6-[(2,6-difluoro-4-imidazo[1,2-a]pyridin-6-ylphenyl)methyl]-7H-pyrrolo[3,4-b]pyridin-5-one;6-[[2,6-difluoro-4-(2-methylindazol-4-yl)phenyl]methyl]-7H-pyrrolo[3,4-b]pyridin-5-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

C₉₈H₇₄F₉N₁₉O₅ — CID 159110891

About 6-[(2,6-difluoro-4-imidazo[1,2-a]pyridin-6-ylphenyl)methyl]-7H-pyrrolo[3,4-b]pyridin-5-one;6-[[2,6-difluoro-4-(2-methylindazol-4-yl)phenyl]methyl]-7H-pyrrolo[3,4-b]pyridin-5-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

6-[(2,6-difluoro-4-imidazo[1,2-a]pyridin-6-ylphenyl)methyl]-7H-pyrrolo[3,4-b]pyridin-5-one;6-[[2,6-difluoro-4-(2-methylindazol-4-yl)phenyl]methyl]-7H-pyrrolo[3,4-b]pyridin-5-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 159110891) has the molecular formula C₉₈H₇₄F₉N₁₉O₅ and a molecular weight of 1768.78 g/mol. Its IUPAC name is 6-[(2,6-difluoro-4-imidazo[1,2-a]pyridin-6-ylphenyl)methyl]-7H-pyrrolo[3,4-b]pyridin-5-one;6-[[2,6-difluoro-4-(2-methylindazol-4-yl)phenyl]methyl]-7H-pyrrolo[3,4-b]pyridin-5-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: 6-[(2,6-difluoro-4-imidazo[1,2-a]pyridin-6-ylphenyl)methyl]-7H-pyrrolo[3,4-b]pyridin-5-one;6-[[2,6-difluoro-4-(2-methylindazol-4-yl)phenyl]methyl]-7H-pyrrolo[3,4-b]pyridin-5-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: 159110891
• Molecular Formula: C₉₈H₇₄F₉N₁₉O₅
• Molecular Weight: 1768.78 g/mol
• Exact Mass: 1767.60
• IUPAC Name: 6-[(2,6-difluoro-4-imidazo[1,2-a]pyridin-6-ylphenyl)methyl]-7H-pyrrolo[3,4-b]pyridin-5-one;6-[[2,6-difluoro-4-(2-methylindazol-4-yl)phenyl]methyl]-7H-pyrrolo[3,4-b]pyridin-5-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(CN3Cc4ncccc4C3=O)c(F)c2)cn1.Cn1cc2c(-c3cc(F)c(CN4Cc5ncccc5C4=O)c(F)c3)cccc2n1.O=C1c2ccccc2CN1Cc1ccc(C2=CCN=C2C(F)(F)F)cc1F.O=C1c2cccnc2CN1Cc1c(F)cc(-c2ccc3nccn3c2)cc1F
• InChI: InChI=1S/C22H16F2N4O.C21H14F2N4O.C20H14F4N2O.C18H16N4O.C17H14FN5O/c1-27-10-16-14(4-2-6-20(16)26-27)13-8-18(23)17(19(24)9-13)11-28-12-21-15(22(28)29)5-3-7-25-21;22-17-8-14(13-3-4-20-25-6-7-26(20)10-13)9-18(23)16(17)11-27-12-19-15(21(27)28)2-1-5-24-19;21-17-9-12(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;1-21-11-15(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/h2-10H,11-12H2,1H3;1-10H,11-12H2;1-7,9H,8,10-11H2;2-9,11H,10,12H2,1H3;2-8H,9-10H2,1H3
• InChIKey: KELYUONMUTYQPH-UHFFFAOYSA-N
• XLogP: 17.09
• TPSA: 249.12 Ų
• H-Bond Acceptors: 19
• Rotatable Bonds: 15
• Heavy Atoms: 131
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1768.78
LogP ≤ 5	17.09
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	19

