]-7H-pyrrolo[3,4-b]pyridin-5-one;2-[[2-fluoro-4-(1-methylpyrazol-4-yl)phenyl]methyl]-3H-isoindol-1-one;2-[[2-fluoro-4-(1-methylpyrazol-4-yl)phenyl]methyl]-1H-pyrrolo[3,4-c]pyridin-3-one

5,7-difluoro-2-[[2-fluoro-4-(1-methylpyrazol-4-yl)phenyl]methyl]-3H-isoindol-1-one;2-[[4-(1,3-dimethylpyrazol-4-yl)-2-fluorophenyl]methyl]-3H-isoindol-1-one;6-[[2-fluoro-4-(2-methylidene-1,3-dihydroindol-5-yl)phenyl]methyl]-7H-pyrrolo[3,4-b]pyridin-5-one;2-[[2-fluoro-4-(1-methylpyrazol-4-yl)phenyl]methyl]-3H-isoindol-1-one;2-[[2-fluoro-4-(1-methylpyrazol-4-yl)phenyl]methyl]-1H-pyrrolo[3,4-c]pyridin-3-one (PubChem CID 160690592) has the molecular formula C99H81F7N16O5 and a molecular weight of 1707.83 g/mol. Its IUPAC name is 5,7-difluoro-2-[[2-fluoro-4-(1-methylpyrazol-4-yl)phenyl]methyl]-3H-isoindol-1-one;2-[[4-(1,3-dimethylpyrazol-4-yl)-2-fluorophenyl]methyl]-3H-isoindol-1-one;6-[[2-fluoro-4-(2-methylidene-1,3-dihydroindol-5-yl)phenyl]methyl]-7H-pyrrolo[3,4-b]pyridin-5-one;2-[[2-fluoro-4-(1-methylpyrazol-4-yl)phenyl]methyl]-3H-isoindol-1-one;2-[[2-fluoro-4-(1-methylpyrazol-4-yl)phenyl]methyl]-1H-pyrrolo[3,4-c]pyridin-3-one.

Molecular Properties

Compound Name5,7-difluoro-2-[[2-fluoro-4-(1-methylpyrazol-4-yl)phenyl]methyl]-3H-isoindol-1-one;2-[[4-(1,3-dimethylpyrazol-4-yl)-2-fluorophenyl]methyl]-3H-isoindol-1-one;6-[[2-fluoro-4-(2-methylidene-1,3-dihydroindol-5-yl)phenyl]methyl]-7H-pyrrolo[3,4-b]pyridin-5-one;2-[[2-fluoro-4-(1-methylpyrazol-4-yl)phenyl]methyl]-3H-isoindol-1-one;2-[[2-fluoro-4-(1-methylpyrazol-4-yl)phenyl]methyl]-1H-pyrrolo[3,4-c]pyridin-3-one
PubChem CID160690592
Molecular FormulaC99H81F7N16O5
Molecular Weight1707.83 g/mol
Exact Mass1706.65
IUPAC Name5,7-difluoro-2-[[2-fluoro-4-(1-methylpyrazol-4-yl)phenyl]methyl]-3H-isoindol-1-one;2-[[4-(1,3-dimethylpyrazol-4-yl)-2-fluorophenyl]methyl]-3H-isoindol-1-one;6-[[2-fluoro-4-(2-methylidene-1,3-dihydroindol-5-yl)phenyl]methyl]-7H-pyrrolo[3,4-b]pyridin-5-one;2-[[2-fluoro-4-(1-methylpyrazol-4-yl)phenyl]methyl]-3H-isoindol-1-one;2-[[2-fluoro-4-(1-methylpyrazol-4-yl)phenyl]methyl]-1H-pyrrolo[3,4-c]pyridin-3-one
SMILESC=C1Cc2cc(-c3ccc(CN4Cc5ncccc5C4=O)c(F)c3)ccc2N1.Cc1nn(C)cc1-c1ccc(CN2Cc3ccccc3C2=O)c(F)c1.Cn1cc(-c2ccc(CN3Cc4cc(F)cc(F)c4C3=O)c(F)c2)cn1.Cn1cc(-c2ccc(CN3Cc4ccccc4C3=O)c(F)c2)cn1.Cn1cc(-c2ccc(CN3Cc4ccncc4C3=O)c(F)c2)cn1
InChIInChI=1S/C23H18FN3O.C20H18FN3O.C19H14F3N3O.C19H16FN3O.C18H15FN4O/c1-14-9-18-10-15(6-7-21(18)26-14)16-4-5-17(20(24)11-16)12-27-13-22-19(23(27)28)3-2-8-25-22;1-13-18(12-23(2)22-13)14-7-8-16(19(21)9-14)11-24-10-15-5-3-4-6-17(15)20(24)25;1-24-8-14(7-23-24)11-2-3-12(16(21)5-11)9-25-10-13-4-15(20)6-17(22)18(13)19(25)26;1-22-10-16(9-21-22)13-6-7-15(18(20)8-13)12-23-11-14-4-2-3-5-17(14)19(23)24;1-22-9-15(7-21-22)12-2-3-14(17(19)6-12)11-23-10-13-4-5-20-8-16(13)18(23)24/h2-8,10-11,26H,1,9,12-13H2;3-9,12H,10-11H2,1-2H3;2-8H,9-10H2,1H3;2-10H,11-12H2,1H3;2-9H,10-11H2,1H3
InChIKeyRPIVVHIKJBAHFF-UHFFFAOYSA-N
XLogP18.04
TPSA210.64 Ų
H-Bond Donors1
H-Bond Acceptors16
Rotatable Bonds15
Heavy Atoms127
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001707.83
LogP ≤ 518.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1016

