4-(5-fluoro-1-methylpyrrolo[2,3-b]pyridin-4-yl)-7-[[5-(4-methylpiperazin-1-yl)-2-pyridinyl]amino]-2,3-dihydropyrrolo[3,4-c]pyridin-1-one;7-[[1-methyl-5-(oxan-4-yl)pyrazol-3-yl]amino]-4-(1-methylpyrrolo[2,3-b]pyridin-4-yl)-2,3-dihydroisoindol-1-one;7-[(5-piperazin-1-yl-2-pyridinyl)amino]-4-pyrazolo[1,5-a]pyrimidin-7-yl-2,3-dihydroisoindol-1-one

C73H73FN22O4 — CID 158344195

About 4-(5-fluoro-1-methylpyrrolo[2,3-b]pyridin-4-yl)-7-[[5-(4-methylpiperazin-1-yl)-2-pyridinyl]amino]-2,3-dihydropyrrolo[3,4-c]pyridin-1-one;7-[[1-methyl-5-(oxan-4-yl)pyrazol-3-yl]amino]-4-(1-methylpyrrolo[2,3-b]pyridin-4-yl)-2,3-dihydroisoindol-1-one;7-[(5-piperazin-1-yl-2-pyridinyl)amino]-4-pyrazolo[1,5-a]pyrimidin-7-yl-2,3-dihydroisoindol-1-one

4-(5-fluoro-1-methylpyrrolo[2,3-b]pyridin-4-yl)-7-[[5-(4-methylpiperazin-1-yl)-2-pyridinyl]amino]-2,3-dihydropyrrolo[3,4-c]pyridin-1-one;7-[[1-methyl-5-(oxan-4-yl)pyrazol-3-yl]amino]-4-(1-methylpyrrolo[2,3-b]pyridin-4-yl)-2,3-dihydroisoindol-1-one;7-[(5-piperazin-1-yl-2-pyridinyl)amino]-4-pyrazolo[1,5-a]pyrimidin-7-yl-2,3-dihydroisoindol-1-one (PubChem CID 158344195) has the molecular formula C73H73FN22O4 and a molecular weight of 1341.53 g/mol. Its IUPAC name is 4-(5-fluoro-1-methylpyrrolo[2,3-b]pyridin-4-yl)-7-[[5-(4-methylpiperazin-1-yl)-2-pyridinyl]amino]-2,3-dihydropyrrolo[3,4-c]pyridin-1-one;7-[[1-methyl-5-(oxan-4-yl)pyrazol-3-yl]amino]-4-(1-methylpyrrolo[2,3-b]pyridin-4-yl)-2,3-dihydroisoindol-1-one;7-[(5-piperazin-1-yl-2-pyridinyl)amino]-4-pyrazolo[1,5-a]pyrimidin-7-yl-2,3-dihydroisoindol-1-one.

Molecular Properties

• Compound Name: 4-(5-fluoro-1-methylpyrrolo[2,3-b]pyridin-4-yl)-7-[[5-(4-methylpiperazin-1-yl)-2-pyridinyl]amino]-2,3-dihydropyrrolo[3,4-c]pyridin-1-one;7-[[1-methyl-5-(oxan-4-yl)pyrazol-3-yl]amino]-4-(1-methylpyrrolo[2,3-b]pyridin-4-yl)-2,3-dihydroisoindol-1-one;7-[(5-piperazin-1-yl-2-pyridinyl)amino]-4-pyrazolo[1,5-a]pyrimidin-7-yl-2,3-dihydroisoindol-1-one
• PubChem CID: 158344195
• Molecular Formula: C73H73FN22O4
• Molecular Weight: 1341.53 g/mol
• Exact Mass: 1340.62
• IUPAC Name: 4-(5-fluoro-1-methylpyrrolo[2,3-b]pyridin-4-yl)-7-[[5-(4-methylpiperazin-1-yl)-2-pyridinyl]amino]-2,3-dihydropyrrolo[3,4-c]pyridin-1-one;7-[[1-methyl-5-(oxan-4-yl)pyrazol-3-yl]amino]-4-(1-methylpyrrolo[2,3-b]pyridin-4-yl)-2,3-dihydroisoindol-1-one;7-[(5-piperazin-1-yl-2-pyridinyl)amino]-4-pyrazolo[1,5-a]pyrimidin-7-yl-2,3-dihydroisoindol-1-one
• SMILES: CN1CCN(c2ccc(Nc3cnc(-c4c(F)cnc5c4ccn5C)c4c3C(=O)NC4)nc2)CC1.Cn1nc(Nc2ccc(-c3ccnc4c3ccn4C)c3c2C(=O)NC3)cc1C1CCOCC1.O=C1NCc2c(-c3ccnc4ccnn34)ccc(Nc3ccc(N4CCNCC4)cn3)c21
• InChI: InChI=1S/C25H25FN8O.C25H26N6O2.C23H22N8O/c1-32-7-9-34(10-8-32)15-3-4-20(27-11-15)31-19-14-28-23(17-12-30-25(35)22(17)19)21-16-5-6-33(2)24(16)29-13-18(21)26;1-30-10-6-18-17(5-9-26-24(18)30)16-3-4-20(23-19(16)14-27-25(23)32)28-22-13-21(31(2)29-22)15-7-11-33-12-8-15;32-23-22-17(14-27-23)16(19-5-7-25-21-6-8-28-31(19)21)2-3-18(22)29-20-4-1-15(13-26-20)30-11-9-24-10-12-30/h3-6,11,13-14H,7-10,12H2,1-2H3,(H,27,31)(H,30,35);3-6,9-10,13,15H,7-8,11-12,14H2,1-2H3,(H,27,32)(H,28,29);1-8,13,24H,9-12,14H2,(H,26,29)(H,27,32)
• InChIKey: GRNLNKQTKVGSPX-UHFFFAOYSA-N
• XLogP: 8.95
• TPSA: 276.69 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 23
• Rotatable Bonds: 12
• Heavy Atoms: 100
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1341.53
LogP ≤ 5	8.95
H-Bond Donors ≤ 5	7
H-Bond Acceptors ≤ 10	23

