6-tert-butyl-N-[2-[4-[[[1-[[1-(2,6-dioxopiperidin-3-yl)-3-methyl-2-oxobenzimidazol-4-yl]methyl]piperidin-4-yl]-methylamino]methyl]cyclohexyl]-6-(2-hydroxypropan-2-yl)indazol-5-yl]pyridine-2-carboxamide

C47H61N9O5 — CID 167375568

About 6-tert-butyl-N-[2-[4-[[[1-[[1-(2,6-dioxopiperidin-3-yl)-3-methyl-2-oxobenzimidazol-4-yl]methyl]piperidin-4-yl]-methylamino]methyl]cyclohexyl]-6-(2-hydroxypropan-2-yl)indazol-5-yl]pyridine-2-carboxamide

6-tert-butyl-N-[2-[4-[[[1-[[1-(2,6-dioxopiperidin-3-yl)-3-methyl-2-oxobenzimidazol-4-yl]methyl]piperidin-4-yl]-methylamino]methyl]cyclohexyl]-6-(2-hydroxypropan-2-yl)indazol-5-yl]pyridine-2-carboxamide (PubChem CID 167375568) has the molecular formula C47H61N9O5 and a molecular weight of 832.06 g/mol. Its IUPAC name is 6-tert-butyl-N-[2-[4-[[[1-[[1-(2,6-dioxopiperidin-3-yl)-3-methyl-2-oxobenzimidazol-4-yl]methyl]piperidin-4-yl]-methylamino]methyl]cyclohexyl]-6-(2-hydroxypropan-2-yl)indazol-5-yl]pyridine-2-carboxamide.

Molecular Properties

• Compound Name: 6-tert-butyl-N-[2-[4-[[[1-[[1-(2,6-dioxopiperidin-3-yl)-3-methyl-2-oxobenzimidazol-4-yl]methyl]piperidin-4-yl]-methylamino]methyl]cyclohexyl]-6-(2-hydroxypropan-2-yl)indazol-5-yl]pyridine-2-carboxamide
• PubChem CID: 167375568
• Molecular Formula: C47H61N9O5
• Molecular Weight: 832.06 g/mol
• Exact Mass: 831.48
• IUPAC Name: 6-tert-butyl-N-[2-[4-[[[1-[[1-(2,6-dioxopiperidin-3-yl)-3-methyl-2-oxobenzimidazol-4-yl]methyl]piperidin-4-yl]-methylamino]methyl]cyclohexyl]-6-(2-hydroxypropan-2-yl)indazol-5-yl]pyridine-2-carboxamide
• SMILES: CN(CC1CCC(n2cc3cc(NC(=O)c4cccc(C(C)(C)C)n4)c(C(C)(C)O)cc3n2)CC1)C1CCN(Cc2cccc3c2n(C)c(=O)n3C2CCC(=O)NC2=O)CC1
• InChI: InChI=1S/C47H61N9O5/c1-46(2,3)40-13-9-11-35(48-40)43(58)49-37-24-31-28-55(51-36(31)25-34(37)47(4,5)61)33-16-14-29(15-17-33)26-52(6)32-20-22-54(23-21-32)27-30-10-8-12-38-42(30)53(7)45(60)56(38)39-18-19-41(57)50-44(39)59/h8-13,24-25,28-29,32-33,39,61H,14-23,26-27H2,1-7H3,(H,49,58)(H,50,57,59)
• InChIKey: OBQPRUOAWZDLSY-UHFFFAOYSA-N
• XLogP: 6.17
• TPSA: 159.62 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 12
• Rotatable Bonds: 10
• Heavy Atoms: 61
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	832.06
LogP ≤ 5	6.17
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	12

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 6-tert-butyl-N-[2-[4-[[[1-[[1-(2,6-dioxopiperidin-3-yl)-3-methyl-2-oxobenzimidazol-4-yl]methyl]piperidin-4-yl]-methylamino]methyl]cyclohexyl]-6-(2-hydroxypropan-2-yl)indazol-5-yl]pyridine-2-carboxamide?

