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

C91H74F7N19O5 — CID 159554024

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

2-[[2-fluoro-4-(2-methylpyrazol-3-yl)phenyl]methyl]-3H-isoindol-1-one;6-[[3-fluoro-5-(1-methylpyrazol-4-yl)-2-pyridinyl]methyl]-5H-pyrrolo[3,4-b]pyridin-7-one;6-[[3-fluoro-5-(1-methylpyrazol-4-yl)-2-pyridinyl]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-[[6-(1-methylpyrazol-4-yl)-3-pyridinyl]methyl]-3H-isoindol-1-one (PubChem CID 159554024) has the molecular formula C91H74F7N19O5 and a molecular weight of 1646.71 g/mol. Its IUPAC name is 2-[[2-fluoro-4-(2-methylpyrazol-3-yl)phenyl]methyl]-3H-isoindol-1-one;6-[[3-fluoro-5-(1-methylpyrazol-4-yl)-2-pyridinyl]methyl]-5H-pyrrolo[3,4-b]pyridin-7-one;6-[[3-fluoro-5-(1-methylpyrazol-4-yl)-2-pyridinyl]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-[[6-(1-methylpyrazol-4-yl)-3-pyridinyl]methyl]-3H-isoindol-1-one.

Molecular Properties

• Compound Name: 2-[[2-fluoro-4-(2-methylpyrazol-3-yl)phenyl]methyl]-3H-isoindol-1-one;6-[[3-fluoro-5-(1-methylpyrazol-4-yl)-2-pyridinyl]methyl]-5H-pyrrolo[3,4-b]pyridin-7-one;6-[[3-fluoro-5-(1-methylpyrazol-4-yl)-2-pyridinyl]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-[[6-(1-methylpyrazol-4-yl)-3-pyridinyl]methyl]-3H-isoindol-1-one
• PubChem CID: 159554024
• Molecular Formula: C91H74F7N19O5
• Molecular Weight: 1646.71 g/mol
• Exact Mass: 1645.60
• IUPAC Name: 2-[[2-fluoro-4-(2-methylpyrazol-3-yl)phenyl]methyl]-3H-isoindol-1-one;6-[[3-fluoro-5-(1-methylpyrazol-4-yl)-2-pyridinyl]methyl]-5H-pyrrolo[3,4-b]pyridin-7-one;6-[[3-fluoro-5-(1-methylpyrazol-4-yl)-2-pyridinyl]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-[[6-(1-methylpyrazol-4-yl)-3-pyridinyl]methyl]-3H-isoindol-1-one
• SMILES: Cn1cc(-c2ccc(CN3Cc4ccccc4C3=O)cn2)cn1.Cn1cc(-c2cnc(CN3Cc4cccnc4C3=O)c(F)c2)cn1.Cn1cc(-c2cnc(CN3Cc4ncccc4C3=O)c(F)c2)cn1.Cn1nccc1-c1ccc(CN2Cc3ccccc3C2=O)c(F)c1.O=C1c2ccccc2CN1Cc1ccc(C2=CCN=C2C(F)(F)F)cc1F
• InChI: InChI=1S/C20H14F4N2O.C19H16FN3O.C18H16N4O.2C17H14FN5O/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;1-22-18(8-9-21-22)13-6-7-15(17(20)10-13)12-23-11-14-4-2-3-5-16(14)19(23)24;1-21-11-15(9-20-21)17-7-6-13(8-19-17)10-22-12-14-4-2-3-5-16(14)18(22)23;1-22-8-12(7-21-22)11-5-14(18)16(20-6-11)10-23-9-15-13(17(23)24)3-2-4-19-15;1-22-8-13(7-21-22)12-5-14(18)15(20-6-12)10-23-9-11-3-2-4-19-16(11)17(23)24/h1-7,9H,8,10-11H2;2-10H,11-12H2,1H3;2-9,11H,10,12H2,1H3;2*2-8H,9-10H2,1H3
• InChIKey: MFTMNASBJRCZKV-UHFFFAOYSA-N
• XLogP: 14.75
• TPSA: 249.64 Ų
• H-Bond Acceptors: 19
• Rotatable Bonds: 15
• Heavy Atoms: 122
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1646.71
LogP ≤ 5	14.75
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	19

Frequently Asked Questions

What is the IUPAC name of 2-[[2-fluoro-4-(2-methylpyrazol-3-yl)phenyl]methyl]-3H-isoindol-1-one;6-[[3-fluoro-5-(1-methylpyrazol-4-yl)-2-pyridinyl]methyl]-5H-pyrrolo[3,4-b]pyridin-7-one;6-[[3-fluoro-5-(1-methylpyrazol-4-yl)-2-pyridinyl]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-[[6-(1-methylpyrazol-4-yl)-3-pyridinyl]methyl]-3H-isoindol-1-one?

