N-[2-[(1R,4R)-4-[[3-[1-(2,6-dioxopiperidin-3-yl)-3-methyl-2-oxobenzimidazol-4-yl]-3,6-diazabicyclo[3.1.1]heptan-6-yl]methyl]-3-[(2R,5R)-2-[[4-[1-(2,6-dioxopiperidin-3-yl)-3-methyl-2-oxobenzimidazol-4-yl]piperazin-1-yl]methyl]-5-[6-propan-2-yl-5-[[6-(trifluoromethyl)pyridine-2-carbonyl]amino]indazol-2-yl]cyclohexyl]cyclohexyl]-6-methylindazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide

C81H86F6N18O8 — CID 167156731

About N-[2-[(1R,4R)-4-[[3-[1-(2,6-dioxopiperidin-3-yl)-3-methyl-2-oxobenzimidazol-4-yl]-3,6-diazabicyclo[3.1.1]heptan-6-yl]methyl]-3-[(2R,5R)-2-[[4-[1-(2,6-dioxopiperidin-3-yl)-3-methyl-2-oxobenzimidazol-4-yl]piperazin-1-yl]methyl]-5-[6-propan-2-yl-5-[[6-(trifluoromethyl)pyridine-2-carbonyl]amino]indazol-2-yl]cyclohexyl]cyclohexyl]-6-methylindazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide

N-[2-[(1R,4R)-4-[[3-[1-(2,6-dioxopiperidin-3-yl)-3-methyl-2-oxobenzimidazol-4-yl]-3,6-diazabicyclo[3.1.1]heptan-6-yl]methyl]-3-[(2R,5R)-2-[[4-[1-(2,6-dioxopiperidin-3-yl)-3-methyl-2-oxobenzimidazol-4-yl]piperazin-1-yl]methyl]-5-[6-propan-2-yl-5-[[6-(trifluoromethyl)pyridine-2-carbonyl]amino]indazol-2-yl]cyclohexyl]cyclohexyl]-6-methylindazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide (PubChem CID 167156731) has the molecular formula C81H86F6N18O8 and a molecular weight of 1553.68 g/mol. Its IUPAC name is N-[2-[(1R,4R)-4-[[3-[1-(2,6-dioxopiperidin-3-yl)-3-methyl-2-oxobenzimidazol-4-yl]-3,6-diazabicyclo[3.1.1]heptan-6-yl]methyl]-3-[(2R,5R)-2-[[4-[1-(2,6-dioxopiperidin-3-yl)-3-methyl-2-oxobenzimidazol-4-yl]piperazin-1-yl]methyl]-5-[6-propan-2-yl-5-[[6-(trifluoromethyl)pyridine-2-carbonyl]amino]indazol-2-yl]cyclohexyl]cyclohexyl]-6-methylindazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide.

Molecular Properties

• Compound Name: N-[2-[(1R,4R)-4-[[3-[1-(2,6-dioxopiperidin-3-yl)-3-methyl-2-oxobenzimidazol-4-yl]-3,6-diazabicyclo[3.1.1]heptan-6-yl]methyl]-3-[(2R,5R)-2-[[4-[1-(2,6-dioxopiperidin-3-yl)-3-methyl-2-oxobenzimidazol-4-yl]piperazin-1-yl]methyl]-5-[6-propan-2-yl-5-[[6-(trifluoromethyl)pyridine-2-carbonyl]amino]indazol-2-yl]cyclohexyl]cyclohexyl]-6-methylindazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide
• PubChem CID: 167156731
• Molecular Formula: C81H86F6N18O8
• Molecular Weight: 1553.68 g/mol
• Exact Mass: 1552.68
• IUPAC Name: N-[2-[(1R,4R)-4-[[3-[1-(2,6-dioxopiperidin-3-yl)-3-methyl-2-oxobenzimidazol-4-yl]-3,6-diazabicyclo[3.1.1]heptan-6-yl]methyl]-3-[(2R,5R)-2-[[4-[1-(2,6-dioxopiperidin-3-yl)-3-methyl-2-oxobenzimidazol-4-yl]piperazin-1-yl]methyl]-5-[6-propan-2-yl-5-[[6-(trifluoromethyl)pyridine-2-carbonyl]amino]indazol-2-yl]cyclohexyl]cyclohexyl]-6-methylindazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide
• SMILES: Cc1cc2nn([C@@H]3CC[C@@H](CN4C5CC4CN(c4cccc6c4n(C)c(=O)n6C4CCC(=O)NC4=O)C5)C(C4C[C@H](n5cc6cc(NC(=O)c7cccc(C(F)(F)F)n7)c(C(C)C)cc6n5)CC[C@H]4CN4CCN(c5cccc6c5n(C)c(=O)n6C5CCC(=O)NC5=O)CC4)C3)cc2cc1NC(=O)c1cccc(C(F)(F)F)n1
• InChI: InChI=1S/C81H86F6N18O8/c1-43(2)53-36-60-48(32-61(53)91-75(109)57-11-7-17-69(89-57)81(85,86)87)40-103(95-60)49-20-18-45(37-98-26-28-99(29-27-98)62-12-8-14-64-72(62)96(4)78(112)104(64)66-22-24-70(106)92-76(66)110)54(34-49)55-35-50(102-39-47-31-58(44(3)30-59(47)94-102)90-74(108)56-10-6-16-68(88-56)80(82,83)84)21-19-46(55)38-101-51-33-52(101)42-100(41-51)63-13-9-15-65-73(63)97(5)79(113)105(65)67-23-25-71(107)93-77(67)111/h6-17,30-32,36,39-40,43,45-46,49-52,54-55,66-67H,18-29,33-35,37-38,41-42H2,1-5H3,(H,90,108)(H,91,109)(H,92,106,110)(H,93,107,111)/t45-,46-,49+,50+,51?,52?,54?,55?,66?,67?/m0/s1
• InChIKey: IGQOKNQUWFFANO-XHTGHPNVSA-N
• XLogP: 10.81
• TPSA: 278.78 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 22
• Rotatable Bonds: 16
• Heavy Atoms: 113
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1553.68
LogP ≤ 5	10.81
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	22

