3-[4-[4-[1-[[4-[6-[[4-[1-[4-[(2,6-dioxopiperidin-3-yl)amino]-2-(trifluoromethyl)phenyl]piperidin-4-yl]-1-[[2-fluoro-6-methoxy-4-(6-methyl-7-oxo-1H-pyrazolo[5,4-c]pyridin-4-yl)phenyl]methyl]piperidin-3-yl]methyl]-7-oxo-1H-pyrazolo[5,4-c]pyridin-4-yl]-2-(trifluoromethoxy)phenyl]methyl]piperidin-4-yl]piperidin-1-yl]-3-(trifluoromethyl)anilino]piperidine-2,6-dione

C74H78F10N14O8 — CID 166729789

About 3-[4-[4-[1-[[4-[6-[[4-[1-[4-[(2,6-dioxopiperidin-3-yl)amino]-2-(trifluoromethyl)phenyl]piperidin-4-yl]-1-[[2-fluoro-6-methoxy-4-(6-methyl-7-oxo-1H-pyrazolo[5,4-c]pyridin-4-yl)phenyl]methyl]piperidin-3-yl]methyl]-7-oxo-1H-pyrazolo[5,4-c]pyridin-4-yl]-2-(trifluoromethoxy)phenyl]methyl]piperidin-4-yl]piperidin-1-yl]-3-(trifluoromethyl)anilino]piperidine-2,6-dione

3-[4-[4-[1-[[4-[6-[[4-[1-[4-[(2,6-dioxopiperidin-3-yl)amino]-2-(trifluoromethyl)phenyl]piperidin-4-yl]-1-[[2-fluoro-6-methoxy-4-(6-methyl-7-oxo-1H-pyrazolo[5,4-c]pyridin-4-yl)phenyl]methyl]piperidin-3-yl]methyl]-7-oxo-1H-pyrazolo[5,4-c]pyridin-4-yl]-2-(trifluoromethoxy)phenyl]methyl]piperidin-4-yl]piperidin-1-yl]-3-(trifluoromethyl)anilino]piperidine-2,6-dione (PubChem CID 166729789) has the molecular formula C74H78F10N14O8 and a molecular weight of 1481.51 g/mol. Its IUPAC name is 3-[4-[4-[1-[[4-[6-[[4-[1-[4-[(2,6-dioxopiperidin-3-yl)amino]-2-(trifluoromethyl)phenyl]piperidin-4-yl]-1-[[2-fluoro-6-methoxy-4-(6-methyl-7-oxo-1H-pyrazolo[5,4-c]pyridin-4-yl)phenyl]methyl]piperidin-3-yl]methyl]-7-oxo-1H-pyrazolo[5,4-c]pyridin-4-yl]-2-(trifluoromethoxy)phenyl]methyl]piperidin-4-yl]piperidin-1-yl]-3-(trifluoromethyl)anilino]piperidine-2,6-dione.

Molecular Properties

• Compound Name: 3-[4-[4-[1-[[4-[6-[[4-[1-[4-[(2,6-dioxopiperidin-3-yl)amino]-2-(trifluoromethyl)phenyl]piperidin-4-yl]-1-[[2-fluoro-6-methoxy-4-(6-methyl-7-oxo-1H-pyrazolo[5,4-c]pyridin-4-yl)phenyl]methyl]piperidin-3-yl]methyl]-7-oxo-1H-pyrazolo[5,4-c]pyridin-4-yl]-2-(trifluoromethoxy)phenyl]methyl]piperidin-4-yl]piperidin-1-yl]-3-(trifluoromethyl)anilino]piperidine-2,6-dione
• PubChem CID: 166729789
• Molecular Formula: C74H78F10N14O8
• Molecular Weight: 1481.51 g/mol
• Exact Mass: 1480.60
• IUPAC Name: 3-[4-[4-[1-[[4-[6-[[4-[1-[4-[(2,6-dioxopiperidin-3-yl)amino]-2-(trifluoromethyl)phenyl]piperidin-4-yl]-1-[[2-fluoro-6-methoxy-4-(6-methyl-7-oxo-1H-pyrazolo[5,4-c]pyridin-4-yl)phenyl]methyl]piperidin-3-yl]methyl]-7-oxo-1H-pyrazolo[5,4-c]pyridin-4-yl]-2-(trifluoromethoxy)phenyl]methyl]piperidin-4-yl]piperidin-1-yl]-3-(trifluoromethyl)anilino]piperidine-2,6-dione
• SMILES: COc1cc(-c2cn(C)c(=O)c3[nH]ncc23)cc(F)c1CN1CCC(C2CCN(c3ccc(NC4CCC(=O)NC4=O)cc3C(F)(F)F)CC2)C(Cn2cc(-c3ccc(CN4CCC(C5CCN(c6ccc(NC7CCC(=O)NC7=O)cc6C(F)(F)F)CC5)CC4)c(OC(F)(F)F)c3)c3cn[nH]c3c2=O)C1
• InChI: InChI=1S/C74H78F10N14O8/c1-93-37-52(50-32-85-91-66(50)70(93)103)45-27-57(75)54(63(29-45)105-2)38-95-22-19-49(42-17-25-97(26-18-42)61-10-6-48(31-56(61)73(79,80)81)88-59-8-12-65(100)90-69(59)102)46(35-95)36-98-39-53(51-33-86-92-67(51)71(98)104)43-3-4-44(62(28-43)106-74(82,83)84)34-94-20-13-40(14-21-94)41-15-23-96(24-16-41)60-9-5-47(30-55(60)72(76,77)78)87-58-7-11-64(99)89-68(58)101/h3-6,9-10,27-33,37,39-42,46,49,58-59,87-88H,7-8,11-26,34-36,38H2,1-2H3,(H,85,91)(H,86,92)(H,89,99,101)(H,90,100,102)
• InChIKey: YXAPQNYLPQADDM-UHFFFAOYSA-N
• XLogP: 11.34
• TPSA: 249.18 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 18
• Rotatable Bonds: 18
• Heavy Atoms: 106
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1481.51
LogP ≤ 5	11.34
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	18

