2-(2,6-dioxopiperidin-3-yl)-6-[[7-[5-[(1R,3R)-2-(2-fluoro-2-methylpropyl)-3-methyl-1,3,4,9-tetrahydropyrido[3,4-b]indol-1-yl]pyrimidin-2-yl]-7-azaspiro[3.5]nonan-2-yl]methyl]-5,7-dihydropyrrolo[3,4-f]isoindole-1,3-dione

C44H49FN8O4 — CID 171719955

About 2-(2,6-dioxopiperidin-3-yl)-6-[[7-[5-[(1R,3R)-2-(2-fluoro-2-methylpropyl)-3-methyl-1,3,4,9-tetrahydropyrido[3,4-b]indol-1-yl]pyrimidin-2-yl]-7-azaspiro[3.5]nonan-2-yl]methyl]-5,7-dihydropyrrolo[3,4-f]isoindole-1,3-dione

2-(2,6-dioxopiperidin-3-yl)-6-[[7-[5-[(1R,3R)-2-(2-fluoro-2-methylpropyl)-3-methyl-1,3,4,9-tetrahydropyrido[3,4-b]indol-1-yl]pyrimidin-2-yl]-7-azaspiro[3.5]nonan-2-yl]methyl]-5,7-dihydropyrrolo[3,4-f]isoindole-1,3-dione (PubChem CID 171719955) has the molecular formula C44H49FN8O4 and a molecular weight of 772.93 g/mol. Its IUPAC name is 2-(2,6-dioxopiperidin-3-yl)-6-[[7-[5-[(1R,3R)-2-(2-fluoro-2-methylpropyl)-3-methyl-1,3,4,9-tetrahydropyrido[3,4-b]indol-1-yl]pyrimidin-2-yl]-7-azaspiro[3.5]nonan-2-yl]methyl]-5,7-dihydropyrrolo[3,4-f]isoindole-1,3-dione.

Molecular Properties

• Compound Name: 2-(2,6-dioxopiperidin-3-yl)-6-[[7-[5-[(1R,3R)-2-(2-fluoro-2-methylpropyl)-3-methyl-1,3,4,9-tetrahydropyrido[3,4-b]indol-1-yl]pyrimidin-2-yl]-7-azaspiro[3.5]nonan-2-yl]methyl]-5,7-dihydropyrrolo[3,4-f]isoindole-1,3-dione
• PubChem CID: 171719955
• Molecular Formula: C44H49FN8O4
• Molecular Weight: 772.93 g/mol
• Exact Mass: 772.39
• IUPAC Name: 2-(2,6-dioxopiperidin-3-yl)-6-[[7-[5-[(1R,3R)-2-(2-fluoro-2-methylpropyl)-3-methyl-1,3,4,9-tetrahydropyrido[3,4-b]indol-1-yl]pyrimidin-2-yl]-7-azaspiro[3.5]nonan-2-yl]methyl]-5,7-dihydropyrrolo[3,4-f]isoindole-1,3-dione
• SMILES: C[C@@H]1Cc2c([nH]c3ccccc23)[C@@H](c2cnc(N3CCC4(CC3)CC(CN3Cc5cc6c(cc5C3)C(=O)N(C3CCC(=O)NC3=O)C6=O)C4)nc2)N1CC(C)(C)F
• InChI: InChI=1S/C44H49FN8O4/c1-25-14-31-30-6-4-5-7-34(30)48-37(31)38(52(25)24-43(2,3)45)29-19-46-42(47-20-29)51-12-10-44(11-13-51)17-26(18-44)21-50-22-27-15-32-33(16-28(27)23-50)41(57)53(40(32)56)35-8-9-36(54)49-39(35)55/h4-7,15-16,19-20,25-26,35,38,48H,8-14,17-18,21-24H2,1-3H3,(H,49,54,55)/t25-,35?,38-/m1/s1
• InChIKey: XGTSRGMPTMWOPT-ZYFFKZBZSA-N
• XLogP: 5.46
• TPSA: 134.84 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 9
• Rotatable Bonds: 7
• Heavy Atoms: 57
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	772.93
LogP ≤ 5	5.46
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	9

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-(2,6-dioxopiperidin-3-yl)-6-[[7-[5-[(1R,3R)-2-(2-fluoro-2-methylpropyl)-3-methyl-1,3,4,9-tetrahydropyrido[3,4-b]indol-1-yl]pyrimidin-2-yl]-7-azaspiro[3.5]nonan-2-yl]methyl]-5,7-dihydropyrrolo[3,4-f]isoindole-1,3-dione?

