2-(2,6-dioxopiperidin-3-yl)-5-[[4-[1-[6-[[5-fluoro-4-(7-fluoro-2-methyl-3-propan-2-ylbenzimidazol-5-yl)pyrimidin-2-yl]amino]-3-pyridinyl]piperidin-4-yl]piperazin-1-yl]methyl]isoindole-1,3-dione

C43H45F2N11O4 — CID 168870902

About 2-(2,6-dioxopiperidin-3-yl)-5-[[4-[1-[6-[[5-fluoro-4-(7-fluoro-2-methyl-3-propan-2-ylbenzimidazol-5-yl)pyrimidin-2-yl]amino]-3-pyridinyl]piperidin-4-yl]piperazin-1-yl]methyl]isoindole-1,3-dione

2-(2,6-dioxopiperidin-3-yl)-5-[[4-[1-[6-[[5-fluoro-4-(7-fluoro-2-methyl-3-propan-2-ylbenzimidazol-5-yl)pyrimidin-2-yl]amino]-3-pyridinyl]piperidin-4-yl]piperazin-1-yl]methyl]isoindole-1,3-dione (PubChem CID 168870902) has the molecular formula C43H45F2N11O4 and a molecular weight of 817.90 g/mol. Its IUPAC name is 2-(2,6-dioxopiperidin-3-yl)-5-[[4-[1-[6-[[5-fluoro-4-(7-fluoro-2-methyl-3-propan-2-ylbenzimidazol-5-yl)pyrimidin-2-yl]amino]-3-pyridinyl]piperidin-4-yl]piperazin-1-yl]methyl]isoindole-1,3-dione.

Molecular Properties

• Compound Name: 2-(2,6-dioxopiperidin-3-yl)-5-[[4-[1-[6-[[5-fluoro-4-(7-fluoro-2-methyl-3-propan-2-ylbenzimidazol-5-yl)pyrimidin-2-yl]amino]-3-pyridinyl]piperidin-4-yl]piperazin-1-yl]methyl]isoindole-1,3-dione
• PubChem CID: 168870902
• Molecular Formula: C43H45F2N11O4
• Molecular Weight: 817.90 g/mol
• Exact Mass: 817.36
• IUPAC Name: 2-(2,6-dioxopiperidin-3-yl)-5-[[4-[1-[6-[[5-fluoro-4-(7-fluoro-2-methyl-3-propan-2-ylbenzimidazol-5-yl)pyrimidin-2-yl]amino]-3-pyridinyl]piperidin-4-yl]piperazin-1-yl]methyl]isoindole-1,3-dione
• SMILES: Cc1nc2c(F)cc(-c3nc(Nc4ccc(N5CCC(N6CCN(Cc7ccc8c(c7)C(=O)N(C7CCC(=O)NC7=O)C8=O)CC6)CC5)cn4)ncc3F)cc2n1C(C)C
• InChI: InChI=1S/C43H45F2N11O4/c1-24(2)55-25(3)48-39-32(44)19-27(20-35(39)55)38-33(45)22-47-43(51-38)49-36-8-5-29(21-46-36)53-12-10-28(11-13-53)54-16-14-52(15-17-54)23-26-4-6-30-31(18-26)42(60)56(41(30)59)34-7-9-37(57)50-40(34)58/h4-6,8,18-22,24,28,34H,7,9-17,23H2,1-3H3,(H,50,57,58)(H,46,47,49,51)
• InChIKey: PCMWMTAZSWBWKA-UHFFFAOYSA-N
• XLogP: 4.99
• TPSA: 161.79 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 13
• Rotatable Bonds: 9
• Heavy Atoms: 60
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	817.90
LogP ≤ 5	4.99
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	13

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'phthalimide', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-(2,6-dioxopiperidin-3-yl)-5-[[4-[1-[6-[[5-fluoro-4-(7-fluoro-2-methyl-3-propan-2-ylbenzimidazol-5-yl)pyrimidin-2-yl]amino]-3-pyridinyl]piperidin-4-yl]piperazin-1-yl]methyl]isoindole-1,3-dione?

