2-(2,6-difluorophenyl)-4-pyrazol-1-yl-6,7-dihydropyrrolo[3,4-b]pyridin-5-one;2-[4-[3-(4,4-dimethyl-5H-1,3-oxazol-2-yl)pyrazol-1-yl]-5-oxo-6,7-dihydropyrrolo[3,4-b]pyridin-2-yl]-3-fluorobenzonitrile;3-fluoro-2-[4-[3-(4-morpholin-4-ylpiperidin-1-yl)pyrazol-1-yl]-5-oxo-6,7-dihydropyrrolo[3,4-b]pyridin-2-yl]benzonitrile;3-fluoro-2-[5-oxo-4-(1-propan-2-ylpyrazol-4-yl)-6,7-dihydropyrrolo[3,4-b]pyridin-2-yl]benzonitrile

C84H69F5N22O6 — CID 159009894

About 2-(2,6-difluorophenyl)-4-pyrazol-1-yl-6,7-dihydropyrrolo[3,4-b]pyridin-5-one;2-[4-[3-(4,4-dimethyl-5H-1,3-oxazol-2-yl)pyrazol-1-yl]-5-oxo-6,7-dihydropyrrolo[3,4-b]pyridin-2-yl]-3-fluorobenzonitrile;3-fluoro-2-[4-[3-(4-morpholin-4-ylpiperidin-1-yl)pyrazol-1-yl]-5-oxo-6,7-dihydropyrrolo[3,4-b]pyridin-2-yl]benzonitrile;3-fluoro-2-[5-oxo-4-(1-propan-2-ylpyrazol-4-yl)-6,7-dihydropyrrolo[3,4-b]pyridin-2-yl]benzonitrile

2-(2,6-difluorophenyl)-4-pyrazol-1-yl-6,7-dihydropyrrolo[3,4-b]pyridin-5-one;2-[4-[3-(4,4-dimethyl-5H-1,3-oxazol-2-yl)pyrazol-1-yl]-5-oxo-6,7-dihydropyrrolo[3,4-b]pyridin-2-yl]-3-fluorobenzonitrile;3-fluoro-2-[4-[3-(4-morpholin-4-ylpiperidin-1-yl)pyrazol-1-yl]-5-oxo-6,7-dihydropyrrolo[3,4-b]pyridin-2-yl]benzonitrile;3-fluoro-2-[5-oxo-4-(1-propan-2-ylpyrazol-4-yl)-6,7-dihydropyrrolo[3,4-b]pyridin-2-yl]benzonitrile (PubChem CID 159009894) has the molecular formula C84H69F5N22O6 and a molecular weight of 1577.61 g/mol. Its IUPAC name is 2-(2,6-difluorophenyl)-4-pyrazol-1-yl-6,7-dihydropyrrolo[3,4-b]pyridin-5-one;2-[4-[3-(4,4-dimethyl-5H-1,3-oxazol-2-yl)pyrazol-1-yl]-5-oxo-6,7-dihydropyrrolo[3,4-b]pyridin-2-yl]-3-fluorobenzonitrile;3-fluoro-2-[4-[3-(4-morpholin-4-ylpiperidin-1-yl)pyrazol-1-yl]-5-oxo-6,7-dihydropyrrolo[3,4-b]pyridin-2-yl]benzonitrile;3-fluoro-2-[5-oxo-4-(1-propan-2-ylpyrazol-4-yl)-6,7-dihydropyrrolo[3,4-b]pyridin-2-yl]benzonitrile.