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 3-[4-[4-[1-[[4-[6-[[4-[1-[4-[(2,6-dioxopiperidin-3-yl)amino]-2-(trifluoromethyl)phenyl]piperidin-4-yl]-1-[[2-fluoro-6-methoxy-4-(6-methyl-7-oxo-1H-pyrazolo[5,4-c]pyridin-4-yl)phenyl]methyl]piperidin-3-yl]methyl]-7-oxo-1H-pyrazolo[5,4-c]pyridin-4-yl]-2-(trifluoromethoxy)phenyl]methyl]piperidin-4-yl]piperidin-1-yl]-3-(trifluoromethyl)anilino]piperidine-2,6-dione?

The IUPAC name of 3-[4-[4-[1-[[4-[6-[[4-[1-[4-[(2,6-dioxopiperidin-3-yl)amino]-2-(trifluoromethyl)phenyl]piperidin-4-yl]-1-[[2-fluoro-6-methoxy-4-(6-methyl-7-oxo-1H-pyrazolo[5,4-c]pyridin-4-yl)phenyl]methyl]piperidin-3-yl]methyl]-7-oxo-1H-pyrazolo[5,4-c]pyridin-4-yl]-2-(trifluoromethoxy)phenyl]methyl]piperidin-4-yl]piperidin-1-yl]-3-(trifluoromethyl)anilino]piperidine-2,6-dione (CID 166729789) is 3-[4-[4-[1-[[4-[6-[[4-[1-[4-[(2,6-dioxopiperidin-3-yl)amino]-2-(trifluoromethyl)phenyl]piperidin-4-yl]-1-[[2-fluoro-6-methoxy-4-(6-methyl-7-oxo-1H-pyrazolo[5,4-c]pyridin-4-yl)phenyl]methyl]piperidin-3-yl]methyl]-7-oxo-1H-pyrazolo[5,4-c]pyridin-4-yl]-2-(trifluoromethoxy)phenyl]methyl]piperidin-4-yl]piperidin-1-yl]-3-(trifluoromethyl)anilino]piperidine-2,6-dione.

What is the SMILES notation for 3-[4-[4-[1-[[4-[6-[[4-[1-[4-[(2,6-dioxopiperidin-3-yl)amino]-2-(trifluoromethyl)phenyl]piperidin-4-yl]-1-[[2-fluoro-6-methoxy-4-(6-methyl-7-oxo-1H-pyrazolo[5,4-c]pyridin-4-yl)phenyl]methyl]piperidin-3-yl]methyl]-7-oxo-1H-pyrazolo[5,4-c]pyridin-4-yl]-2-(trifluoromethoxy)phenyl]methyl]piperidin-4-yl]piperidin-1-yl]-3-(trifluoromethyl)anilino]piperidine-2,6-dione?

