1-[4-[4-[(2,6-dioxopiperidin-3-yl)amino]-2-fluorophenyl]piperidin-1-yl]-N-[4-[[5-fluoro-4-[6-(2-oxopiperidin-1-yl)-2-pyridinyl]pyrimidin-2-yl]amino]cyclohexyl]cyclohexane-1-carboxamide

C43H53F2N9O4 — CID 172592765

About 1-[4-[4-[(2,6-dioxopiperidin-3-yl)amino]-2-fluorophenyl]piperidin-1-yl]-N-[4-[[5-fluoro-4-[6-(2-oxopiperidin-1-yl)-2-pyridinyl]pyrimidin-2-yl]amino]cyclohexyl]cyclohexane-1-carboxamide

1-[4-[4-[(2,6-dioxopiperidin-3-yl)amino]-2-fluorophenyl]piperidin-1-yl]-N-[4-[[5-fluoro-4-[6-(2-oxopiperidin-1-yl)-2-pyridinyl]pyrimidin-2-yl]amino]cyclohexyl]cyclohexane-1-carboxamide (PubChem CID 172592765) has the molecular formula C43H53F2N9O4 and a molecular weight of 797.95 g/mol. Its IUPAC name is 1-[4-[4-[(2,6-dioxopiperidin-3-yl)amino]-2-fluorophenyl]piperidin-1-yl]-N-[4-[[5-fluoro-4-[6-(2-oxopiperidin-1-yl)-2-pyridinyl]pyrimidin-2-yl]amino]cyclohexyl]cyclohexane-1-carboxamide.

Molecular Properties

• Compound Name: 1-[4-[4-[(2,6-dioxopiperidin-3-yl)amino]-2-fluorophenyl]piperidin-1-yl]-N-[4-[[5-fluoro-4-[6-(2-oxopiperidin-1-yl)-2-pyridinyl]pyrimidin-2-yl]amino]cyclohexyl]cyclohexane-1-carboxamide
• PubChem CID: 172592765
• Molecular Formula: C43H53F2N9O4
• Molecular Weight: 797.95 g/mol
• Exact Mass: 797.42
• IUPAC Name: 1-[4-[4-[(2,6-dioxopiperidin-3-yl)amino]-2-fluorophenyl]piperidin-1-yl]-N-[4-[[5-fluoro-4-[6-(2-oxopiperidin-1-yl)-2-pyridinyl]pyrimidin-2-yl]amino]cyclohexyl]cyclohexane-1-carboxamide
• SMILES: O=C1CCC(Nc2ccc(C3CCN(C4(C(=O)NC5CCC(Nc6ncc(F)c(-c7cccc(N8CCCCC8=O)n7)n6)CC5)CCCCC4)CC3)c(F)c2)C(=O)N1
• InChI: InChI=1S/C43H53F2N9O4/c44-32-25-30(47-35-16-17-37(55)51-40(35)57)14-15-31(32)27-18-23-53(24-19-27)43(20-3-1-4-21-43)41(58)48-28-10-12-29(13-11-28)49-42-46-26-33(45)39(52-42)34-7-6-8-36(50-34)54-22-5-2-9-38(54)56/h6-8,14-15,25-29,35,47H,1-5,9-13,16-24H2,(H,48,58)(H,46,49,52)(H,51,55,57)
• InChIKey: SSWJOOUEGWEMBN-UHFFFAOYSA-N
• XLogP: 5.97
• TPSA: 161.55 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 10
• Rotatable Bonds: 10
• Heavy Atoms: 58
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	797.95
LogP ≤ 5	5.97
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	10

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 1-[4-[4-[(2,6-dioxopiperidin-3-yl)amino]-2-fluorophenyl]piperidin-1-yl]-N-[4-[[5-fluoro-4-[6-(2-oxopiperidin-1-yl)-2-pyridinyl]pyrimidin-2-yl]amino]cyclohexyl]cyclohexane-1-carboxamide?

