4-[4-[2-[4-[4-[6-amino-5-[(1R)-1-[5-fluoro-2-(triazol-2-yl)phenyl]ethoxy]-3-pyridinyl]pyrazol-1-yl]piperidin-1-yl]ethyl]piperidin-1-yl]-N-(2,6-dioxopiperidin-3-yl)benzamide

C42H48FN11O4 — CID 171094345

About 4-[4-[2-[4-[4-[6-amino-5-[(1R)-1-[5-fluoro-2-(triazol-2-yl)phenyl]ethoxy]-3-pyridinyl]pyrazol-1-yl]piperidin-1-yl]ethyl]piperidin-1-yl]-N-(2,6-dioxopiperidin-3-yl)benzamide

4-[4-[2-[4-[4-[6-amino-5-[(1R)-1-[5-fluoro-2-(triazol-2-yl)phenyl]ethoxy]-3-pyridinyl]pyrazol-1-yl]piperidin-1-yl]ethyl]piperidin-1-yl]-N-(2,6-dioxopiperidin-3-yl)benzamide (PubChem CID 171094345) has the molecular formula C42H48FN11O4 and a molecular weight of 789.92 g/mol. Its IUPAC name is 4-[4-[2-[4-[4-[6-amino-5-[(1R)-1-[5-fluoro-2-(triazol-2-yl)phenyl]ethoxy]-3-pyridinyl]pyrazol-1-yl]piperidin-1-yl]ethyl]piperidin-1-yl]-N-(2,6-dioxopiperidin-3-yl)benzamide.

Molecular Properties

• Compound Name: 4-[4-[2-[4-[4-[6-amino-5-[(1R)-1-[5-fluoro-2-(triazol-2-yl)phenyl]ethoxy]-3-pyridinyl]pyrazol-1-yl]piperidin-1-yl]ethyl]piperidin-1-yl]-N-(2,6-dioxopiperidin-3-yl)benzamide
• PubChem CID: 171094345
• Molecular Formula: C42H48FN11O4
• Molecular Weight: 789.92 g/mol
• Exact Mass: 789.39
• IUPAC Name: 4-[4-[2-[4-[4-[6-amino-5-[(1R)-1-[5-fluoro-2-(triazol-2-yl)phenyl]ethoxy]-3-pyridinyl]pyrazol-1-yl]piperidin-1-yl]ethyl]piperidin-1-yl]-N-(2,6-dioxopiperidin-3-yl)benzamide
• SMILES: C[C@@H](Oc1cc(-c2cnn(C3CCN(CCC4CCN(c5ccc(C(=O)NC6CCC(=O)NC6=O)cc5)CC4)CC3)c2)cnc1N)c1cc(F)ccc1-n1nccn1
• InChI: InChI=1S/C42H48FN11O4/c1-27(35-23-32(43)4-8-37(35)54-46-15-16-47-54)58-38-22-30(24-45-40(38)44)31-25-48-53(26-31)34-13-18-51(19-14-34)17-10-28-11-20-52(21-12-28)33-5-2-29(3-6-33)41(56)49-36-7-9-39(55)50-42(36)57/h2-6,8,15-16,22-28,34,36H,7,9-14,17-21H2,1H3,(H2,44,45)(H,49,56)(H,50,55,57)/t27-,36?/m1/s1
• InChIKey: DYGMSZKRNIUZJL-YEBNLHQGSA-N
• XLogP: 4.87
• TPSA: 178.42 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 13
• Rotatable Bonds: 12
• Heavy Atoms: 58
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	789.92
LogP ≤ 5	4.87
H-Bond Donors ≤ 5	3
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 4-[4-[2-[4-[4-[6-amino-5-[(1R)-1-[5-fluoro-2-(triazol-2-yl)phenyl]ethoxy]-3-pyridinyl]pyrazol-1-yl]piperidin-1-yl]ethyl]piperidin-1-yl]-N-(2,6-dioxopiperidin-3-yl)benzamide?

