N-[3-[2-tert-butyl-5-[2-[3-[1-[2-(4-pyridin-2-ylpiperazin-1-yl)acetyl]piperidin-4-yl]oxyanilino]pyrimidin-4-yl]-1,3-thiazol-4-yl]-2-fluorophenyl]propane-1-sulfonamide;piperidine-2,6-dione

C47H57FN10O6S2 — CID 172569758

About N-[3-[2-tert-butyl-5-[2-[3-[1-[2-(4-pyridin-2-ylpiperazin-1-yl)acetyl]piperidin-4-yl]oxyanilino]pyrimidin-4-yl]-1,3-thiazol-4-yl]-2-fluorophenyl]propane-1-sulfonamide;piperidine-2,6-dione

N-[3-[2-tert-butyl-5-[2-[3-[1-[2-(4-pyridin-2-ylpiperazin-1-yl)acetyl]piperidin-4-yl]oxyanilino]pyrimidin-4-yl]-1,3-thiazol-4-yl]-2-fluorophenyl]propane-1-sulfonamide;piperidine-2,6-dione (PubChem CID 172569758) has the molecular formula C47H57FN10O6S2 and a molecular weight of 941.17 g/mol. Its IUPAC name is N-[3-[2-tert-butyl-5-[2-[3-[1-[2-(4-pyridin-2-ylpiperazin-1-yl)acetyl]piperidin-4-yl]oxyanilino]pyrimidin-4-yl]-1,3-thiazol-4-yl]-2-fluorophenyl]propane-1-sulfonamide;piperidine-2,6-dione.

Molecular Properties

• Compound Name: N-[3-[2-tert-butyl-5-[2-[3-[1-[2-(4-pyridin-2-ylpiperazin-1-yl)acetyl]piperidin-4-yl]oxyanilino]pyrimidin-4-yl]-1,3-thiazol-4-yl]-2-fluorophenyl]propane-1-sulfonamide;piperidine-2,6-dione
• PubChem CID: 172569758
• Molecular Formula: C47H57FN10O6S2
• Molecular Weight: 941.17 g/mol
• Exact Mass: 940.39
• IUPAC Name: N-[3-[2-tert-butyl-5-[2-[3-[1-[2-(4-pyridin-2-ylpiperazin-1-yl)acetyl]piperidin-4-yl]oxyanilino]pyrimidin-4-yl]-1,3-thiazol-4-yl]-2-fluorophenyl]propane-1-sulfonamide;piperidine-2,6-dione
• SMILES: CCCS(=O)(=O)Nc1cccc(-c2nc(C(C)(C)C)sc2-c2ccnc(Nc3cccc(OC4CCN(C(=O)CN5CCN(c6ccccn6)CC5)CC4)c3)n2)c1F.O=C1CCCC(=O)N1
• InChI: InChI=1S/C42H50FN9O4S2.C5H7NO2/c1-5-26-58(54,55)49-33-13-9-12-32(37(33)43)38-39(57-40(48-38)42(2,3)4)34-15-19-45-41(47-34)46-29-10-8-11-31(27-29)56-30-16-20-52(21-17-30)36(53)28-50-22-24-51(25-23-50)35-14-6-7-18-44-35;7-4-2-1-3-5(8)6-4/h6-15,18-19,27,30,49H,5,16-17,20-26,28H2,1-4H3,(H,45,46,47);1-3H2,(H,6,7,8)
• InChIKey: HGIVDNSQXLCYGC-UHFFFAOYSA-N
• XLogP: 7.00
• TPSA: 191.95 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 14
• Rotatable Bonds: 13
• Heavy Atoms: 66
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	941.17
LogP ≤ 5	7.00
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	14

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-[3-[2-tert-butyl-5-[2-[3-[1-[2-(4-pyridin-2-ylpiperazin-1-yl)acetyl]piperidin-4-yl]oxyanilino]pyrimidin-4-yl]-1,3-thiazol-4-yl]-2-fluorophenyl]propane-1-sulfonamide;piperidine-2,6-dione?

