N-[2-[(1R,4R)-4-[[4-[1-(2,6-dioxopiperidin-3-yl)-3-methyl-2-oxobenzimidazol-4-yl]piperidin-1-yl]methyl]-3-[(2R,5R)-2-[[[1-[1-(2,6-dioxopiperidin-3-yl)-3-methyl-2-oxobenzimidazol-4-yl]piperidin-4-yl]-methylamino]methyl]-5-[6-(2-hydroxyethoxy)-5-[[6-(trifluoromethyl)pyridine-2-carbonyl]amino]indazol-2-yl]cyclohexyl]cyclohexyl]-6-methoxyindazol-5-yl]pyrimidine-5-carboxamide

C80H89F3N18O11 — CID 155449105

About N-[2-[(1R,4R)-4-[[4-[1-(2,6-dioxopiperidin-3-yl)-3-methyl-2-oxobenzimidazol-4-yl]piperidin-1-yl]methyl]-3-[(2R,5R)-2-[[[1-[1-(2,6-dioxopiperidin-3-yl)-3-methyl-2-oxobenzimidazol-4-yl]piperidin-4-yl]-methylamino]methyl]-5-[6-(2-hydroxyethoxy)-5-[[6-(trifluoromethyl)pyridine-2-carbonyl]amino]indazol-2-yl]cyclohexyl]cyclohexyl]-6-methoxyindazol-5-yl]pyrimidine-5-carboxamide

N-[2-[(1R,4R)-4-[[4-[1-(2,6-dioxopiperidin-3-yl)-3-methyl-2-oxobenzimidazol-4-yl]piperidin-1-yl]methyl]-3-[(2R,5R)-2-[[[1-[1-(2,6-dioxopiperidin-3-yl)-3-methyl-2-oxobenzimidazol-4-yl]piperidin-4-yl]-methylamino]methyl]-5-[6-(2-hydroxyethoxy)-5-[[6-(trifluoromethyl)pyridine-2-carbonyl]amino]indazol-2-yl]cyclohexyl]cyclohexyl]-6-methoxyindazol-5-yl]pyrimidine-5-carboxamide (PubChem CID 155449105) has the molecular formula C80H89F3N18O11 and a molecular weight of 1535.70 g/mol. Its IUPAC name is N-[2-[(1R,4R)-4-[[4-[1-(2,6-dioxopiperidin-3-yl)-3-methyl-2-oxobenzimidazol-4-yl]piperidin-1-yl]methyl]-3-[(2R,5R)-2-[[[1-[1-(2,6-dioxopiperidin-3-yl)-3-methyl-2-oxobenzimidazol-4-yl]piperidin-4-yl]-methylamino]methyl]-5-[6-(2-hydroxyethoxy)-5-[[6-(trifluoromethyl)pyridine-2-carbonyl]amino]indazol-2-yl]cyclohexyl]cyclohexyl]-6-methoxyindazol-5-yl]pyrimidine-5-carboxamide.

Molecular Properties

• Compound Name: N-[2-[(1R,4R)-4-[[4-[1-(2,6-dioxopiperidin-3-yl)-3-methyl-2-oxobenzimidazol-4-yl]piperidin-1-yl]methyl]-3-[(2R,5R)-2-[[[1-[1-(2,6-dioxopiperidin-3-yl)-3-methyl-2-oxobenzimidazol-4-yl]piperidin-4-yl]-methylamino]methyl]-5-[6-(2-hydroxyethoxy)-5-[[6-(trifluoromethyl)pyridine-2-carbonyl]amino]indazol-2-yl]cyclohexyl]cyclohexyl]-6-methoxyindazol-5-yl]pyrimidine-5-carboxamide
• PubChem CID: 155449105
• Molecular Formula: C80H89F3N18O11
• Molecular Weight: 1535.70 g/mol
• Exact Mass: 1534.69
• IUPAC Name: N-[2-[(1R,4R)-4-[[4-[1-(2,6-dioxopiperidin-3-yl)-3-methyl-2-oxobenzimidazol-4-yl]piperidin-1-yl]methyl]-3-[(2R,5R)-2-[[[1-[1-(2,6-dioxopiperidin-3-yl)-3-methyl-2-oxobenzimidazol-4-yl]piperidin-4-yl]-methylamino]methyl]-5-[6-(2-hydroxyethoxy)-5-[[6-(trifluoromethyl)pyridine-2-carbonyl]amino]indazol-2-yl]cyclohexyl]cyclohexyl]-6-methoxyindazol-5-yl]pyrimidine-5-carboxamide
• SMILES: COc1cc2nn([C@@H]3CC[C@@H](CN4CCC(c5cccc6c5n(C)c(=O)n6C5CCC(=O)NC5=O)CC4)C(C4C[C@H](n5cc6cc(NC(=O)c7cccc(C(F)(F)F)n7)c(OCCO)cc6n5)CC[C@H]4CN(C)C4CCN(c5cccc6c5n(C)c(=O)n6C5CCC(=O)NC5=O)CC4)C3)cc2cc1NC(=O)c1cncnc1
• InChI: InChI=1S/C80H89F3N18O11/c1-93(51-24-28-97(29-25-51)62-10-7-12-64-73(62)95(3)79(110)101(64)66-19-21-71(104)90-77(66)108)40-46-14-16-52(99-43-49-33-61(68(112-31-30-102)37-59(49)92-99)88-75(106)57-9-6-13-69(86-57)80(81,82)83)34-55(46)56-35-53(98-42-48-32-60(67(111-4)36-58(48)91-98)87-74(105)50-38-84-44-85-39-50)17-15-47(56)41-96-26-22-45(23-27-96)54-8-5-11-63-72(54)94(2)78(109)100(63)65-18-20-70(103)89-76(65)107/h5-13,32-33,36-39,42-47,51-53,55-56,65-66,102H,14-31,34-35,40-41H2,1-4H3,(H,87,105)(H,88,106)(H,89,103,107)(H,90,104,108)/t46-,47-,52+,53+,55?,56?,65?,66?/m0/s1
• InChIKey: JAPNOHCBZZHKIQ-QRZZDMLNSA-N
• XLogP: 8.83
• TPSA: 327.12 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 25
• Rotatable Bonds: 20
• Heavy Atoms: 112
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1535.70
LogP ≤ 5	8.83
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	25