The IUPAC name of 6-tert-butyl-N-[2-[4-[[[1-[[1-(2,6-dioxopiperidin-3-yl)-3-methyl-2-oxobenzimidazol-4-yl]methyl]piperidin-4-yl]-methylamino]methyl]cyclohexyl]-6-(2-hydroxypropan-2-yl)indazol-5-yl]pyridine-2-carboxamide (CID 167375568) is 6-tert-butyl-N-[2-[4-[[[1-[[1-(2,6-dioxopiperidin-3-yl)-3-methyl-2-oxobenzimidazol-4-yl]methyl]piperidin-4-yl]-methylamino]methyl]cyclohexyl]-6-(2-hydroxypropan-2-yl)indazol-5-yl]pyridine-2-carboxamide.

What is the SMILES notation for 6-tert-butyl-N-[2-[4-[[[1-[[1-(2,6-dioxopiperidin-3-yl)-3-methyl-2-oxobenzimidazol-4-yl]methyl]piperidin-4-yl]-methylamino]methyl]cyclohexyl]-6-(2-hydroxypropan-2-yl)indazol-5-yl]pyridine-2-carboxamide?

The canonical SMILES for 6-tert-butyl-N-[2-[4-[[[1-[[1-(2,6-dioxopiperidin-3-yl)-3-methyl-2-oxobenzimidazol-4-yl]methyl]piperidin-4-yl]-methylamino]methyl]cyclohexyl]-6-(2-hydroxypropan-2-yl)indazol-5-yl]pyridine-2-carboxamide is CN(CC1CCC(n2cc3cc(NC(=O)c4cccc(C(C)(C)C)n4)c(C(C)(C)O)cc3n2)CC1)C1CCN(Cc2cccc3c2n(C)c(=O)n3C2CCC(=O)NC2=O)CC1.

What is the InChIKey of 6-tert-butyl-N-[2-[4-[[[1-[[1-(2,6-dioxopiperidin-3-yl)-3-methyl-2-oxobenzimidazol-4-yl]methyl]piperidin-4-yl]-methylamino]methyl]cyclohexyl]-6-(2-hydroxypropan-2-yl)indazol-5-yl]pyridine-2-carboxamide?

The InChIKey is OBQPRUOAWZDLSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C47H61N9O5/c1-46(2,3)40-13-9-11-35(48-40)43(58)49-37-24-31-28-55(51-36(31)25-34(37)47(4,5)61)33-16-14-29(15-17-33)26-52(6)32-20-22-54(23-21-32)27-30-10-8-12-38-42(30)53(7)45(60)56(38)39-18-19-41(57)50-44(39)59/h8-13,24-25,28-29,32-33,39,61H,14-23,26-27H2,1-7H3,(H,49,58)(H,50,57,59).

What are the key properties of 6-tert-butyl-N-[2-[4-[[[1-[[1-(2,6-dioxopiperidin-3-yl)-3-methyl-2-oxobenzimidazol-4-yl]methyl]piperidin-4-yl]-methylamino]methyl]cyclohexyl]-6-(2-hydroxypropan-2-yl)indazol-5-yl]pyridine-2-carboxamide?

6-tert-butyl-N-[2-[4-[[[1-[[1-(2,6-dioxopiperidin-3-yl)-3-methyl-2-oxobenzimidazol-4-yl]methyl]piperidin-4-yl]-methylamino]methyl]cyclohexyl]-6-(2-hydroxypropan-2-yl)indazol-5-yl]pyridine-2-carboxamide has a molecular weight of 832.06 g/mol, XLogP of 6.17, 10 rotatable bonds, 3 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for 6-tert-butyl-N-[2-[4-[[[1-[[1-(2,6-dioxopiperidin-3-yl)-3-methyl-2-oxobenzimidazol-4-yl]methyl]piperidin-4-yl]-methylamino]methyl]cyclohexyl]-6-(2-hydroxypropan-2-yl)indazol-5-yl]pyridine-2-carboxamide is sourced from PubChem (CID 167375568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).