Analyze 5,7-difluoro-2-[[2-fluoro-4-(1-methylpyrazol-4-yl)phenyl]methyl]-3H-isoindol-1-one;2-[[4-(1,3-dimethylpyrazol-4-yl)-2-fluorophenyl]methyl]-3H-isoindol-1-one;6-[[2-fluoro-4-(2-methylidene-1,3-dihydroindol-5-yl)phenyl]methyl]-7H-pyrrolo[3,4-b]pyridin-5-one;2-[[2-fluoro-4-(1-methylpyrazol-4-yl)phenyl]methyl]-3H-isoindol-1-one;2-[[2-fluoro-4-(1-methylpyrazol-4-yl)phenyl]methyl]-1H-pyrrolo[3,4-c]pyridin-3-one with MolForge

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Related Compounds

2-fluoro-5-(1-methyl-1H-pyrazol-3-yl)-N-(5-oxo-2-phenyl-6,7-dihydro-5H-pyrrolo[3,4-b]pyridin-3-yl)-4-(trifluoromethyl)benzamide
CID 118393478
N-[4-(4-butanoyl-5-methylpyrazol-1-yl)phenyl]-5-methyl-1-[2-[(1S,4S)-5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl]-2-oxoethyl]indole-3-carboxamide
CID 118711179
N-[4-(4-butanoyl-5-methylpyrazol-1-yl)phenyl]-1-[2-[4-[(4-fluorophenyl)methyl]piperazin-1-yl]-2-oxoethyl]-5-methylindole-3-carboxamide
CID 118711180
N-[5-[[4-[(4-ethylpiperazin-1-yl)methyl]-3-(trifluoromethyl)benzoyl]amino]-2-methylphenyl]pyrazolo[1,5-a]pyridine-3-carboxamide
CID 164615333
US10689345, Example 120
CID 155803043
Orn-0829 hydrate
CID 154572855
US9567339, Example O.1.18*
CID 86763013
US9796741, cmp No. 140
CID 118323600
US12473304, Example 95
CID 156828907
US12473304, Example 346
CID 156829379
US12473304, Example 378
CID 156829511
US12473304, Example 331
CID 156829671

