N-[2-[4-[[[4-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]cyclohexyl]-methylamino]methyl]cyclohexyl]-6-methoxyindazol-5-yl]-6-methylpyridine-2-carboxamide

C42H48N8O6 — CID 170245444

About N-[2-[4-[[[4-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]cyclohexyl]-methylamino]methyl]cyclohexyl]-6-methoxyindazol-5-yl]-6-methylpyridine-2-carboxamide

N-[2-[4-[[[4-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]cyclohexyl]-methylamino]methyl]cyclohexyl]-6-methoxyindazol-5-yl]-6-methylpyridine-2-carboxamide (PubChem CID 170245444) has the molecular formula C42H48N8O6 and a molecular weight of 760.90 g/mol. Its IUPAC name is N-[2-[4-[[[4-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]cyclohexyl]-methylamino]methyl]cyclohexyl]-6-methoxyindazol-5-yl]-6-methylpyridine-2-carboxamide.

Molecular Properties

• Compound Name: N-[2-[4-[[[4-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]cyclohexyl]-methylamino]methyl]cyclohexyl]-6-methoxyindazol-5-yl]-6-methylpyridine-2-carboxamide
• PubChem CID: 170245444
• Molecular Formula: C42H48N8O6
• Molecular Weight: 760.90 g/mol
• Exact Mass: 760.37
• IUPAC Name: N-[2-[4-[[[4-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]cyclohexyl]-methylamino]methyl]cyclohexyl]-6-methoxyindazol-5-yl]-6-methylpyridine-2-carboxamide
• SMILES: COc1cc2nn(C3CCC(CN(C)C4CCC(Nc5cccc6c5C(=O)N(C5CCC(=O)NC5=O)C6=O)CC4)CC3)cc2cc1NC(=O)c1cccc(C)n1
• InChI: InChI=1S/C42H48N8O6/c1-24-6-4-9-32(43-24)39(52)45-34-20-26-23-49(47-33(26)21-36(34)56-3)29-14-10-25(11-15-29)22-48(2)28-16-12-27(13-17-28)44-31-8-5-7-30-38(31)42(55)50(41(30)54)35-18-19-37(51)46-40(35)53/h4-9,20-21,23,25,27-29,35,44H,10-19,22H2,1-3H3,(H,45,52)(H,46,51,53)
• InChIKey: IHABEPRZTZYFIX-UHFFFAOYSA-N
• XLogP: 5.49
• TPSA: 167.86 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 11
• Rotatable Bonds: 10
• Heavy Atoms: 56
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	760.90
LogP ≤ 5	5.49
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	11

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-[2-[4-[[[4-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]cyclohexyl]-methylamino]methyl]cyclohexyl]-6-methoxyindazol-5-yl]-6-methylpyridine-2-carboxamide?

The IUPAC name of N-[2-[4-[[[4-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]cyclohexyl]-methylamino]methyl]cyclohexyl]-6-methoxyindazol-5-yl]-6-methylpyridine-2-carboxamide (CID 170245444) is N-[2-[4-[[[4-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]cyclohexyl]-methylamino]methyl]cyclohexyl]-6-methoxyindazol-5-yl]-6-methylpyridine-2-carboxamide.

What is the SMILES notation for N-[2-[4-[[[4-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]cyclohexyl]-methylamino]methyl]cyclohexyl]-6-methoxyindazol-5-yl]-6-methylpyridine-2-carboxamide?

The canonical SMILES for N-[2-[4-[[[4-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]cyclohexyl]-methylamino]methyl]cyclohexyl]-6-methoxyindazol-5-yl]-6-methylpyridine-2-carboxamide is COc1cc2nn(C3CCC(CN(C)C4CCC(Nc5cccc6c5C(=O)N(C5CCC(=O)NC5=O)C6=O)CC4)CC3)cc2cc1NC(=O)c1cccc(C)n1.

What is the InChIKey of N-[2-[4-[[[4-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]cyclohexyl]-methylamino]methyl]cyclohexyl]-6-methoxyindazol-5-yl]-6-methylpyridine-2-carboxamide?

The InChIKey is IHABEPRZTZYFIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H48N8O6/c1-24-6-4-9-32(43-24)39(52)45-34-20-26-23-49(47-33(26)21-36(34)56-3)29-14-10-25(11-15-29)22-48(2)28-16-12-27(13-17-28)44-31-8-5-7-30-38(31)42(55)50(41(30)54)35-18-19-37(51)46-40(35)53/h4-9,20-21,23,25,27-29,35,44H,10-19,22H2,1-3H3,(H,45,52)(H,46,51,53).

What are the key properties of N-[2-[4-[[[4-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]cyclohexyl]-methylamino]methyl]cyclohexyl]-6-methoxyindazol-5-yl]-6-methylpyridine-2-carboxamide?

N-[2-[4-[[[4-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]cyclohexyl]-methylamino]methyl]cyclohexyl]-6-methoxyindazol-5-yl]-6-methylpyridine-2-carboxamide has a molecular weight of 760.90 g/mol, XLogP of 5.49, 10 rotatable bonds, 3 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-[4-[[[4-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]cyclohexyl]-methylamino]methyl]cyclohexyl]-6-methoxyindazol-5-yl]-6-methylpyridine-2-carboxamide is sourced from PubChem (CID 170245444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).