The IUPAC name of 4-[4-[2-[4-[4-[6-amino-5-[(1R)-1-[5-fluoro-2-(triazol-2-yl)phenyl]ethoxy]-3-pyridinyl]pyrazol-1-yl]piperidin-1-yl]ethyl]piperidin-1-yl]-N-(2,6-dioxopiperidin-3-yl)benzamide (CID 171094345) is 4-[4-[2-[4-[4-[6-amino-5-[(1R)-1-[5-fluoro-2-(triazol-2-yl)phenyl]ethoxy]-3-pyridinyl]pyrazol-1-yl]piperidin-1-yl]ethyl]piperidin-1-yl]-N-(2,6-dioxopiperidin-3-yl)benzamide.

What is the SMILES notation for 4-[4-[2-[4-[4-[6-amino-5-[(1R)-1-[5-fluoro-2-(triazol-2-yl)phenyl]ethoxy]-3-pyridinyl]pyrazol-1-yl]piperidin-1-yl]ethyl]piperidin-1-yl]-N-(2,6-dioxopiperidin-3-yl)benzamide?

The canonical SMILES for 4-[4-[2-[4-[4-[6-amino-5-[(1R)-1-[5-fluoro-2-(triazol-2-yl)phenyl]ethoxy]-3-pyridinyl]pyrazol-1-yl]piperidin-1-yl]ethyl]piperidin-1-yl]-N-(2,6-dioxopiperidin-3-yl)benzamide is C[C@@H](Oc1cc(-c2cnn(C3CCN(CCC4CCN(c5ccc(C(=O)NC6CCC(=O)NC6=O)cc5)CC4)CC3)c2)cnc1N)c1cc(F)ccc1-n1nccn1.

What is the InChIKey of 4-[4-[2-[4-[4-[6-amino-5-[(1R)-1-[5-fluoro-2-(triazol-2-yl)phenyl]ethoxy]-3-pyridinyl]pyrazol-1-yl]piperidin-1-yl]ethyl]piperidin-1-yl]-N-(2,6-dioxopiperidin-3-yl)benzamide?

The InChIKey is DYGMSZKRNIUZJL-YEBNLHQGSA-N. The full InChI is InChI=1S/C42H48FN11O4/c1-27(35-23-32(43)4-8-37(35)54-46-15-16-47-54)58-38-22-30(24-45-40(38)44)31-25-48-53(26-31)34-13-18-51(19-14-34)17-10-28-11-20-52(21-12-28)33-5-2-29(3-6-33)41(56)49-36-7-9-39(55)50-42(36)57/h2-6,8,15-16,22-28,34,36H,7,9-14,17-21H2,1H3,(H2,44,45)(H,49,56)(H,50,55,57)/t27-,36?/m1/s1.

What are the key properties of 4-[4-[2-[4-[4-[6-amino-5-[(1R)-1-[5-fluoro-2-(triazol-2-yl)phenyl]ethoxy]-3-pyridinyl]pyrazol-1-yl]piperidin-1-yl]ethyl]piperidin-1-yl]-N-(2,6-dioxopiperidin-3-yl)benzamide?

4-[4-[2-[4-[4-[6-amino-5-[(1R)-1-[5-fluoro-2-(triazol-2-yl)phenyl]ethoxy]-3-pyridinyl]pyrazol-1-yl]piperidin-1-yl]ethyl]piperidin-1-yl]-N-(2,6-dioxopiperidin-3-yl)benzamide has a molecular weight of 789.92 g/mol, XLogP of 4.87, 12 rotatable bonds, 3 hydrogen bond donors, and 13 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[4-[2-[4-[4-[6-amino-5-[(1R)-1-[5-fluoro-2-(triazol-2-yl)phenyl]ethoxy]-3-pyridinyl]pyrazol-1-yl]piperidin-1-yl]ethyl]piperidin-1-yl]-N-(2,6-dioxopiperidin-3-yl)benzamide is sourced from PubChem (CID 171094345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).