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-[[4-[1-(2,6-dioxopiperidin-3-yl)-3-methyl-2-oxobenzimidazol-4-yl]piperidin-1-yl]methyl]-3-[(2R,5R)-2-[[[1-[1-(2,6-dioxopiperidin-3-yl)-3-methyl-2-oxobenzimidazol-4-yl]piperidin-4-yl]-methylamino]methyl]-5-[6-(2-hydroxyethoxy)-5-[[6-(trifluoromethyl)pyridine-2-carbonyl]amino]indazol-2-yl]cyclohexyl]cyclohexyl]-6-methoxyindazol-5-yl]pyrimidine-5-carboxamide?

The IUPAC name of N-[2-[(1R,4R)-4-[[4-[1-(2,6-dioxopiperidin-3-yl)-3-methyl-2-oxobenzimidazol-4-yl]piperidin-1-yl]methyl]-3-[(2R,5R)-2-[[[1-[1-(2,6-dioxopiperidin-3-yl)-3-methyl-2-oxobenzimidazol-4-yl]piperidin-4-yl]-methylamino]methyl]-5-[6-(2-hydroxyethoxy)-5-[[6-(trifluoromethyl)pyridine-2-carbonyl]amino]indazol-2-yl]cyclohexyl]cyclohexyl]-6-methoxyindazol-5-yl]pyrimidine-5-carboxamide (CID 155449105) is N-[2-[(1R,4R)-4-[[4-[1-(2,6-dioxopiperidin-3-yl)-3-methyl-2-oxobenzimidazol-4-yl]piperidin-1-yl]methyl]-3-[(2R,5R)-2-[[[1-[1-(2,6-dioxopiperidin-3-yl)-3-methyl-2-oxobenzimidazol-4-yl]piperidin-4-yl]-methylamino]methyl]-5-[6-(2-hydroxyethoxy)-5-[[6-(trifluoromethyl)pyridine-2-carbonyl]amino]indazol-2-yl]cyclohexyl]cyclohexyl]-6-methoxyindazol-5-yl]pyrimidine-5-carboxamide.

What is the SMILES notation for N-[2-[(1R,4R)-4-[[4-[1-(2,6-dioxopiperidin-3-yl)-3-methyl-2-oxobenzimidazol-4-yl]piperidin-1-yl]methyl]-3-[(2R,5R)-2-[[[1-[1-(2,6-dioxopiperidin-3-yl)-3-methyl-2-oxobenzimidazol-4-yl]piperidin-4-yl]-methylamino]methyl]-5-[6-(2-hydroxyethoxy)-5-[[6-(trifluoromethyl)pyridine-2-carbonyl]amino]indazol-2-yl]cyclohexyl]cyclohexyl]-6-methoxyindazol-5-yl]pyrimidine-5-carboxamide?

