5-[4-[[4-[1-[[2-(6,6-dimethyl-1,4,5,7-tetrahydroindazol-3-yl)-1H-indol-6-yl]-methylamino]-1-oxopropan-2-yl]piperazin-1-yl]methyl]piperidin-1-yl]-N-(2,6-dioxopiperidin-3-yl)pyridine-2-carboxamide

C42H54N10O4 — CID 167190673

About 5-[4-[[4-[1-[[2-(6,6-dimethyl-1,4,5,7-tetrahydroindazol-3-yl)-1H-indol-6-yl]-methylamino]-1-oxopropan-2-yl]piperazin-1-yl]methyl]piperidin-1-yl]-N-(2,6-dioxopiperidin-3-yl)pyridine-2-carboxamide

5-[4-[[4-[1-[[2-(6,6-dimethyl-1,4,5,7-tetrahydroindazol-3-yl)-1H-indol-6-yl]-methylamino]-1-oxopropan-2-yl]piperazin-1-yl]methyl]piperidin-1-yl]-N-(2,6-dioxopiperidin-3-yl)pyridine-2-carboxamide (PubChem CID 167190673) has the molecular formula C42H54N10O4 and a molecular weight of 762.96 g/mol. Its IUPAC name is 5-[4-[[4-[1-[[2-(6,6-dimethyl-1,4,5,7-tetrahydroindazol-3-yl)-1H-indol-6-yl]-methylamino]-1-oxopropan-2-yl]piperazin-1-yl]methyl]piperidin-1-yl]-N-(2,6-dioxopiperidin-3-yl)pyridine-2-carboxamide.

Molecular Properties

• Compound Name: 5-[4-[[4-[1-[[2-(6,6-dimethyl-1,4,5,7-tetrahydroindazol-3-yl)-1H-indol-6-yl]-methylamino]-1-oxopropan-2-yl]piperazin-1-yl]methyl]piperidin-1-yl]-N-(2,6-dioxopiperidin-3-yl)pyridine-2-carboxamide
• PubChem CID: 167190673
• Molecular Formula: C42H54N10O4
• Molecular Weight: 762.96 g/mol
• Exact Mass: 762.43
• IUPAC Name: 5-[4-[[4-[1-[[2-(6,6-dimethyl-1,4,5,7-tetrahydroindazol-3-yl)-1H-indol-6-yl]-methylamino]-1-oxopropan-2-yl]piperazin-1-yl]methyl]piperidin-1-yl]-N-(2,6-dioxopiperidin-3-yl)pyridine-2-carboxamide
• SMILES: CC(C(=O)N(C)c1ccc2cc(-c3n[nH]c4c3CCC(C)(C)C4)[nH]c2c1)N1CCN(CC2CCN(c3ccc(C(=O)NC4CCC(=O)NC4=O)nc3)CC2)CC1
• InChI: InChI=1S/C42H54N10O4/c1-26(41(56)49(4)29-6-5-28-21-35(44-34(28)22-29)38-31-11-14-42(2,3)23-36(31)47-48-38)51-19-17-50(18-20-51)25-27-12-15-52(16-13-27)30-7-8-32(43-24-30)39(54)45-33-9-10-37(53)46-40(33)55/h5-8,21-22,24,26-27,33,44H,9-20,23,25H2,1-4H3,(H,45,54)(H,47,48)(H,46,53,55)
• InChIKey: QBXJLEYOQOCQHO-UHFFFAOYSA-N
• XLogP: 3.89
• TPSA: 162.66 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 9
• Rotatable Bonds: 9
• Heavy Atoms: 56
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	762.96
LogP ≤ 5	3.89
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	9

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 5-[4-[[4-[1-[[2-(6,6-dimethyl-1,4,5,7-tetrahydroindazol-3-yl)-1H-indol-6-yl]-methylamino]-1-oxopropan-2-yl]piperazin-1-yl]methyl]piperidin-1-yl]-N-(2,6-dioxopiperidin-3-yl)pyridine-2-carboxamide?