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-[2-[(1R,4R)-4-[[3-[1-(2,6-dioxopiperidin-3-yl)-3-methyl-2-oxobenzimidazol-4-yl]-3,6-diazabicyclo[3.1.1]heptan-6-yl]methyl]-3-[(2R,5R)-2-[[4-[1-(2,6-dioxopiperidin-3-yl)-3-methyl-2-oxobenzimidazol-4-yl]piperazin-1-yl]methyl]-5-[6-propan-2-yl-5-[[6-(trifluoromethyl)pyridine-2-carbonyl]amino]indazol-2-yl]cyclohexyl]cyclohexyl]-6-methylindazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide?

The IUPAC name of N-[2-[(1R,4R)-4-[[3-[1-(2,6-dioxopiperidin-3-yl)-3-methyl-2-oxobenzimidazol-4-yl]-3,6-diazabicyclo[3.1.1]heptan-6-yl]methyl]-3-[(2R,5R)-2-[[4-[1-(2,6-dioxopiperidin-3-yl)-3-methyl-2-oxobenzimidazol-4-yl]piperazin-1-yl]methyl]-5-[6-propan-2-yl-5-[[6-(trifluoromethyl)pyridine-2-carbonyl]amino]indazol-2-yl]cyclohexyl]cyclohexyl]-6-methylindazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide (CID 167156731) is N-[2-[(1R,4R)-4-[[3-[1-(2,6-dioxopiperidin-3-yl)-3-methyl-2-oxobenzimidazol-4-yl]-3,6-diazabicyclo[3.1.1]heptan-6-yl]methyl]-3-[(2R,5R)-2-[[4-[1-(2,6-dioxopiperidin-3-yl)-3-methyl-2-oxobenzimidazol-4-yl]piperazin-1-yl]methyl]-5-[6-propan-2-yl-5-[[6-(trifluoromethyl)pyridine-2-carbonyl]amino]indazol-2-yl]cyclohexyl]cyclohexyl]-6-methylindazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide.

What is the SMILES notation for N-[2-[(1R,4R)-4-[[3-[1-(2,6-dioxopiperidin-3-yl)-3-methyl-2-oxobenzimidazol-4-yl]-3,6-diazabicyclo[3.1.1]heptan-6-yl]methyl]-3-[(2R,5R)-2-[[4-[1-(2,6-dioxopiperidin-3-yl)-3-methyl-2-oxobenzimidazol-4-yl]piperazin-1-yl]methyl]-5-[6-propan-2-yl-5-[[6-(trifluoromethyl)pyridine-2-carbonyl]amino]indazol-2-yl]cyclohexyl]cyclohexyl]-6-methylindazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide?