Frequently Asked Questions

What is the IUPAC name of 5,7-difluoro-2-[[2-fluoro-4-(1-methylpyrazol-4-yl)phenyl]methyl]-3H-isoindol-1-one;2-[[4-(1,3-dimethylpyrazol-4-yl)-2-fluorophenyl]methyl]-3H-isoindol-1-one;6-[[2-fluoro-4-(2-methylidene-1,3-dihydroindol-5-yl)phenyl]methyl]-7H-pyrrolo[3,4-b]pyridin-5-one;2-[[2-fluoro-4-(1-methylpyrazol-4-yl)phenyl]methyl]-3H-isoindol-1-one;2-[[2-fluoro-4-(1-methylpyrazol-4-yl)phenyl]methyl]-1H-pyrrolo[3,4-c]pyridin-3-one?
The IUPAC name of 5,7-difluoro-2-[[2-fluoro-4-(1-methylpyrazol-4-yl)phenyl]methyl]-3H-isoindol-1-one;2-[[4-(1,3-dimethylpyrazol-4-yl)-2-fluorophenyl]methyl]-3H-isoindol-1-one;6-[[2-fluoro-4-(2-methylidene-1,3-dihydroindol-5-yl)phenyl]methyl]-7H-pyrrolo[3,4-b]pyridin-5-one;2-[[2-fluoro-4-(1-methylpyrazol-4-yl)phenyl]methyl]-3H-isoindol-1-one;2-[[2-fluoro-4-(1-methylpyrazol-4-yl)phenyl]methyl]-1H-pyrrolo[3,4-c]pyridin-3-one (CID 160690592) is 5,7-difluoro-2-[[2-fluoro-4-(1-methylpyrazol-4-yl)phenyl]methyl]-3H-isoindol-1-one;2-[[4-(1,3-dimethylpyrazol-4-yl)-2-fluorophenyl]methyl]-3H-isoindol-1-one;6-[[2-fluoro-4-(2-methylidene-1,3-dihydroindol-5-yl)phenyl]methyl]-7H-pyrrolo[3,4-b]pyridin-5-one;2-[[2-fluoro-4-(1-methylpyrazol-4-yl)phenyl]methyl]-3H-isoindol-1-one;2-[[2-fluoro-4-(1-methylpyrazol-4-yl)phenyl]methyl]-1H-pyrrolo[3,4-c]pyridin-3-one.
What is the SMILES notation for 5,7-difluoro-2-[[2-fluoro-4-(1-methylpyrazol-4-yl)phenyl]methyl]-3H-isoindol-1-one;2-[[4-(1,3-dimethylpyrazol-4-yl)-2-fluorophenyl]methyl]-3H-isoindol-1-one;6-[[2-fluoro-4-(2-methylidene-1,3-dihydroindol-5-yl)phenyl]methyl]-7H-pyrrolo[3,4-b]pyridin-5-one;2-[[2-fluoro-4-(1-methylpyrazol-4-yl)phenyl]methyl]-3H-isoindol-1-one;2-[[2-fluoro-4-(1-methylpyrazol-4-yl)phenyl]methyl]-1H-pyrrolo[3,4-c]pyridin-3-one?
The canonical SMILES for 5,7-difluoro-2-[[2-fluoro-4-(1-methylpyrazol-4-yl)phenyl]methyl]-3H-isoindol-1-one;2-[[4-(1,3-dimethylpyrazol-4-yl)-2-fluorophenyl]methyl]-3H-isoindol-1-one;6-[[2-fluoro-4-(2-methylidene-1,3-dihydroindol-5-yl)phenyl]methyl]-7H-pyrrolo[3,4-b]pyridin-5-one;2-[[2-fluoro-4-(1-methylpyrazol-4-yl)phenyl]methyl]-3H-isoindol-1-one;2-[[2-fluoro-4-(1-methylpyrazol-4-yl)phenyl]methyl]-1H-pyrrolo[3,4-c]pyridin-3-one is C=C1Cc2cc(-c3ccc(CN4Cc5ncccc5C4=O)c(F)c3)ccc2N1.Cc1nn(C)cc1-c1ccc(CN2Cc3ccccc3C2=O)c(F)c1.Cn1cc(-c2ccc(CN3Cc4cc(F)cc(F)c4C3=O)c(F)c2)cn1.Cn1cc(-c2ccc(CN3Cc4ccccc4C3=O)c(F)c2)cn1.Cn1cc(-c2ccc(CN3Cc4ccncc4C3=O)c(F)c2)cn1.