Frequently Asked Questions

What is the IUPAC name of 4-(5-fluoro-1-methylpyrrolo[2,3-b]pyridin-4-yl)-7-[[5-(4-methylpiperazin-1-yl)-2-pyridinyl]amino]-2,3-dihydropyrrolo[3,4-c]pyridin-1-one;7-[[1-methyl-5-(oxan-4-yl)pyrazol-3-yl]amino]-4-(1-methylpyrrolo[2,3-b]pyridin-4-yl)-2,3-dihydroisoindol-1-one;7-[(5-piperazin-1-yl-2-pyridinyl)amino]-4-pyrazolo[1,5-a]pyrimidin-7-yl-2,3-dihydroisoindol-1-one?

The IUPAC name of 4-(5-fluoro-1-methylpyrrolo[2,3-b]pyridin-4-yl)-7-[[5-(4-methylpiperazin-1-yl)-2-pyridinyl]amino]-2,3-dihydropyrrolo[3,4-c]pyridin-1-one;7-[[1-methyl-5-(oxan-4-yl)pyrazol-3-yl]amino]-4-(1-methylpyrrolo[2,3-b]pyridin-4-yl)-2,3-dihydroisoindol-1-one;7-[(5-piperazin-1-yl-2-pyridinyl)amino]-4-pyrazolo[1,5-a]pyrimidin-7-yl-2,3-dihydroisoindol-1-one (CID 158344195) is 4-(5-fluoro-1-methylpyrrolo[2,3-b]pyridin-4-yl)-7-[[5-(4-methylpiperazin-1-yl)-2-pyridinyl]amino]-2,3-dihydropyrrolo[3,4-c]pyridin-1-one;7-[[1-methyl-5-(oxan-4-yl)pyrazol-3-yl]amino]-4-(1-methylpyrrolo[2,3-b]pyridin-4-yl)-2,3-dihydroisoindol-1-one;7-[(5-piperazin-1-yl-2-pyridinyl)amino]-4-pyrazolo[1,5-a]pyrimidin-7-yl-2,3-dihydroisoindol-1-one.

What is the SMILES notation for 4-(5-fluoro-1-methylpyrrolo[2,3-b]pyridin-4-yl)-7-[[5-(4-methylpiperazin-1-yl)-2-pyridinyl]amino]-2,3-dihydropyrrolo[3,4-c]pyridin-1-one;7-[[1-methyl-5-(oxan-4-yl)pyrazol-3-yl]amino]-4-(1-methylpyrrolo[2,3-b]pyridin-4-yl)-2,3-dihydroisoindol-1-one;7-[(5-piperazin-1-yl-2-pyridinyl)amino]-4-pyrazolo[1,5-a]pyrimidin-7-yl-2,3-dihydroisoindol-1-one?