Frequently Asked Questions

What is the IUPAC name of 6-[(2,6-difluoro-4-imidazo[1,2-a]pyridin-6-ylphenyl)methyl]-7H-pyrrolo[3,4-b]pyridin-5-one;6-[[2,6-difluoro-4-(2-methylindazol-4-yl)phenyl]methyl]-7H-pyrrolo[3,4-b]pyridin-5-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 6-[(2,6-difluoro-4-imidazo[1,2-a]pyridin-6-ylphenyl)methyl]-7H-pyrrolo[3,4-b]pyridin-5-one;6-[[2,6-difluoro-4-(2-methylindazol-4-yl)phenyl]methyl]-7H-pyrrolo[3,4-b]pyridin-5-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 159110891) is 6-[(2,6-difluoro-4-imidazo[1,2-a]pyridin-6-ylphenyl)methyl]-7H-pyrrolo[3,4-b]pyridin-5-one;6-[[2,6-difluoro-4-(2-methylindazol-4-yl)phenyl]methyl]-7H-pyrrolo[3,4-b]pyridin-5-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 6-[(2,6-difluoro-4-imidazo[1,2-a]pyridin-6-ylphenyl)methyl]-7H-pyrrolo[3,4-b]pyridin-5-one;6-[[2,6-difluoro-4-(2-methylindazol-4-yl)phenyl]methyl]-7H-pyrrolo[3,4-b]pyridin-5-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 6-[(2,6-difluoro-4-imidazo[1,2-a]pyridin-6-ylphenyl)methyl]-7H-pyrrolo[3,4-b]pyridin-5-one;6-[[2,6-difluoro-4-(2-methylindazol-4-yl)phenyl]methyl]-7H-pyrrolo[3,4-b]pyridin-5-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(CN3Cc4ncccc4C3=O)c(F)c2)cn1.Cn1cc2c(-c3cc(F)c(CN4Cc5ncccc5C4=O)c(F)c3)cccc2n1.O=C1c2ccccc2CN1Cc1ccc(C2=CCN=C2C(F)(F)F)cc1F.O=C1c2cccnc2CN1Cc1c(F)cc(-c2ccc3nccn3c2)cc1F.

What is the InChIKey of 6-[(2,6-difluoro-4-imidazo[1,2-a]pyridin-6-ylphenyl)methyl]-7H-pyrrolo[3,4-b]pyridin-5-one;6-[[2,6-difluoro-4-(2-methylindazol-4-yl)phenyl]methyl]-7H-pyrrolo[3,4-b]pyridin-5-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 KELYUONMUTYQPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16F2N4O.C21H14F2N4O.C20H14F4N2O.C18H16N4O.C17H14FN5O/c1-27-10-16-14(4-2-6-20(16)26-27)13-8-18(23)17(19(24)9-13)11-28-12-21-15(22(28)29)5-3-7-25-21;22-17-8-14(13-3-4-20-25-6-7-26(20)10-13)9-18(23)16(17)11-27-12-19-15(21(27)28)2-1-5-24-19;21-17-9-12(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;1-21-11-15(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/h2-10H,11-12H2,1H3;1-10H,11-12H2;1-7,9H,8,10-11H2;2-9,11H,10,12H2,1H3;2-8H,9-10H2,1H3.

What are the key properties of 6-[(2,6-difluoro-4-imidazo[1,2-a]pyridin-6-ylphenyl)methyl]-7H-pyrrolo[3,4-b]pyridin-5-one;6-[[2,6-difluoro-4-(2-methylindazol-4-yl)phenyl]methyl]-7H-pyrrolo[3,4-b]pyridin-5-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?

6-[(2,6-difluoro-4-imidazo[1,2-a]pyridin-6-ylphenyl)methyl]-7H-pyrrolo[3,4-b]pyridin-5-one;6-[[2,6-difluoro-4-(2-methylindazol-4-yl)phenyl]methyl]-7H-pyrrolo[3,4-b]pyridin-5-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 1768.78 g/mol, XLogP of 17.09, 15 rotatable bonds, 0 hydrogen bond donors, and 19 hydrogen bond acceptors.

Where does this data come from?

All data for 6-[(2,6-difluoro-4-imidazo[1,2-a]pyridin-6-ylphenyl)methyl]-7H-pyrrolo[3,4-b]pyridin-5-one;6-[[2,6-difluoro-4-(2-methylindazol-4-yl)phenyl]methyl]-7H-pyrrolo[3,4-b]pyridin-5-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 159110891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 159110891 — identifiers, structure, computed properties (public domain)

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