The IUPAC name of 2-(2,6-dioxopiperidin-3-yl)-5-[[4-[1-[6-[[5-fluoro-4-(7-fluoro-2-methyl-3-propan-2-ylbenzimidazol-5-yl)pyrimidin-2-yl]amino]-3-pyridinyl]piperidin-4-yl]piperazin-1-yl]methyl]isoindole-1,3-dione (CID 168870902) is 2-(2,6-dioxopiperidin-3-yl)-5-[[4-[1-[6-[[5-fluoro-4-(7-fluoro-2-methyl-3-propan-2-ylbenzimidazol-5-yl)pyrimidin-2-yl]amino]-3-pyridinyl]piperidin-4-yl]piperazin-1-yl]methyl]isoindole-1,3-dione.

What is the SMILES notation for 2-(2,6-dioxopiperidin-3-yl)-5-[[4-[1-[6-[[5-fluoro-4-(7-fluoro-2-methyl-3-propan-2-ylbenzimidazol-5-yl)pyrimidin-2-yl]amino]-3-pyridinyl]piperidin-4-yl]piperazin-1-yl]methyl]isoindole-1,3-dione?

The canonical SMILES for 2-(2,6-dioxopiperidin-3-yl)-5-[[4-[1-[6-[[5-fluoro-4-(7-fluoro-2-methyl-3-propan-2-ylbenzimidazol-5-yl)pyrimidin-2-yl]amino]-3-pyridinyl]piperidin-4-yl]piperazin-1-yl]methyl]isoindole-1,3-dione is Cc1nc2c(F)cc(-c3nc(Nc4ccc(N5CCC(N6CCN(Cc7ccc8c(c7)C(=O)N(C7CCC(=O)NC7=O)C8=O)CC6)CC5)cn4)ncc3F)cc2n1C(C)C.

What is the InChIKey of 2-(2,6-dioxopiperidin-3-yl)-5-[[4-[1-[6-[[5-fluoro-4-(7-fluoro-2-methyl-3-propan-2-ylbenzimidazol-5-yl)pyrimidin-2-yl]amino]-3-pyridinyl]piperidin-4-yl]piperazin-1-yl]methyl]isoindole-1,3-dione?

The InChIKey is PCMWMTAZSWBWKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C43H45F2N11O4/c1-24(2)55-25(3)48-39-32(44)19-27(20-35(39)55)38-33(45)22-47-43(51-38)49-36-8-5-29(21-46-36)53-12-10-28(11-13-53)54-16-14-52(15-17-54)23-26-4-6-30-31(18-26)42(60)56(41(30)59)34-7-9-37(57)50-40(34)58/h4-6,8,18-22,24,28,34H,7,9-17,23H2,1-3H3,(H,50,57,58)(H,46,47,49,51).

What are the key properties of 2-(2,6-dioxopiperidin-3-yl)-5-[[4-[1-[6-[[5-fluoro-4-(7-fluoro-2-methyl-3-propan-2-ylbenzimidazol-5-yl)pyrimidin-2-yl]amino]-3-pyridinyl]piperidin-4-yl]piperazin-1-yl]methyl]isoindole-1,3-dione?

2-(2,6-dioxopiperidin-3-yl)-5-[[4-[1-[6-[[5-fluoro-4-(7-fluoro-2-methyl-3-propan-2-ylbenzimidazol-5-yl)pyrimidin-2-yl]amino]-3-pyridinyl]piperidin-4-yl]piperazin-1-yl]methyl]isoindole-1,3-dione has a molecular weight of 817.90 g/mol, XLogP of 4.99, 9 rotatable bonds, 2 hydrogen bond donors, and 13 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(2,6-dioxopiperidin-3-yl)-5-[[4-[1-[6-[[5-fluoro-4-(7-fluoro-2-methyl-3-propan-2-ylbenzimidazol-5-yl)pyrimidin-2-yl]amino]-3-pyridinyl]piperidin-4-yl]piperazin-1-yl]methyl]isoindole-1,3-dione is sourced from PubChem (CID 168870902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).