The IUPAC name of 5-[4-[[4-[1-[[2-(6,6-dimethyl-1,4,5,7-tetrahydroindazol-3-yl)-1H-indol-6-yl]-methylamino]-1-oxopropan-2-yl]piperazin-1-yl]methyl]piperidin-1-yl]-N-(2,6-dioxopiperidin-3-yl)pyridine-2-carboxamide (CID 167190673) is 5-[4-[[4-[1-[[2-(6,6-dimethyl-1,4,5,7-tetrahydroindazol-3-yl)-1H-indol-6-yl]-methylamino]-1-oxopropan-2-yl]piperazin-1-yl]methyl]piperidin-1-yl]-N-(2,6-dioxopiperidin-3-yl)pyridine-2-carboxamide.

What is the SMILES notation for 5-[4-[[4-[1-[[2-(6,6-dimethyl-1,4,5,7-tetrahydroindazol-3-yl)-1H-indol-6-yl]-methylamino]-1-oxopropan-2-yl]piperazin-1-yl]methyl]piperidin-1-yl]-N-(2,6-dioxopiperidin-3-yl)pyridine-2-carboxamide?

The canonical SMILES for 5-[4-[[4-[1-[[2-(6,6-dimethyl-1,4,5,7-tetrahydroindazol-3-yl)-1H-indol-6-yl]-methylamino]-1-oxopropan-2-yl]piperazin-1-yl]methyl]piperidin-1-yl]-N-(2,6-dioxopiperidin-3-yl)pyridine-2-carboxamide is CC(C(=O)N(C)c1ccc2cc(-c3n[nH]c4c3CCC(C)(C)C4)[nH]c2c1)N1CCN(CC2CCN(c3ccc(C(=O)NC4CCC(=O)NC4=O)nc3)CC2)CC1.

What is the InChIKey of 5-[4-[[4-[1-[[2-(6,6-dimethyl-1,4,5,7-tetrahydroindazol-3-yl)-1H-indol-6-yl]-methylamino]-1-oxopropan-2-yl]piperazin-1-yl]methyl]piperidin-1-yl]-N-(2,6-dioxopiperidin-3-yl)pyridine-2-carboxamide?

The InChIKey is QBXJLEYOQOCQHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H54N10O4/c1-26(41(56)49(4)29-6-5-28-21-35(44-34(28)22-29)38-31-11-14-42(2,3)23-36(31)47-48-38)51-19-17-50(18-20-51)25-27-12-15-52(16-13-27)30-7-8-32(43-24-30)39(54)45-33-9-10-37(53)46-40(33)55/h5-8,21-22,24,26-27,33,44H,9-20,23,25H2,1-4H3,(H,45,54)(H,47,48)(H,46,53,55).

What are the key properties of 5-[4-[[4-[1-[[2-(6,6-dimethyl-1,4,5,7-tetrahydroindazol-3-yl)-1H-indol-6-yl]-methylamino]-1-oxopropan-2-yl]piperazin-1-yl]methyl]piperidin-1-yl]-N-(2,6-dioxopiperidin-3-yl)pyridine-2-carboxamide?

5-[4-[[4-[1-[[2-(6,6-dimethyl-1,4,5,7-tetrahydroindazol-3-yl)-1H-indol-6-yl]-methylamino]-1-oxopropan-2-yl]piperazin-1-yl]methyl]piperidin-1-yl]-N-(2,6-dioxopiperidin-3-yl)pyridine-2-carboxamide has a molecular weight of 762.96 g/mol, XLogP of 3.89, 9 rotatable bonds, 4 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[4-[[4-[1-[[2-(6,6-dimethyl-1,4,5,7-tetrahydroindazol-3-yl)-1H-indol-6-yl]-methylamino]-1-oxopropan-2-yl]piperazin-1-yl]methyl]piperidin-1-yl]-N-(2,6-dioxopiperidin-3-yl)pyridine-2-carboxamide is sourced from PubChem (CID 167190673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).