Molecular Properties

• Compound Name: 2-(2,6-difluorophenyl)-4-pyrazol-1-yl-6,7-dihydropyrrolo[3,4-b]pyridin-5-one;2-[4-[3-(4,4-dimethyl-5H-1,3-oxazol-2-yl)pyrazol-1-yl]-5-oxo-6,7-dihydropyrrolo[3,4-b]pyridin-2-yl]-3-fluorobenzonitrile;3-fluoro-2-[4-[3-(4-morpholin-4-ylpiperidin-1-yl)pyrazol-1-yl]-5-oxo-6,7-dihydropyrrolo[3,4-b]pyridin-2-yl]benzonitrile;3-fluoro-2-[5-oxo-4-(1-propan-2-ylpyrazol-4-yl)-6,7-dihydropyrrolo[3,4-b]pyridin-2-yl]benzonitrile
• PubChem CID: 159009894
• Molecular Formula: C84H69F5N22O6
• Molecular Weight: 1577.61 g/mol
• Exact Mass: 1576.57
• IUPAC Name: 2-(2,6-difluorophenyl)-4-pyrazol-1-yl-6,7-dihydropyrrolo[3,4-b]pyridin-5-one;2-[4-[3-(4,4-dimethyl-5H-1,3-oxazol-2-yl)pyrazol-1-yl]-5-oxo-6,7-dihydropyrrolo[3,4-b]pyridin-2-yl]-3-fluorobenzonitrile;3-fluoro-2-[4-[3-(4-morpholin-4-ylpiperidin-1-yl)pyrazol-1-yl]-5-oxo-6,7-dihydropyrrolo[3,4-b]pyridin-2-yl]benzonitrile;3-fluoro-2-[5-oxo-4-(1-propan-2-ylpyrazol-4-yl)-6,7-dihydropyrrolo[3,4-b]pyridin-2-yl]benzonitrile
• SMILES: CC(C)n1cc(-c2cc(-c3c(F)cccc3C#N)nc3c2C(=O)NC3)cn1.CC1(C)COC(c2ccn(-c3cc(-c4c(F)cccc4C#N)nc4c3C(=O)NC4)n2)=N1.N#Cc1cccc(F)c1-c1cc(-n2ccc(N3CCC(N4CCOCC4)CC3)n2)c2c(n1)CNC2=O.O=C1NCc2nc(-c3c(F)cccc3F)cc(-n3cccn3)c21
• InChI: InChI=1S/C26H26FN7O2.C22H17FN6O2.C20H16FN5O.C16H10F2N4O/c27-19-3-1-2-17(15-28)24(19)20-14-22(25-21(30-20)16-29-26(25)35)34-9-6-23(31-34)33-7-4-18(5-8-33)32-10-12-36-13-11-32;1-22(2)11-31-21(27-22)14-6-7-29(28-14)17-8-15(26-16-10-25-20(30)19(16)17)18-12(9-24)4-3-5-13(18)23;1-11(2)26-10-13(8-24-26)14-6-16(25-17-9-23-20(27)19(14)17)18-12(7-22)4-3-5-15(18)21;17-9-3-1-4-10(18)14(9)11-7-13(22-6-2-5-20-22)15-12(21-11)8-19-16(15)23/h1-3,6,9,14,18H,4-5,7-8,10-13,16H2,(H,29,35);3-8H,10-11H2,1-2H3,(H,25,30);3-6,8,10-11H,9H2,1-2H3,(H,23,27);1-7H,8H2,(H,19,23)
• InChIKey: JSIUKMQRZCSHKR-UHFFFAOYSA-N
• XLogP: 11.14
• TPSA: 347.91 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 24
• Rotatable Bonds: 12
• Heavy Atoms: 117
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1577.61
LogP ≤ 5	11.14
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	24

Frequently Asked Questions

What is the IUPAC name of 2-(2,6-difluorophenyl)-4-pyrazol-1-yl-6,7-dihydropyrrolo[3,4-b]pyridin-5-one;2-[4-[3-(4,4-dimethyl-5H-1,3-oxazol-2-yl)pyrazol-1-yl]-5-oxo-6,7-dihydropyrrolo[3,4-b]pyridin-2-yl]-3-fluorobenzonitrile;3-fluoro-2-[4-[3-(4-morpholin-4-ylpiperidin-1-yl)pyrazol-1-yl]-5-oxo-6,7-dihydropyrrolo[3,4-b]pyridin-2-yl]benzonitrile;3-fluoro-2-[5-oxo-4-(1-propan-2-ylpyrazol-4-yl)-6,7-dihydropyrrolo[3,4-b]pyridin-2-yl]benzonitrile?

