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

C98H81F6N15O5 — CID 157467989

IUPAC2-[1-[2-fluoro-4-(1-methylpyrazol-4-yl)phenyl]ethyl]-3H-isoindol-1-one;6-[[2-fluoro-4-(2-methyl-4-pyridinyl)phenyl]methyl]-7H-pyrrolo[3,4-b]pyridin-5-one;2-[(2-fluoro-4-pyridin-4-ylphenyl)methyl]-3H-isoindol-1-one;2-[[5-(1-methylpyrazol-4-yl)-2-pyridinyl]methyl]-3H-isoindol-1-one;2-[[4-(1-methylpyrazol-4-yl)-2-(trifluoromethyl)phenyl]methyl]-3H-isoindol-1-one
SMILESCC(c1ccc(-c2cnn(C)c2)cc1F)N1Cc2ccccc2C1=O.Cc1cc(-c2ccc(CN3Cc4ncccc4C3=O)c(F)c2)ccn1.Cn1cc(-c2ccc(CN3Cc4ccccc4C3=O)c(C(F)(F)F)c2)cn1.Cn1cc(-c2ccc(CN3Cc4ccccc4C3=O)nc2)cn1.O=C1c2ccccc2CN1Cc1ccc(-c2ccncc2)cc1F
InChIInChI=1S/C20H16F3N3O.C20H18FN3O.C20H16FN3O.C20H15FN2O.C18H16N4O/c1-25-10-16(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;1-13(24-12-15-5-3-4-6-18(15)20(24)25)17-8-7-14(9-19(17)21)16-10-22-23(2)11-16;1-13-9-15(6-8-22-13)14-4-5-16(18(21)10-14)11-24-12-19-17(20(24)25)3-2-7-23-19;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;1-21-10-15(9-20-21)13-6-7-16(19-8-13)12-22-11-14-4-2-3-5-17(14)18(22)23/h2-10H,11-12H2,1H3;3-11,13H,12H2,1-2H3;2-10H,11-12H2,1H3;1-11H,12-13H2;2-10H,11-12H2,1H3
InChIKeyBURVIENSOBDQND-UHFFFAOYSA-N
MW1662.81 g/mol
LogP18.63
Rot. Bonds15

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

2-[1-[2-fluoro-4-(1-methylpyrazol-4-yl)phenyl]ethyl]-3H-isoindol-1-one;6-[[2-fluoro-4-(2-methyl-4-pyridinyl)phenyl]methyl]-7H-pyrrolo[3,4-b]pyridin-5-one;2-[(2-fluoro-4-pyridin-4-ylphenyl)methyl]-3H-isoindol-1-one;2-[[5-(1-methylpyrazol-4-yl)-2-pyridinyl]methyl]-3H-isoindol-1-one;2-[[4-(1-methylpyrazol-4-yl)-2-(trifluoromethyl)phenyl]methyl]-3H-isoindol-1-one (PubChem CID 157467989) has the molecular formula C98H81F6N15O5 and a molecular weight of 1662.81 g/mol. Its IUPAC name is 2-[1-[2-fluoro-4-(1-methylpyrazol-4-yl)phenyl]ethyl]-3H-isoindol-1-one;6-[[2-fluoro-4-(2-methyl-4-pyridinyl)phenyl]methyl]-7H-pyrrolo[3,4-b]pyridin-5-one;2-[(2-fluoro-4-pyridin-4-ylphenyl)methyl]-3H-isoindol-1-one;2-[[5-(1-methylpyrazol-4-yl)-2-pyridinyl]methyl]-3H-isoindol-1-one;2-[[4-(1-methylpyrazol-4-yl)-2-(trifluoromethyl)phenyl]methyl]-3H-isoindol-1-one.