The canonical SMILES for N-[2-[(1R,4R)-4-[[3-[1-(2,6-dioxopiperidin-3-yl)-3-methyl-2-oxobenzimidazol-4-yl]-3,6-diazabicyclo[3.1.1]heptan-6-yl]methyl]-3-[(2R,5R)-2-[[4-[1-(2,6-dioxopiperidin-3-yl)-3-methyl-2-oxobenzimidazol-4-yl]piperazin-1-yl]methyl]-5-[6-propan-2-yl-5-[[6-(trifluoromethyl)pyridine-2-carbonyl]amino]indazol-2-yl]cyclohexyl]cyclohexyl]-6-methylindazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide is Cc1cc2nn([C@@H]3CC[C@@H](CN4C5CC4CN(c4cccc6c4n(C)c(=O)n6C4CCC(=O)NC4=O)C5)C(C4C[C@H](n5cc6cc(NC(=O)c7cccc(C(F)(F)F)n7)c(C(C)C)cc6n5)CC[C@H]4CN4CCN(c5cccc6c5n(C)c(=O)n6C5CCC(=O)NC5=O)CC4)C3)cc2cc1NC(=O)c1cccc(C(F)(F)F)n1.

What is the InChIKey of N-[2-[(1R,4R)-4-[[3-[1-(2,6-dioxopiperidin-3-yl)-3-methyl-2-oxobenzimidazol-4-yl]-3,6-diazabicyclo[3.1.1]heptan-6-yl]methyl]-3-[(2R,5R)-2-[[4-[1-(2,6-dioxopiperidin-3-yl)-3-methyl-2-oxobenzimidazol-4-yl]piperazin-1-yl]methyl]-5-[6-propan-2-yl-5-[[6-(trifluoromethyl)pyridine-2-carbonyl]amino]indazol-2-yl]cyclohexyl]cyclohexyl]-6-methylindazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide?

The InChIKey is IGQOKNQUWFFANO-XHTGHPNVSA-N. The full InChI is InChI=1S/C81H86F6N18O8/c1-43(2)53-36-60-48(32-61(53)91-75(109)57-11-7-17-69(89-57)81(85,86)87)40-103(95-60)49-20-18-45(37-98-26-28-99(29-27-98)62-12-8-14-64-72(62)96(4)78(112)104(64)66-22-24-70(106)92-76(66)110)54(34-49)55-35-50(102-39-47-31-58(44(3)30-59(47)94-102)90-74(108)56-10-6-16-68(88-56)80(82,83)84)21-19-46(55)38-101-51-33-52(101)42-100(41-51)63-13-9-15-65-73(63)97(5)79(113)105(65)67-23-25-71(107)93-77(67)111/h6-17,30-32,36,39-40,43,45-46,49-52,54-55,66-67H,18-29,33-35,37-38,41-42H2,1-5H3,(H,90,108)(H,91,109)(H,92,106,110)(H,93,107,111)/t45-,46-,49+,50+,51?,52?,54?,55?,66?,67?/m0/s1.

What are the key properties of N-[2-[(1R,4R)-4-[[3-[1-(2,6-dioxopiperidin-3-yl)-3-methyl-2-oxobenzimidazol-4-yl]-3,6-diazabicyclo[3.1.1]heptan-6-yl]methyl]-3-[(2R,5R)-2-[[4-[1-(2,6-dioxopiperidin-3-yl)-3-methyl-2-oxobenzimidazol-4-yl]piperazin-1-yl]methyl]-5-[6-propan-2-yl-5-[[6-(trifluoromethyl)pyridine-2-carbonyl]amino]indazol-2-yl]cyclohexyl]cyclohexyl]-6-methylindazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide?

N-[2-[(1R,4R)-4-[[3-[1-(2,6-dioxopiperidin-3-yl)-3-methyl-2-oxobenzimidazol-4-yl]-3,6-diazabicyclo[3.1.1]heptan-6-yl]methyl]-3-[(2R,5R)-2-[[4-[1-(2,6-dioxopiperidin-3-yl)-3-methyl-2-oxobenzimidazol-4-yl]piperazin-1-yl]methyl]-5-[6-propan-2-yl-5-[[6-(trifluoromethyl)pyridine-2-carbonyl]amino]indazol-2-yl]cyclohexyl]cyclohexyl]-6-methylindazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide has a molecular weight of 1553.68 g/mol, XLogP of 10.81, 16 rotatable bonds, 4 hydrogen bond donors, and 22 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-[(1R,4R)-4-[[3-[1-(2,6-dioxopiperidin-3-yl)-3-methyl-2-oxobenzimidazol-4-yl]-3,6-diazabicyclo[3.1.1]heptan-6-yl]methyl]-3-[(2R,5R)-2-[[4-[1-(2,6-dioxopiperidin-3-yl)-3-methyl-2-oxobenzimidazol-4-yl]piperazin-1-yl]methyl]-5-[6-propan-2-yl-5-[[6-(trifluoromethyl)pyridine-2-carbonyl]amino]indazol-2-yl]cyclohexyl]cyclohexyl]-6-methylindazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide is sourced from PubChem (CID 167156731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).