The IUPAC name of 2-[[2-fluoro-4-(2-methylpyrazol-3-yl)phenyl]methyl]-3H-isoindol-1-one;6-[[3-fluoro-5-(1-methylpyrazol-4-yl)-2-pyridinyl]methyl]-5H-pyrrolo[3,4-b]pyridin-7-one;6-[[3-fluoro-5-(1-methylpyrazol-4-yl)-2-pyridinyl]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-[[6-(1-methylpyrazol-4-yl)-3-pyridinyl]methyl]-3H-isoindol-1-one (CID 159554024) is 2-[[2-fluoro-4-(2-methylpyrazol-3-yl)phenyl]methyl]-3H-isoindol-1-one;6-[[3-fluoro-5-(1-methylpyrazol-4-yl)-2-pyridinyl]methyl]-5H-pyrrolo[3,4-b]pyridin-7-one;6-[[3-fluoro-5-(1-methylpyrazol-4-yl)-2-pyridinyl]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-[[6-(1-methylpyrazol-4-yl)-3-pyridinyl]methyl]-3H-isoindol-1-one.

What is the SMILES notation for 2-[[2-fluoro-4-(2-methylpyrazol-3-yl)phenyl]methyl]-3H-isoindol-1-one;6-[[3-fluoro-5-(1-methylpyrazol-4-yl)-2-pyridinyl]methyl]-5H-pyrrolo[3,4-b]pyridin-7-one;6-[[3-fluoro-5-(1-methylpyrazol-4-yl)-2-pyridinyl]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-[[6-(1-methylpyrazol-4-yl)-3-pyridinyl]methyl]-3H-isoindol-1-one?

The canonical SMILES for 2-[[2-fluoro-4-(2-methylpyrazol-3-yl)phenyl]methyl]-3H-isoindol-1-one;6-[[3-fluoro-5-(1-methylpyrazol-4-yl)-2-pyridinyl]methyl]-5H-pyrrolo[3,4-b]pyridin-7-one;6-[[3-fluoro-5-(1-methylpyrazol-4-yl)-2-pyridinyl]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-[[6-(1-methylpyrazol-4-yl)-3-pyridinyl]methyl]-3H-isoindol-1-one is Cn1cc(-c2ccc(CN3Cc4ccccc4C3=O)cn2)cn1.Cn1cc(-c2cnc(CN3Cc4cccnc4C3=O)c(F)c2)cn1.Cn1cc(-c2cnc(CN3Cc4ncccc4C3=O)c(F)c2)cn1.Cn1nccc1-c1ccc(CN2Cc3ccccc3C2=O)c(F)c1.O=C1c2ccccc2CN1Cc1ccc(C2=CCN=C2C(F)(F)F)cc1F.

What is the InChIKey of 2-[[2-fluoro-4-(2-methylpyrazol-3-yl)phenyl]methyl]-3H-isoindol-1-one;6-[[3-fluoro-5-(1-methylpyrazol-4-yl)-2-pyridinyl]methyl]-5H-pyrrolo[3,4-b]pyridin-7-one;6-[[3-fluoro-5-(1-methylpyrazol-4-yl)-2-pyridinyl]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-[[6-(1-methylpyrazol-4-yl)-3-pyridinyl]methyl]-3H-isoindol-1-one?

The InChIKey is MFTMNASBJRCZKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14F4N2O.C19H16FN3O.C18H16N4O.2C17H14FN5O/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;1-22-18(8-9-21-22)13-6-7-15(17(20)10-13)12-23-11-14-4-2-3-5-16(14)19(23)24;1-21-11-15(9-20-21)17-7-6-13(8-19-17)10-22-12-14-4-2-3-5-16(14)18(22)23;1-22-8-12(7-21-22)11-5-14(18)16(20-6-11)10-23-9-15-13(17(23)24)3-2-4-19-15;1-22-8-13(7-21-22)12-5-14(18)15(20-6-12)10-23-9-11-3-2-4-19-16(11)17(23)24/h1-7,9H,8,10-11H2;2-10H,11-12H2,1H3;2-9,11H,10,12H2,1H3;2*2-8H,9-10H2,1H3.

What are the key properties of 2-[[2-fluoro-4-(2-methylpyrazol-3-yl)phenyl]methyl]-3H-isoindol-1-one;6-[[3-fluoro-5-(1-methylpyrazol-4-yl)-2-pyridinyl]methyl]-5H-pyrrolo[3,4-b]pyridin-7-one;6-[[3-fluoro-5-(1-methylpyrazol-4-yl)-2-pyridinyl]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-[[6-(1-methylpyrazol-4-yl)-3-pyridinyl]methyl]-3H-isoindol-1-one?

2-[[2-fluoro-4-(2-methylpyrazol-3-yl)phenyl]methyl]-3H-isoindol-1-one;6-[[3-fluoro-5-(1-methylpyrazol-4-yl)-2-pyridinyl]methyl]-5H-pyrrolo[3,4-b]pyridin-7-one;6-[[3-fluoro-5-(1-methylpyrazol-4-yl)-2-pyridinyl]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-[[6-(1-methylpyrazol-4-yl)-3-pyridinyl]methyl]-3H-isoindol-1-one has a molecular weight of 1646.71 g/mol, XLogP of 14.75, 15 rotatable bonds, 0 hydrogen bond donors, and 19 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[[2-fluoro-4-(2-methylpyrazol-3-yl)phenyl]methyl]-3H-isoindol-1-one;6-[[3-fluoro-5-(1-methylpyrazol-4-yl)-2-pyridinyl]methyl]-5H-pyrrolo[3,4-b]pyridin-7-one;6-[[3-fluoro-5-(1-methylpyrazol-4-yl)-2-pyridinyl]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-[[6-(1-methylpyrazol-4-yl)-3-pyridinyl]methyl]-3H-isoindol-1-one is sourced from PubChem (CID 159554024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).