The canonical SMILES for N-[2-[(1R,4R)-4-[[4-[1-(2,6-dioxopiperidin-3-yl)-3-methyl-2-oxobenzimidazol-4-yl]piperidin-1-yl]methyl]-3-[(2R,5R)-2-[[[1-[1-(2,6-dioxopiperidin-3-yl)-3-methyl-2-oxobenzimidazol-4-yl]piperidin-4-yl]-methylamino]methyl]-5-[6-(2-hydroxyethoxy)-5-[[6-(trifluoromethyl)pyridine-2-carbonyl]amino]indazol-2-yl]cyclohexyl]cyclohexyl]-6-methoxyindazol-5-yl]pyrimidine-5-carboxamide is COc1cc2nn([C@@H]3CC[C@@H](CN4CCC(c5cccc6c5n(C)c(=O)n6C5CCC(=O)NC5=O)CC4)C(C4C[C@H](n5cc6cc(NC(=O)c7cccc(C(F)(F)F)n7)c(OCCO)cc6n5)CC[C@H]4CN(C)C4CCN(c5cccc6c5n(C)c(=O)n6C5CCC(=O)NC5=O)CC4)C3)cc2cc1NC(=O)c1cncnc1.

What is the InChIKey of N-[2-[(1R,4R)-4-[[4-[1-(2,6-dioxopiperidin-3-yl)-3-methyl-2-oxobenzimidazol-4-yl]piperidin-1-yl]methyl]-3-[(2R,5R)-2-[[[1-[1-(2,6-dioxopiperidin-3-yl)-3-methyl-2-oxobenzimidazol-4-yl]piperidin-4-yl]-methylamino]methyl]-5-[6-(2-hydroxyethoxy)-5-[[6-(trifluoromethyl)pyridine-2-carbonyl]amino]indazol-2-yl]cyclohexyl]cyclohexyl]-6-methoxyindazol-5-yl]pyrimidine-5-carboxamide?

The InChIKey is JAPNOHCBZZHKIQ-QRZZDMLNSA-N. The full InChI is InChI=1S/C80H89F3N18O11/c1-93(51-24-28-97(29-25-51)62-10-7-12-64-73(62)95(3)79(110)101(64)66-19-21-71(104)90-77(66)108)40-46-14-16-52(99-43-49-33-61(68(112-31-30-102)37-59(49)92-99)88-75(106)57-9-6-13-69(86-57)80(81,82)83)34-55(46)56-35-53(98-42-48-32-60(67(111-4)36-58(48)91-98)87-74(105)50-38-84-44-85-39-50)17-15-47(56)41-96-26-22-45(23-27-96)54-8-5-11-63-72(54)94(2)78(109)100(63)65-18-20-70(103)89-76(65)107/h5-13,32-33,36-39,42-47,51-53,55-56,65-66,102H,14-31,34-35,40-41H2,1-4H3,(H,87,105)(H,88,106)(H,89,103,107)(H,90,104,108)/t46-,47-,52+,53+,55?,56?,65?,66?/m0/s1.

What are the key properties of N-[2-[(1R,4R)-4-[[4-[1-(2,6-dioxopiperidin-3-yl)-3-methyl-2-oxobenzimidazol-4-yl]piperidin-1-yl]methyl]-3-[(2R,5R)-2-[[[1-[1-(2,6-dioxopiperidin-3-yl)-3-methyl-2-oxobenzimidazol-4-yl]piperidin-4-yl]-methylamino]methyl]-5-[6-(2-hydroxyethoxy)-5-[[6-(trifluoromethyl)pyridine-2-carbonyl]amino]indazol-2-yl]cyclohexyl]cyclohexyl]-6-methoxyindazol-5-yl]pyrimidine-5-carboxamide?

N-[2-[(1R,4R)-4-[[4-[1-(2,6-dioxopiperidin-3-yl)-3-methyl-2-oxobenzimidazol-4-yl]piperidin-1-yl]methyl]-3-[(2R,5R)-2-[[[1-[1-(2,6-dioxopiperidin-3-yl)-3-methyl-2-oxobenzimidazol-4-yl]piperidin-4-yl]-methylamino]methyl]-5-[6-(2-hydroxyethoxy)-5-[[6-(trifluoromethyl)pyridine-2-carbonyl]amino]indazol-2-yl]cyclohexyl]cyclohexyl]-6-methoxyindazol-5-yl]pyrimidine-5-carboxamide has a molecular weight of 1535.70 g/mol, XLogP of 8.83, 20 rotatable bonds, 5 hydrogen bond donors, and 25 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-[(1R,4R)-4-[[4-[1-(2,6-dioxopiperidin-3-yl)-3-methyl-2-oxobenzimidazol-4-yl]piperidin-1-yl]methyl]-3-[(2R,5R)-2-[[[1-[1-(2,6-dioxopiperidin-3-yl)-3-methyl-2-oxobenzimidazol-4-yl]piperidin-4-yl]-methylamino]methyl]-5-[6-(2-hydroxyethoxy)-5-[[6-(trifluoromethyl)pyridine-2-carbonyl]amino]indazol-2-yl]cyclohexyl]cyclohexyl]-6-methoxyindazol-5-yl]pyrimidine-5-carboxamide is sourced from PubChem (CID 155449105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).