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-[5-(trifluoromethyl)-2H-pyrrol-4-yl]phenyl]methyl]-3H-isoindol-1-one;2-[[5-(1-methylpyrazol-4-yl)-2-pyridinyl]methyl]-3H-isoindol-1-one

C78H64F6N12O4 — CID 159369507

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-[5-(trifluoromethyl)-2H-pyrrol-4-yl]phenyl]methyl]-3H-isoindol-1-one;2-[[5-(1-methylpyrazol-4-yl)-2-pyridinyl]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-[5-(trifluoromethyl)-2H-pyrrol-4-yl]phenyl]methyl]-3H-isoindol-1-one;2-[[5-(1-methylpyrazol-4-yl)-2-pyridinyl]methyl]-3H-isoindol-1-one (PubChem CID 159369507) has the molecular formula C78H64F6N12O4 and a molecular weight of 1347.44 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-[5-(trifluoromethyl)-2H-pyrrol-4-yl]phenyl]methyl]-3H-isoindol-1-one;2-[[5-(1-methylpyrazol-4-yl)-2-pyridinyl]methyl]-3H-isoindol-1-one.

Molecular Properties

• Compound Name: 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-[5-(trifluoromethyl)-2H-pyrrol-4-yl]phenyl]methyl]-3H-isoindol-1-one;2-[[5-(1-methylpyrazol-4-yl)-2-pyridinyl]methyl]-3H-isoindol-1-one
• PubChem CID: 159369507
• Molecular Formula: C78H64F6N12O4
• Molecular Weight: 1347.44 g/mol
• Exact Mass: 1346.51
• IUPAC Name: 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-[5-(trifluoromethyl)-2H-pyrrol-4-yl]phenyl]methyl]-3H-isoindol-1-one;2-[[5-(1-methylpyrazol-4-yl)-2-pyridinyl]methyl]-3H-isoindol-1-one
• SMILES: CC(c1ccc(-c2cnn(C)c2)cc1F)N1Cc2ccccc2C1=O.Cc1cc(-c2ccc(CN3Cc4ncccc4C3=O)c(F)c2)ccn1.Cn1cc(-c2ccc(CN3Cc4ccccc4C3=O)nc2)cn1.O=C1c2ccccc2CN1Cc1ccc(C2=CCN=C2C(F)(F)F)cc1F
• InChI: InChI=1S/C20H14F4N2O.C20H18FN3O.C20H16FN3O.C18H16N4O/c21-17-9-12(15-7-8-25-18(15)20(22,23)24)5-6-14(17)11-26-10-13-3-1-2-4-16(13)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;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/h1-7,9H,8,10-11H2;3-11,13H,12H2,1-2H3;2-10H,11-12H2,1H3;2-10H,11-12H2,1H3
• InChIKey: LJOJGOCSMYBXSK-UHFFFAOYSA-N
• XLogP: 14.71
• TPSA: 167.91 Ų
• H-Bond Acceptors: 12
• Rotatable Bonds: 12
• Heavy Atoms: 100
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1347.44
LogP ≤ 5	14.71
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	12

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-[5-(trifluoromethyl)-2H-pyrrol-4-yl]phenyl]methyl]-3H-isoindol-1-one;2-[[5-(1-methylpyrazol-4-yl)-2-pyridinyl]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-[5-(trifluoromethyl)-2H-pyrrol-4-yl]phenyl]methyl]-3H-isoindol-1-one;2-[[5-(1-methylpyrazol-4-yl)-2-pyridinyl]methyl]-3H-isoindol-1-one (CID 159369507) 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-[5-(trifluoromethyl)-2H-pyrrol-4-yl]phenyl]methyl]-3H-isoindol-1-one;2-[[5-(1-methylpyrazol-4-yl)-2-pyridinyl]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-[5-(trifluoromethyl)-2H-pyrrol-4-yl]phenyl]methyl]-3H-isoindol-1-one;2-[[5-(1-methylpyrazol-4-yl)-2-pyridinyl]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-[5-(trifluoromethyl)-2H-pyrrol-4-yl]phenyl]methyl]-3H-isoindol-1-one;2-[[5-(1-methylpyrazol-4-yl)-2-pyridinyl]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)nc2)cn1.O=C1c2ccccc2CN1Cc1ccc(C2=CCN=C2C(F)(F)F)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-[5-(trifluoromethyl)-2H-pyrrol-4-yl]phenyl]methyl]-3H-isoindol-1-one;2-[[5-(1-methylpyrazol-4-yl)-2-pyridinyl]methyl]-3H-isoindol-1-one?

The InChIKey is LJOJGOCSMYBXSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14F4N2O.C20H18FN3O.C20H16FN3O.C18H16N4O/c21-17-9-12(15-7-8-25-18(15)20(22,23)24)5-6-14(17)11-26-10-13-3-1-2-4-16(13)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;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/h1-7,9H,8,10-11H2;3-11,13H,12H2,1-2H3;2-10H,11-12H2,1H3;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-[5-(trifluoromethyl)-2H-pyrrol-4-yl]phenyl]methyl]-3H-isoindol-1-one;2-[[5-(1-methylpyrazol-4-yl)-2-pyridinyl]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-[5-(trifluoromethyl)-2H-pyrrol-4-yl]phenyl]methyl]-3H-isoindol-1-one;2-[[5-(1-methylpyrazol-4-yl)-2-pyridinyl]methyl]-3H-isoindol-1-one has a molecular weight of 1347.44 g/mol, XLogP of 14.71, 12 rotatable bonds, 0 hydrogen bond donors, and 12 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-[5-(trifluoromethyl)-2H-pyrrol-4-yl]phenyl]methyl]-3H-isoindol-1-one;2-[[5-(1-methylpyrazol-4-yl)-2-pyridinyl]methyl]-3H-isoindol-1-one is sourced from PubChem (CID 159369507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).