The IUPAC name of 2-(2,6-dioxopiperidin-3-yl)-6-[[7-[5-[(1R,3R)-2-(2-fluoro-2-methylpropyl)-3-methyl-1,3,4,9-tetrahydropyrido[3,4-b]indol-1-yl]pyrimidin-2-yl]-7-azaspiro[3.5]nonan-2-yl]methyl]-5,7-dihydropyrrolo[3,4-f]isoindole-1,3-dione (CID 171719955) is 2-(2,6-dioxopiperidin-3-yl)-6-[[7-[5-[(1R,3R)-2-(2-fluoro-2-methylpropyl)-3-methyl-1,3,4,9-tetrahydropyrido[3,4-b]indol-1-yl]pyrimidin-2-yl]-7-azaspiro[3.5]nonan-2-yl]methyl]-5,7-dihydropyrrolo[3,4-f]isoindole-1,3-dione.

What is the SMILES notation for 2-(2,6-dioxopiperidin-3-yl)-6-[[7-[5-[(1R,3R)-2-(2-fluoro-2-methylpropyl)-3-methyl-1,3,4,9-tetrahydropyrido[3,4-b]indol-1-yl]pyrimidin-2-yl]-7-azaspiro[3.5]nonan-2-yl]methyl]-5,7-dihydropyrrolo[3,4-f]isoindole-1,3-dione?

The canonical SMILES for 2-(2,6-dioxopiperidin-3-yl)-6-[[7-[5-[(1R,3R)-2-(2-fluoro-2-methylpropyl)-3-methyl-1,3,4,9-tetrahydropyrido[3,4-b]indol-1-yl]pyrimidin-2-yl]-7-azaspiro[3.5]nonan-2-yl]methyl]-5,7-dihydropyrrolo[3,4-f]isoindole-1,3-dione is C[C@@H]1Cc2c([nH]c3ccccc23)[C@@H](c2cnc(N3CCC4(CC3)CC(CN3Cc5cc6c(cc5C3)C(=O)N(C3CCC(=O)NC3=O)C6=O)C4)nc2)N1CC(C)(C)F.

What is the InChIKey of 2-(2,6-dioxopiperidin-3-yl)-6-[[7-[5-[(1R,3R)-2-(2-fluoro-2-methylpropyl)-3-methyl-1,3,4,9-tetrahydropyrido[3,4-b]indol-1-yl]pyrimidin-2-yl]-7-azaspiro[3.5]nonan-2-yl]methyl]-5,7-dihydropyrrolo[3,4-f]isoindole-1,3-dione?

The InChIKey is XGTSRGMPTMWOPT-ZYFFKZBZSA-N. The full InChI is InChI=1S/C44H49FN8O4/c1-25-14-31-30-6-4-5-7-34(30)48-37(31)38(52(25)24-43(2,3)45)29-19-46-42(47-20-29)51-12-10-44(11-13-51)17-26(18-44)21-50-22-27-15-32-33(16-28(27)23-50)41(57)53(40(32)56)35-8-9-36(54)49-39(35)55/h4-7,15-16,19-20,25-26,35,38,48H,8-14,17-18,21-24H2,1-3H3,(H,49,54,55)/t25-,35?,38-/m1/s1.

What are the key properties of 2-(2,6-dioxopiperidin-3-yl)-6-[[7-[5-[(1R,3R)-2-(2-fluoro-2-methylpropyl)-3-methyl-1,3,4,9-tetrahydropyrido[3,4-b]indol-1-yl]pyrimidin-2-yl]-7-azaspiro[3.5]nonan-2-yl]methyl]-5,7-dihydropyrrolo[3,4-f]isoindole-1,3-dione?

2-(2,6-dioxopiperidin-3-yl)-6-[[7-[5-[(1R,3R)-2-(2-fluoro-2-methylpropyl)-3-methyl-1,3,4,9-tetrahydropyrido[3,4-b]indol-1-yl]pyrimidin-2-yl]-7-azaspiro[3.5]nonan-2-yl]methyl]-5,7-dihydropyrrolo[3,4-f]isoindole-1,3-dione has a molecular weight of 772.93 g/mol, XLogP of 5.46, 7 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(2,6-dioxopiperidin-3-yl)-6-[[7-[5-[(1R,3R)-2-(2-fluoro-2-methylpropyl)-3-methyl-1,3,4,9-tetrahydropyrido[3,4-b]indol-1-yl]pyrimidin-2-yl]-7-azaspiro[3.5]nonan-2-yl]methyl]-5,7-dihydropyrrolo[3,4-f]isoindole-1,3-dione is sourced from PubChem (CID 171719955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).