What is the InChIKey of 5,7-difluoro-2-[[2-fluoro-4-(1-methylpyrazol-4-yl)phenyl]methyl]-3H-isoindol-1-one;2-[[4-(1,3-dimethylpyrazol-4-yl)-2-fluorophenyl]methyl]-3H-isoindol-1-one;6-[[2-fluoro-4-(2-methylidene-1,3-dihydroindol-5-yl)phenyl]methyl]-7H-pyrrolo[3,4-b]pyridin-5-one;2-[[2-fluoro-4-(1-methylpyrazol-4-yl)phenyl]methyl]-3H-isoindol-1-one;2-[[2-fluoro-4-(1-methylpyrazol-4-yl)phenyl]methyl]-1H-pyrrolo[3,4-c]pyridin-3-one?
The InChIKey is RPIVVHIKJBAHFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18FN3O.C20H18FN3O.C19H14F3N3O.C19H16FN3O.C18H15FN4O/c1-14-9-18-10-15(6-7-21(18)26-14)16-4-5-17(20(24)11-16)12-27-13-22-19(23(27)28)3-2-8-25-22;1-13-18(12-23(2)22-13)14-7-8-16(19(21)9-14)11-24-10-15-5-3-4-6-17(15)20(24)25;1-24-8-14(7-23-24)11-2-3-12(16(21)5-11)9-25-10-13-4-15(20)6-17(22)18(13)19(25)26;1-22-10-16(9-21-22)13-6-7-15(18(20)8-13)12-23-11-14-4-2-3-5-17(14)19(23)24;1-22-9-15(7-21-22)12-2-3-14(17(19)6-12)11-23-10-13-4-5-20-8-16(13)18(23)24/h2-8,10-11,26H,1,9,12-13H2;3-9,12H,10-11H2,1-2H3;2-8H,9-10H2,1H3;2-10H,11-12H2,1H3;2-9H,10-11H2,1H3.
What are the key properties of 5,7-difluoro-2-[[2-fluoro-4-(1-methylpyrazol-4-yl)phenyl]methyl]-3H-isoindol-1-one;2-[[4-(1,3-dimethylpyrazol-4-yl)-2-fluorophenyl]methyl]-3H-isoindol-1-one;6-[[2-fluoro-4-(2-methylidene-1,3-dihydroindol-5-yl)phenyl]methyl]-7H-pyrrolo[3,4-b]pyridin-5-one;2-[[2-fluoro-4-(1-methylpyrazol-4-yl)phenyl]methyl]-3H-isoindol-1-one;2-[[2-fluoro-4-(1-methylpyrazol-4-yl)phenyl]methyl]-1H-pyrrolo[3,4-c]pyridin-3-one?
5,7-difluoro-2-[[2-fluoro-4-(1-methylpyrazol-4-yl)phenyl]methyl]-3H-isoindol-1-one;2-[[4-(1,3-dimethylpyrazol-4-yl)-2-fluorophenyl]methyl]-3H-isoindol-1-one;6-[[2-fluoro-4-(2-methylidene-1,3-dihydroindol-5-yl)phenyl]methyl]-7H-pyrrolo[3,4-b]pyridin-5-one;2-[[2-fluoro-4-(1-methylpyrazol-4-yl)phenyl]methyl]-3H-isoindol-1-one;2-[[2-fluoro-4-(1-methylpyrazol-4-yl)phenyl]methyl]-1H-pyrrolo[3,4-c]pyridin-3-one has a molecular weight of 1707.83 g/mol, XLogP of 18.04, 15 rotatable bonds, 1 hydrogen bond donors, and 16 hydrogen bond acceptors.
Where does this data come from?
All data for 5,7-difluoro-2-[[2-fluoro-4-(1-methylpyrazol-4-yl)phenyl]methyl]-3H-isoindol-1-one;2-[[4-(1,3-dimethylpyrazol-4-yl)-2-fluorophenyl]methyl]-3H-isoindol-1-one;6-[[2-fluoro-4-(2-methylidene-1,3-dihydroindol-5-yl)phenyl]methyl]-7H-pyrrolo[3,4-b]pyridin-5-one;2-[[2-fluoro-4-(1-methylpyrazol-4-yl)phenyl]methyl]-3H-isoindol-1-one;2-[[2-fluoro-4-(1-methylpyrazol-4-yl)phenyl]methyl]-1H-pyrrolo[3,4-c]pyridin-3-one is sourced from PubChem (CID 160690592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).