5-bromo-2-(2,6-dioxopiperidin-3-yl)-6-[[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

C43H44BrF2N11O4 — CID 168871891

About 5-bromo-2-(2,6-dioxopiperidin-3-yl)-6-[[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

5-bromo-2-(2,6-dioxopiperidin-3-yl)-6-[[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 168871891) has the molecular formula C43H44BrF2N11O4 and a molecular weight of 896.80 g/mol. Its IUPAC name is 5-bromo-2-(2,6-dioxopiperidin-3-yl)-6-[[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: 5-bromo-2-(2,6-dioxopiperidin-3-yl)-6-[[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: 168871891
• Molecular Formula: C43H44BrF2N11O4
• Molecular Weight: 896.80 g/mol
• Exact Mass: 895.27
• IUPAC Name: 5-bromo-2-(2,6-dioxopiperidin-3-yl)-6-[[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(Cc7cc8c(cc7Br)C(=O)N(C7CCC(=O)NC7=O)C8=O)CC6)CC5)cn4)ncc3F)cc2n1C(C)C
• InChI: InChI=1S/C43H44BrF2N11O4/c1-23(2)56-24(3)49-39-32(45)17-25(18-35(39)56)38-33(46)21-48-43(52-38)50-36-6-4-28(20-47-36)54-10-8-27(9-11-54)55-14-12-53(13-15-55)22-26-16-29-30(19-31(26)44)42(61)57(41(29)60)34-5-7-37(58)51-40(34)59/h4,6,16-21,23,27,34H,5,7-15,22H2,1-3H3,(H,51,58,59)(H,47,48,50,52)
• InChIKey: SBVOOYSQFUZHJJ-UHFFFAOYSA-N
• XLogP: 5.75
• TPSA: 161.79 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 13
• Rotatable Bonds: 9
• Heavy Atoms: 61
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	896.80
LogP ≤ 5	5.75
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 5-bromo-2-(2,6-dioxopiperidin-3-yl)-6-[[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 5-bromo-2-(2,6-dioxopiperidin-3-yl)-6-[[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 168871891) is 5-bromo-2-(2,6-dioxopiperidin-3-yl)-6-[[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 5-bromo-2-(2,6-dioxopiperidin-3-yl)-6-[[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 5-bromo-2-(2,6-dioxopiperidin-3-yl)-6-[[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(Cc7cc8c(cc7Br)C(=O)N(C7CCC(=O)NC7=O)C8=O)CC6)CC5)cn4)ncc3F)cc2n1C(C)C.

What is the InChIKey of 5-bromo-2-(2,6-dioxopiperidin-3-yl)-6-[[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 SBVOOYSQFUZHJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C43H44BrF2N11O4/c1-23(2)56-24(3)49-39-32(45)17-25(18-35(39)56)38-33(46)21-48-43(52-38)50-36-6-4-28(20-47-36)54-10-8-27(9-11-54)55-14-12-53(13-15-55)22-26-16-29-30(19-31(26)44)42(61)57(41(29)60)34-5-7-37(58)51-40(34)59/h4,6,16-21,23,27,34H,5,7-15,22H2,1-3H3,(H,51,58,59)(H,47,48,50,52).

What are the key properties of 5-bromo-2-(2,6-dioxopiperidin-3-yl)-6-[[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?

5-bromo-2-(2,6-dioxopiperidin-3-yl)-6-[[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 896.80 g/mol, XLogP of 5.75, 9 rotatable bonds, 2 hydrogen bond donors, and 13 hydrogen bond acceptors.

Where does this data come from?

All data for 5-bromo-2-(2,6-dioxopiperidin-3-yl)-6-[[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 168871891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).