Molecular Properties

Compound Name2-[1-[2-fluoro-4-(1-methylpyrazol-4-yl)phenyl]ethyl]-3H-isoindol-1-one;6-[[2-fluoro-4-(2-methyl-4-pyridinyl)phenyl]methyl]-7H-pyrrolo[3,4-b]pyridin-5-one;2-[(2-fluoro-4-pyridin-4-ylphenyl)methyl]-3H-isoindol-1-one;2-[[5-(1-methylpyrazol-4-yl)-2-pyridinyl]methyl]-3H-isoindol-1-one;2-[[4-(1-methylpyrazol-4-yl)-2-(trifluoromethyl)phenyl]methyl]-3H-isoindol-1-one
PubChem CID157467989
Molecular FormulaC98H81F6N15O5
Molecular Weight1662.81 g/mol
Exact Mass1661.64
IUPAC Name2-[1-[2-fluoro-4-(1-methylpyrazol-4-yl)phenyl]ethyl]-3H-isoindol-1-one;6-[[2-fluoro-4-(2-methyl-4-pyridinyl)phenyl]methyl]-7H-pyrrolo[3,4-b]pyridin-5-one;2-[(2-fluoro-4-pyridin-4-ylphenyl)methyl]-3H-isoindol-1-one;2-[[5-(1-methylpyrazol-4-yl)-2-pyridinyl]methyl]-3H-isoindol-1-one;2-[[4-(1-methylpyrazol-4-yl)-2-(trifluoromethyl)phenyl]methyl]-3H-isoindol-1-one
SMILESCC(c1ccc(-c2cnn(C)c2)cc1F)N1Cc2ccccc2C1=O.Cc1cc(-c2ccc(CN3Cc4ncccc4C3=O)c(F)c2)ccn1.Cn1cc(-c2ccc(CN3Cc4ccccc4C3=O)c(C(F)(F)F)c2)cn1.Cn1cc(-c2ccc(CN3Cc4ccccc4C3=O)nc2)cn1.O=C1c2ccccc2CN1Cc1ccc(-c2ccncc2)cc1F
InChIInChI=1S/C20H16F3N3O.C20H18FN3O.C20H16FN3O.C20H15FN2O.C18H16N4O/c1-25-10-16(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;1-13(24-12-15-5-3-4-6-18(15)20(24)25)17-8-7-14(9-19(17)21)16-10-22-23(2)11-16;1-13-9-15(6-8-22-13)14-4-5-16(18(21)10-14)11-24-12-19-17(20(24)25)3-2-7-23-19;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;1-21-10-15(9-20-21)13-6-7-16(19-8-13)12-22-11-14-4-2-3-5-17(14)18(22)23/h2-10H,11-12H2,1H3;3-11,13H,12H2,1-2H3;2-10H,11-12H2,1H3;1-11H,12-13H2;2-10H,11-12H2,1H3
InChIKeyBURVIENSOBDQND-UHFFFAOYSA-N
XLogP18.63
TPSA206.57 Ų
H-Bond Donors
H-Bond Acceptors15
Rotatable Bonds15
Heavy Atoms124
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001662.81
LogP ≤ 518.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1015

Analyze 2-[1-[2-fluoro-4-(1-methylpyrazol-4-yl)phenyl]ethyl]-3H-isoindol-1-one;6-[[2-fluoro-4-(2-methyl-4-pyridinyl)phenyl]methyl]-7H-pyrrolo[3,4-b]pyridin-5-one;2-[(2-fluoro-4-pyridin-4-ylphenyl)methyl]-3H-isoindol-1-one;2-[[5-(1-methylpyrazol-4-yl)-2-pyridinyl]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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Frequently Asked Questions