The IUPAC name of N-[3-[2-tert-butyl-5-[2-[3-[1-[2-(4-pyridin-2-ylpiperazin-1-yl)acetyl]piperidin-4-yl]oxyanilino]pyrimidin-4-yl]-1,3-thiazol-4-yl]-2-fluorophenyl]propane-1-sulfonamide;piperidine-2,6-dione (CID 172569758) is N-[3-[2-tert-butyl-5-[2-[3-[1-[2-(4-pyridin-2-ylpiperazin-1-yl)acetyl]piperidin-4-yl]oxyanilino]pyrimidin-4-yl]-1,3-thiazol-4-yl]-2-fluorophenyl]propane-1-sulfonamide;piperidine-2,6-dione.

What is the SMILES notation for N-[3-[2-tert-butyl-5-[2-[3-[1-[2-(4-pyridin-2-ylpiperazin-1-yl)acetyl]piperidin-4-yl]oxyanilino]pyrimidin-4-yl]-1,3-thiazol-4-yl]-2-fluorophenyl]propane-1-sulfonamide;piperidine-2,6-dione?

The canonical SMILES for N-[3-[2-tert-butyl-5-[2-[3-[1-[2-(4-pyridin-2-ylpiperazin-1-yl)acetyl]piperidin-4-yl]oxyanilino]pyrimidin-4-yl]-1,3-thiazol-4-yl]-2-fluorophenyl]propane-1-sulfonamide;piperidine-2,6-dione is CCCS(=O)(=O)Nc1cccc(-c2nc(C(C)(C)C)sc2-c2ccnc(Nc3cccc(OC4CCN(C(=O)CN5CCN(c6ccccn6)CC5)CC4)c3)n2)c1F.O=C1CCCC(=O)N1.

What is the InChIKey of N-[3-[2-tert-butyl-5-[2-[3-[1-[2-(4-pyridin-2-ylpiperazin-1-yl)acetyl]piperidin-4-yl]oxyanilino]pyrimidin-4-yl]-1,3-thiazol-4-yl]-2-fluorophenyl]propane-1-sulfonamide;piperidine-2,6-dione?

The InChIKey is HGIVDNSQXLCYGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H50FN9O4S2.C5H7NO2/c1-5-26-58(54,55)49-33-13-9-12-32(37(33)43)38-39(57-40(48-38)42(2,3)4)34-15-19-45-41(47-34)46-29-10-8-11-31(27-29)56-30-16-20-52(21-17-30)36(53)28-50-22-24-51(25-23-50)35-14-6-7-18-44-35;7-4-2-1-3-5(8)6-4/h6-15,18-19,27,30,49H,5,16-17,20-26,28H2,1-4H3,(H,45,46,47);1-3H2,(H,6,7,8).

What are the key properties of N-[3-[2-tert-butyl-5-[2-[3-[1-[2-(4-pyridin-2-ylpiperazin-1-yl)acetyl]piperidin-4-yl]oxyanilino]pyrimidin-4-yl]-1,3-thiazol-4-yl]-2-fluorophenyl]propane-1-sulfonamide;piperidine-2,6-dione?

N-[3-[2-tert-butyl-5-[2-[3-[1-[2-(4-pyridin-2-ylpiperazin-1-yl)acetyl]piperidin-4-yl]oxyanilino]pyrimidin-4-yl]-1,3-thiazol-4-yl]-2-fluorophenyl]propane-1-sulfonamide;piperidine-2,6-dione has a molecular weight of 941.17 g/mol, XLogP of 7.00, 13 rotatable bonds, 3 hydrogen bond donors, and 14 hydrogen bond acceptors.

Where does this data come from?

All data for N-[3-[2-tert-butyl-5-[2-[3-[1-[2-(4-pyridin-2-ylpiperazin-1-yl)acetyl]piperidin-4-yl]oxyanilino]pyrimidin-4-yl]-1,3-thiazol-4-yl]-2-fluorophenyl]propane-1-sulfonamide;piperidine-2,6-dione is sourced from PubChem (CID 172569758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).