The canonical SMILES for 3-[4-[4-[1-[[4-[6-[[4-[1-[4-[(2,6-dioxopiperidin-3-yl)amino]-2-(trifluoromethyl)phenyl]piperidin-4-yl]-1-[[2-fluoro-6-methoxy-4-(6-methyl-7-oxo-1H-pyrazolo[5,4-c]pyridin-4-yl)phenyl]methyl]piperidin-3-yl]methyl]-7-oxo-1H-pyrazolo[5,4-c]pyridin-4-yl]-2-(trifluoromethoxy)phenyl]methyl]piperidin-4-yl]piperidin-1-yl]-3-(trifluoromethyl)anilino]piperidine-2,6-dione is COc1cc(-c2cn(C)c(=O)c3[nH]ncc23)cc(F)c1CN1CCC(C2CCN(c3ccc(NC4CCC(=O)NC4=O)cc3C(F)(F)F)CC2)C(Cn2cc(-c3ccc(CN4CCC(C5CCN(c6ccc(NC7CCC(=O)NC7=O)cc6C(F)(F)F)CC5)CC4)c(OC(F)(F)F)c3)c3cn[nH]c3c2=O)C1.

What is the InChIKey of 3-[4-[4-[1-[[4-[6-[[4-[1-[4-[(2,6-dioxopiperidin-3-yl)amino]-2-(trifluoromethyl)phenyl]piperidin-4-yl]-1-[[2-fluoro-6-methoxy-4-(6-methyl-7-oxo-1H-pyrazolo[5,4-c]pyridin-4-yl)phenyl]methyl]piperidin-3-yl]methyl]-7-oxo-1H-pyrazolo[5,4-c]pyridin-4-yl]-2-(trifluoromethoxy)phenyl]methyl]piperidin-4-yl]piperidin-1-yl]-3-(trifluoromethyl)anilino]piperidine-2,6-dione?

The InChIKey is YXAPQNYLPQADDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C74H78F10N14O8/c1-93-37-52(50-32-85-91-66(50)70(93)103)45-27-57(75)54(63(29-45)105-2)38-95-22-19-49(42-17-25-97(26-18-42)61-10-6-48(31-56(61)73(79,80)81)88-59-8-12-65(100)90-69(59)102)46(35-95)36-98-39-53(51-33-86-92-67(51)71(98)104)43-3-4-44(62(28-43)106-74(82,83)84)34-94-20-13-40(14-21-94)41-15-23-96(24-16-41)60-9-5-47(30-55(60)72(76,77)78)87-58-7-11-64(99)89-68(58)101/h3-6,9-10,27-33,37,39-42,46,49,58-59,87-88H,7-8,11-26,34-36,38H2,1-2H3,(H,85,91)(H,86,92)(H,89,99,101)(H,90,100,102).

What are the key properties of 3-[4-[4-[1-[[4-[6-[[4-[1-[4-[(2,6-dioxopiperidin-3-yl)amino]-2-(trifluoromethyl)phenyl]piperidin-4-yl]-1-[[2-fluoro-6-methoxy-4-(6-methyl-7-oxo-1H-pyrazolo[5,4-c]pyridin-4-yl)phenyl]methyl]piperidin-3-yl]methyl]-7-oxo-1H-pyrazolo[5,4-c]pyridin-4-yl]-2-(trifluoromethoxy)phenyl]methyl]piperidin-4-yl]piperidin-1-yl]-3-(trifluoromethyl)anilino]piperidine-2,6-dione?

3-[4-[4-[1-[[4-[6-[[4-[1-[4-[(2,6-dioxopiperidin-3-yl)amino]-2-(trifluoromethyl)phenyl]piperidin-4-yl]-1-[[2-fluoro-6-methoxy-4-(6-methyl-7-oxo-1H-pyrazolo[5,4-c]pyridin-4-yl)phenyl]methyl]piperidin-3-yl]methyl]-7-oxo-1H-pyrazolo[5,4-c]pyridin-4-yl]-2-(trifluoromethoxy)phenyl]methyl]piperidin-4-yl]piperidin-1-yl]-3-(trifluoromethyl)anilino]piperidine-2,6-dione has a molecular weight of 1481.51 g/mol, XLogP of 11.34, 18 rotatable bonds, 6 hydrogen bond donors, and 18 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[4-[4-[1-[[4-[6-[[4-[1-[4-[(2,6-dioxopiperidin-3-yl)amino]-2-(trifluoromethyl)phenyl]piperidin-4-yl]-1-[[2-fluoro-6-methoxy-4-(6-methyl-7-oxo-1H-pyrazolo[5,4-c]pyridin-4-yl)phenyl]methyl]piperidin-3-yl]methyl]-7-oxo-1H-pyrazolo[5,4-c]pyridin-4-yl]-2-(trifluoromethoxy)phenyl]methyl]piperidin-4-yl]piperidin-1-yl]-3-(trifluoromethyl)anilino]piperidine-2,6-dione is sourced from PubChem (CID 166729789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).