The canonical SMILES for 4-(5-fluoro-1-methylpyrrolo[2,3-b]pyridin-4-yl)-7-[[5-(4-methylpiperazin-1-yl)-2-pyridinyl]amino]-2,3-dihydropyrrolo[3,4-c]pyridin-1-one;7-[[1-methyl-5-(oxan-4-yl)pyrazol-3-yl]amino]-4-(1-methylpyrrolo[2,3-b]pyridin-4-yl)-2,3-dihydroisoindol-1-one;7-[(5-piperazin-1-yl-2-pyridinyl)amino]-4-pyrazolo[1,5-a]pyrimidin-7-yl-2,3-dihydroisoindol-1-one is CN1CCN(c2ccc(Nc3cnc(-c4c(F)cnc5c4ccn5C)c4c3C(=O)NC4)nc2)CC1.Cn1nc(Nc2ccc(-c3ccnc4c3ccn4C)c3c2C(=O)NC3)cc1C1CCOCC1.O=C1NCc2c(-c3ccnc4ccnn34)ccc(Nc3ccc(N4CCNCC4)cn3)c21.

What is the InChIKey of 4-(5-fluoro-1-methylpyrrolo[2,3-b]pyridin-4-yl)-7-[[5-(4-methylpiperazin-1-yl)-2-pyridinyl]amino]-2,3-dihydropyrrolo[3,4-c]pyridin-1-one;7-[[1-methyl-5-(oxan-4-yl)pyrazol-3-yl]amino]-4-(1-methylpyrrolo[2,3-b]pyridin-4-yl)-2,3-dihydroisoindol-1-one;7-[(5-piperazin-1-yl-2-pyridinyl)amino]-4-pyrazolo[1,5-a]pyrimidin-7-yl-2,3-dihydroisoindol-1-one?

The InChIKey is GRNLNKQTKVGSPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25FN8O.C25H26N6O2.C23H22N8O/c1-32-7-9-34(10-8-32)15-3-4-20(27-11-15)31-19-14-28-23(17-12-30-25(35)22(17)19)21-16-5-6-33(2)24(16)29-13-18(21)26;1-30-10-6-18-17(5-9-26-24(18)30)16-3-4-20(23-19(16)14-27-25(23)32)28-22-13-21(31(2)29-22)15-7-11-33-12-8-15;32-23-22-17(14-27-23)16(19-5-7-25-21-6-8-28-31(19)21)2-3-18(22)29-20-4-1-15(13-26-20)30-11-9-24-10-12-30/h3-6,11,13-14H,7-10,12H2,1-2H3,(H,27,31)(H,30,35);3-6,9-10,13,15H,7-8,11-12,14H2,1-2H3,(H,27,32)(H,28,29);1-8,13,24H,9-12,14H2,(H,26,29)(H,27,32).

What are the key properties of 4-(5-fluoro-1-methylpyrrolo[2,3-b]pyridin-4-yl)-7-[[5-(4-methylpiperazin-1-yl)-2-pyridinyl]amino]-2,3-dihydropyrrolo[3,4-c]pyridin-1-one;7-[[1-methyl-5-(oxan-4-yl)pyrazol-3-yl]amino]-4-(1-methylpyrrolo[2,3-b]pyridin-4-yl)-2,3-dihydroisoindol-1-one;7-[(5-piperazin-1-yl-2-pyridinyl)amino]-4-pyrazolo[1,5-a]pyrimidin-7-yl-2,3-dihydroisoindol-1-one?

4-(5-fluoro-1-methylpyrrolo[2,3-b]pyridin-4-yl)-7-[[5-(4-methylpiperazin-1-yl)-2-pyridinyl]amino]-2,3-dihydropyrrolo[3,4-c]pyridin-1-one;7-[[1-methyl-5-(oxan-4-yl)pyrazol-3-yl]amino]-4-(1-methylpyrrolo[2,3-b]pyridin-4-yl)-2,3-dihydroisoindol-1-one;7-[(5-piperazin-1-yl-2-pyridinyl)amino]-4-pyrazolo[1,5-a]pyrimidin-7-yl-2,3-dihydroisoindol-1-one has a molecular weight of 1341.53 g/mol, XLogP of 8.95, 12 rotatable bonds, 7 hydrogen bond donors, and 23 hydrogen bond acceptors.

Where does this data come from?

All data for 4-(5-fluoro-1-methylpyrrolo[2,3-b]pyridin-4-yl)-7-[[5-(4-methylpiperazin-1-yl)-2-pyridinyl]amino]-2,3-dihydropyrrolo[3,4-c]pyridin-1-one;7-[[1-methyl-5-(oxan-4-yl)pyrazol-3-yl]amino]-4-(1-methylpyrrolo[2,3-b]pyridin-4-yl)-2,3-dihydroisoindol-1-one;7-[(5-piperazin-1-yl-2-pyridinyl)amino]-4-pyrazolo[1,5-a]pyrimidin-7-yl-2,3-dihydroisoindol-1-one is sourced from PubChem (CID 158344195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).