The IUPAC name of 2-(2,6-difluorophenyl)-4-pyrazol-1-yl-6,7-dihydropyrrolo[3,4-b]pyridin-5-one;2-[4-[3-(4,4-dimethyl-5H-1,3-oxazol-2-yl)pyrazol-1-yl]-5-oxo-6,7-dihydropyrrolo[3,4-b]pyridin-2-yl]-3-fluorobenzonitrile;3-fluoro-2-[4-[3-(4-morpholin-4-ylpiperidin-1-yl)pyrazol-1-yl]-5-oxo-6,7-dihydropyrrolo[3,4-b]pyridin-2-yl]benzonitrile;3-fluoro-2-[5-oxo-4-(1-propan-2-ylpyrazol-4-yl)-6,7-dihydropyrrolo[3,4-b]pyridin-2-yl]benzonitrile (CID 159009894) is 2-(2,6-difluorophenyl)-4-pyrazol-1-yl-6,7-dihydropyrrolo[3,4-b]pyridin-5-one;2-[4-[3-(4,4-dimethyl-5H-1,3-oxazol-2-yl)pyrazol-1-yl]-5-oxo-6,7-dihydropyrrolo[3,4-b]pyridin-2-yl]-3-fluorobenzonitrile;3-fluoro-2-[4-[3-(4-morpholin-4-ylpiperidin-1-yl)pyrazol-1-yl]-5-oxo-6,7-dihydropyrrolo[3,4-b]pyridin-2-yl]benzonitrile;3-fluoro-2-[5-oxo-4-(1-propan-2-ylpyrazol-4-yl)-6,7-dihydropyrrolo[3,4-b]pyridin-2-yl]benzonitrile.

What is the SMILES notation for 2-(2,6-difluorophenyl)-4-pyrazol-1-yl-6,7-dihydropyrrolo[3,4-b]pyridin-5-one;2-[4-[3-(4,4-dimethyl-5H-1,3-oxazol-2-yl)pyrazol-1-yl]-5-oxo-6,7-dihydropyrrolo[3,4-b]pyridin-2-yl]-3-fluorobenzonitrile;3-fluoro-2-[4-[3-(4-morpholin-4-ylpiperidin-1-yl)pyrazol-1-yl]-5-oxo-6,7-dihydropyrrolo[3,4-b]pyridin-2-yl]benzonitrile;3-fluoro-2-[5-oxo-4-(1-propan-2-ylpyrazol-4-yl)-6,7-dihydropyrrolo[3,4-b]pyridin-2-yl]benzonitrile?

The canonical SMILES for 2-(2,6-difluorophenyl)-4-pyrazol-1-yl-6,7-dihydropyrrolo[3,4-b]pyridin-5-one;2-[4-[3-(4,4-dimethyl-5H-1,3-oxazol-2-yl)pyrazol-1-yl]-5-oxo-6,7-dihydropyrrolo[3,4-b]pyridin-2-yl]-3-fluorobenzonitrile;3-fluoro-2-[4-[3-(4-morpholin-4-ylpiperidin-1-yl)pyrazol-1-yl]-5-oxo-6,7-dihydropyrrolo[3,4-b]pyridin-2-yl]benzonitrile;3-fluoro-2-[5-oxo-4-(1-propan-2-ylpyrazol-4-yl)-6,7-dihydropyrrolo[3,4-b]pyridin-2-yl]benzonitrile is CC(C)n1cc(-c2cc(-c3c(F)cccc3C#N)nc3c2C(=O)NC3)cn1.CC1(C)COC(c2ccn(-c3cc(-c4c(F)cccc4C#N)nc4c3C(=O)NC4)n2)=N1.N#Cc1cccc(F)c1-c1cc(-n2ccc(N3CCC(N4CCOCC4)CC3)n2)c2c(n1)CNC2=O.O=C1NCc2nc(-c3c(F)cccc3F)cc(-n3cccn3)c21.

What is the InChIKey of 2-(2,6-difluorophenyl)-4-pyrazol-1-yl-6,7-dihydropyrrolo[3,4-b]pyridin-5-one;2-[4-[3-(4,4-dimethyl-5H-1,3-oxazol-2-yl)pyrazol-1-yl]-5-oxo-6,7-dihydropyrrolo[3,4-b]pyridin-2-yl]-3-fluorobenzonitrile;3-fluoro-2-[4-[3-(4-morpholin-4-ylpiperidin-1-yl)pyrazol-1-yl]-5-oxo-6,7-dihydropyrrolo[3,4-b]pyridin-2-yl]benzonitrile;3-fluoro-2-[5-oxo-4-(1-propan-2-ylpyrazol-4-yl)-6,7-dihydropyrrolo[3,4-b]pyridin-2-yl]benzonitrile?

The InChIKey is JSIUKMQRZCSHKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26FN7O2.C22H17FN6O2.C20H16FN5O.C16H10F2N4O/c27-19-3-1-2-17(15-28)24(19)20-14-22(25-21(30-20)16-29-26(25)35)34-9-6-23(31-34)33-7-4-18(5-8-33)32-10-12-36-13-11-32;1-22(2)11-31-21(27-22)14-6-7-29(28-14)17-8-15(26-16-10-25-20(30)19(16)17)18-12(9-24)4-3-5-13(18)23;1-11(2)26-10-13(8-24-26)14-6-16(25-17-9-23-20(27)19(14)17)18-12(7-22)4-3-5-15(18)21;17-9-3-1-4-10(18)14(9)11-7-13(22-6-2-5-20-22)15-12(21-11)8-19-16(15)23/h1-3,6,9,14,18H,4-5,7-8,10-13,16H2,(H,29,35);3-8H,10-11H2,1-2H3,(H,25,30);3-6,8,10-11H,9H2,1-2H3,(H,23,27);1-7H,8H2,(H,19,23).

What are the key properties of 2-(2,6-difluorophenyl)-4-pyrazol-1-yl-6,7-dihydropyrrolo[3,4-b]pyridin-5-one;2-[4-[3-(4,4-dimethyl-5H-1,3-oxazol-2-yl)pyrazol-1-yl]-5-oxo-6,7-dihydropyrrolo[3,4-b]pyridin-2-yl]-3-fluorobenzonitrile;3-fluoro-2-[4-[3-(4-morpholin-4-ylpiperidin-1-yl)pyrazol-1-yl]-5-oxo-6,7-dihydropyrrolo[3,4-b]pyridin-2-yl]benzonitrile;3-fluoro-2-[5-oxo-4-(1-propan-2-ylpyrazol-4-yl)-6,7-dihydropyrrolo[3,4-b]pyridin-2-yl]benzonitrile?

2-(2,6-difluorophenyl)-4-pyrazol-1-yl-6,7-dihydropyrrolo[3,4-b]pyridin-5-one;2-[4-[3-(4,4-dimethyl-5H-1,3-oxazol-2-yl)pyrazol-1-yl]-5-oxo-6,7-dihydropyrrolo[3,4-b]pyridin-2-yl]-3-fluorobenzonitrile;3-fluoro-2-[4-[3-(4-morpholin-4-ylpiperidin-1-yl)pyrazol-1-yl]-5-oxo-6,7-dihydropyrrolo[3,4-b]pyridin-2-yl]benzonitrile;3-fluoro-2-[5-oxo-4-(1-propan-2-ylpyrazol-4-yl)-6,7-dihydropyrrolo[3,4-b]pyridin-2-yl]benzonitrile has a molecular weight of 1577.61 g/mol, XLogP of 11.14, 12 rotatable bonds, 4 hydrogen bond donors, and 24 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(2,6-difluorophenyl)-4-pyrazol-1-yl-6,7-dihydropyrrolo[3,4-b]pyridin-5-one;2-[4-[3-(4,4-dimethyl-5H-1,3-oxazol-2-yl)pyrazol-1-yl]-5-oxo-6,7-dihydropyrrolo[3,4-b]pyridin-2-yl]-3-fluorobenzonitrile;3-fluoro-2-[4-[3-(4-morpholin-4-ylpiperidin-1-yl)pyrazol-1-yl]-5-oxo-6,7-dihydropyrrolo[3,4-b]pyridin-2-yl]benzonitrile;3-fluoro-2-[5-oxo-4-(1-propan-2-ylpyrazol-4-yl)-6,7-dihydropyrrolo[3,4-b]pyridin-2-yl]benzonitrile is sourced from PubChem (CID 159009894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).