The IUPAC name of 1-[4-[4-[(2,6-dioxopiperidin-3-yl)amino]-2-fluorophenyl]piperidin-1-yl]-N-[4-[[5-fluoro-4-[6-(2-oxopiperidin-1-yl)-2-pyridinyl]pyrimidin-2-yl]amino]cyclohexyl]cyclohexane-1-carboxamide (CID 172592765) is 1-[4-[4-[(2,6-dioxopiperidin-3-yl)amino]-2-fluorophenyl]piperidin-1-yl]-N-[4-[[5-fluoro-4-[6-(2-oxopiperidin-1-yl)-2-pyridinyl]pyrimidin-2-yl]amino]cyclohexyl]cyclohexane-1-carboxamide.

What is the SMILES notation for 1-[4-[4-[(2,6-dioxopiperidin-3-yl)amino]-2-fluorophenyl]piperidin-1-yl]-N-[4-[[5-fluoro-4-[6-(2-oxopiperidin-1-yl)-2-pyridinyl]pyrimidin-2-yl]amino]cyclohexyl]cyclohexane-1-carboxamide?

The canonical SMILES for 1-[4-[4-[(2,6-dioxopiperidin-3-yl)amino]-2-fluorophenyl]piperidin-1-yl]-N-[4-[[5-fluoro-4-[6-(2-oxopiperidin-1-yl)-2-pyridinyl]pyrimidin-2-yl]amino]cyclohexyl]cyclohexane-1-carboxamide is O=C1CCC(Nc2ccc(C3CCN(C4(C(=O)NC5CCC(Nc6ncc(F)c(-c7cccc(N8CCCCC8=O)n7)n6)CC5)CCCCC4)CC3)c(F)c2)C(=O)N1.

What is the InChIKey of 1-[4-[4-[(2,6-dioxopiperidin-3-yl)amino]-2-fluorophenyl]piperidin-1-yl]-N-[4-[[5-fluoro-4-[6-(2-oxopiperidin-1-yl)-2-pyridinyl]pyrimidin-2-yl]amino]cyclohexyl]cyclohexane-1-carboxamide?

The InChIKey is SSWJOOUEGWEMBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C43H53F2N9O4/c44-32-25-30(47-35-16-17-37(55)51-40(35)57)14-15-31(32)27-18-23-53(24-19-27)43(20-3-1-4-21-43)41(58)48-28-10-12-29(13-11-28)49-42-46-26-33(45)39(52-42)34-7-6-8-36(50-34)54-22-5-2-9-38(54)56/h6-8,14-15,25-29,35,47H,1-5,9-13,16-24H2,(H,48,58)(H,46,49,52)(H,51,55,57).

What are the key properties of 1-[4-[4-[(2,6-dioxopiperidin-3-yl)amino]-2-fluorophenyl]piperidin-1-yl]-N-[4-[[5-fluoro-4-[6-(2-oxopiperidin-1-yl)-2-pyridinyl]pyrimidin-2-yl]amino]cyclohexyl]cyclohexane-1-carboxamide?

1-[4-[4-[(2,6-dioxopiperidin-3-yl)amino]-2-fluorophenyl]piperidin-1-yl]-N-[4-[[5-fluoro-4-[6-(2-oxopiperidin-1-yl)-2-pyridinyl]pyrimidin-2-yl]amino]cyclohexyl]cyclohexane-1-carboxamide has a molecular weight of 797.95 g/mol, XLogP of 5.97, 10 rotatable bonds, 4 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[4-[4-[(2,6-dioxopiperidin-3-yl)amino]-2-fluorophenyl]piperidin-1-yl]-N-[4-[[5-fluoro-4-[6-(2-oxopiperidin-1-yl)-2-pyridinyl]pyrimidin-2-yl]amino]cyclohexyl]cyclohexane-1-carboxamide is sourced from PubChem (CID 172592765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).