What is the IUPAC name of 2-[1-[2-fluoro-4-(1-methylpyrazol-4-yl)phenyl]ethyl]-3H-isoindol-1-one;6-[[2-fluoro-4-(2-methyl-4-pyridinyl)phenyl]methyl]-7H-pyrrolo[3,4-b]pyridin-5-one;2-[(2-fluoro-4-pyridin-4-ylphenyl)methyl]-3H-isoindol-1-one;2-[[5-(1-methylpyrazol-4-yl)-2-pyridinyl]methyl]-3H-isoindol-1-one;2-[[4-(1-methylpyrazol-4-yl)-2-(trifluoromethyl)phenyl]methyl]-3H-isoindol-1-one?
The IUPAC name of 2-[1-[2-fluoro-4-(1-methylpyrazol-4-yl)phenyl]ethyl]-3H-isoindol-1-one;6-[[2-fluoro-4-(2-methyl-4-pyridinyl)phenyl]methyl]-7H-pyrrolo[3,4-b]pyridin-5-one;2-[(2-fluoro-4-pyridin-4-ylphenyl)methyl]-3H-isoindol-1-one;2-[[5-(1-methylpyrazol-4-yl)-2-pyridinyl]methyl]-3H-isoindol-1-one;2-[[4-(1-methylpyrazol-4-yl)-2-(trifluoromethyl)phenyl]methyl]-3H-isoindol-1-one (CID 157467989) is 2-[1-[2-fluoro-4-(1-methylpyrazol-4-yl)phenyl]ethyl]-3H-isoindol-1-one;6-[[2-fluoro-4-(2-methyl-4-pyridinyl)phenyl]methyl]-7H-pyrrolo[3,4-b]pyridin-5-one;2-[(2-fluoro-4-pyridin-4-ylphenyl)methyl]-3H-isoindol-1-one;2-[[5-(1-methylpyrazol-4-yl)-2-pyridinyl]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-[1-[2-fluoro-4-(1-methylpyrazol-4-yl)phenyl]ethyl]-3H-isoindol-1-one;6-[[2-fluoro-4-(2-methyl-4-pyridinyl)phenyl]methyl]-7H-pyrrolo[3,4-b]pyridin-5-one;2-[(2-fluoro-4-pyridin-4-ylphenyl)methyl]-3H-isoindol-1-one;2-[[5-(1-methylpyrazol-4-yl)-2-pyridinyl]methyl]-3H-isoindol-1-one;2-[[4-(1-methylpyrazol-4-yl)-2-(trifluoromethyl)phenyl]methyl]-3H-isoindol-1-one?
The canonical SMILES for 2-[1-[2-fluoro-4-(1-methylpyrazol-4-yl)phenyl]ethyl]-3H-isoindol-1-one;6-[[2-fluoro-4-(2-methyl-4-pyridinyl)phenyl]methyl]-7H-pyrrolo[3,4-b]pyridin-5-one;2-[(2-fluoro-4-pyridin-4-ylphenyl)methyl]-3H-isoindol-1-one;2-[[5-(1-methylpyrazol-4-yl)-2-pyridinyl]methyl]-3H-isoindol-1-one;2-[[4-(1-methylpyrazol-4-yl)-2-(trifluoromethyl)phenyl]methyl]-3H-isoindol-1-one is CC(c1ccc(-c2cnn(C)c2)cc1F)N1Cc2ccccc2C1=O.Cc1cc(-c2ccc(CN3Cc4ncccc4C3=O)c(F)c2)ccn1.Cn1cc(-c2ccc(CN3Cc4ccccc4C3=O)c(C(F)(F)F)c2)cn1.Cn1cc(-c2ccc(CN3Cc4ccccc4C3=O)nc2)cn1.O=C1c2ccccc2CN1Cc1ccc(-c2ccncc2)cc1F.
What is the InChIKey of 2-[1-[2-fluoro-4-(1-methylpyrazol-4-yl)phenyl]ethyl]-3H-isoindol-1-one;6-[[2-fluoro-4-(2-methyl-4-pyridinyl)phenyl]methyl]-7H-pyrrolo[3,4-b]pyridin-5-one;2-[(2-fluoro-4-pyridin-4-ylphenyl)methyl]-3H-isoindol-1-one;2-[[5-(1-methylpyrazol-4-yl)-2-pyridinyl]methyl]-3H-isoindol-1-one;2-[[4-(1-methylpyrazol-4-yl)-2-(trifluoromethyl)phenyl]methyl]-3H-isoindol-1-one?
The InChIKey is BURVIENSOBDQND-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16F3N3O.C20H18FN3O.C20H16FN3O.C20H15FN2O.C18H16N4O/c1-25-10-16(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;1-13(24-12-15-5-3-4-6-18(15)20(24)25)17-8-7-14(9-19(17)21)16-10-22-23(2)11-16;1-13-9-15(6-8-22-13)14-4-5-16(18(21)10-14)11-24-12-19-17(20(24)25)3-2-7-23-19;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;1-21-10-15(9-20-21)13-6-7-16(19-8-13)12-22-11-14-4-2-3-5-17(14)18(22)23/h2-10H,11-12H2,1H3;3-11,13H,12H2,1-2H3;2-10H,11-12H2,1H3;1-11H,12-13H2;2-10H,11-12H2,1H3.
What are the key properties of 2-[1-[2-fluoro-4-(1-methylpyrazol-4-yl)phenyl]ethyl]-3H-isoindol-1-one;6-[[2-fluoro-4-(2-methyl-4-pyridinyl)phenyl]methyl]-7H-pyrrolo[3,4-b]pyridin-5-one;2-[(2-fluoro-4-pyridin-4-ylphenyl)methyl]-3H-isoindol-1-one;2-[[5-(1-methylpyrazol-4-yl)-2-pyridinyl]methyl]-3H-isoindol-1-one;2-[[4-(1-methylpyrazol-4-yl)-2-(trifluoromethyl)phenyl]methyl]-3H-isoindol-1-one?
2-[1-[2-fluoro-4-(1-methylpyrazol-4-yl)phenyl]ethyl]-3H-isoindol-1-one;6-[[2-fluoro-4-(2-methyl-4-pyridinyl)phenyl]methyl]-7H-pyrrolo[3,4-b]pyridin-5-one;2-[(2-fluoro-4-pyridin-4-ylphenyl)methyl]-3H-isoindol-1-one;2-[[5-(1-methylpyrazol-4-yl)-2-pyridinyl]methyl]-3H-isoindol-1-one;2-[[4-(1-methylpyrazol-4-yl)-2-(trifluoromethyl)phenyl]methyl]-3H-isoindol-1-one has a molecular weight of 1662.81 g/mol, XLogP of 18.63, 15 rotatable bonds, 0 hydrogen bond donors, and 15 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[2-fluoro-4-(1-methylpyrazol-4-yl)phenyl]ethyl]-3H-isoindol-1-one;6-[[2-fluoro-4-(2-methyl-4-pyridinyl)phenyl]methyl]-7H-pyrrolo[3,4-b]pyridin-5-one;2-[(2-fluoro-4-pyridin-4-ylphenyl)methyl]-3H-isoindol-1-one;2-[[5-(1-methylpyrazol-4-yl)-2-pyridinyl]methyl]-3H-isoindol-1-one;2-[[4-(1-methylpyrazol-4-yl)-2-(trifluoromethyl)phenyl]methyl]-3H-isoindol-1-one is sourced from PubChem (CID 157467989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).