6-(6-cyanoimidazo[4,5-b]pyridin-3-yl)-4-(cyclopentylamino)-N-[4-[[4-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]piperazin-1-yl]methyl]cyclohexyl]pyridine-3-carboxamide

C42H45N11O5 — CID 171407023

About 6-(6-cyanoimidazo[4,5-b]pyridin-3-yl)-4-(cyclopentylamino)-N-[4-[[4-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]piperazin-1-yl]methyl]cyclohexyl]pyridine-3-carboxamide

6-(6-cyanoimidazo[4,5-b]pyridin-3-yl)-4-(cyclopentylamino)-N-[4-[[4-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]piperazin-1-yl]methyl]cyclohexyl]pyridine-3-carboxamide (PubChem CID 171407023) has the molecular formula C42H45N11O5 and a molecular weight of 783.89 g/mol. Its IUPAC name is 6-(6-cyanoimidazo[4,5-b]pyridin-3-yl)-4-(cyclopentylamino)-N-[4-[[4-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]piperazin-1-yl]methyl]cyclohexyl]pyridine-3-carboxamide.

Molecular Properties

• Compound Name: 6-(6-cyanoimidazo[4,5-b]pyridin-3-yl)-4-(cyclopentylamino)-N-[4-[[4-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]piperazin-1-yl]methyl]cyclohexyl]pyridine-3-carboxamide
• PubChem CID: 171407023
• Molecular Formula: C42H45N11O5
• Molecular Weight: 783.89 g/mol
• Exact Mass: 783.36
• IUPAC Name: 6-(6-cyanoimidazo[4,5-b]pyridin-3-yl)-4-(cyclopentylamino)-N-[4-[[4-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]piperazin-1-yl]methyl]cyclohexyl]pyridine-3-carboxamide
• SMILES: N#Cc1cnc2c(c1)ncn2-c1cc(NC2CCCC2)c(C(=O)NC2CCC(CN3CCN(c4ccc5c(c4)C(=O)N(C4CCC(=O)NC4=O)C5=O)CC3)CC2)cn1
• InChI: InChI=1S/C42H45N11O5/c43-20-26-17-34-38(45-21-26)52(24-46-34)36-19-33(47-27-3-1-2-4-27)32(22-44-36)39(55)48-28-7-5-25(6-8-28)23-50-13-15-51(16-14-50)29-9-10-30-31(18-29)42(58)53(41(30)57)35-11-12-37(54)49-40(35)56/h9-10,17-19,21-22,24-25,27-28,35H,1-8,11-16,23H2,(H,44,47)(H,48,55)(H,49,54,56)
• InChIKey: IEIJHJQBHPTWIP-UHFFFAOYSA-N
• XLogP: 3.55
• TPSA: 198.55 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 13
• Rotatable Bonds: 9
• Heavy Atoms: 58
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	783.89
LogP ≤ 5	3.55
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	13

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 6-(6-cyanoimidazo[4,5-b]pyridin-3-yl)-4-(cyclopentylamino)-N-[4-[[4-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]piperazin-1-yl]methyl]cyclohexyl]pyridine-3-carboxamide?

The IUPAC name of 6-(6-cyanoimidazo[4,5-b]pyridin-3-yl)-4-(cyclopentylamino)-N-[4-[[4-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]piperazin-1-yl]methyl]cyclohexyl]pyridine-3-carboxamide (CID 171407023) is 6-(6-cyanoimidazo[4,5-b]pyridin-3-yl)-4-(cyclopentylamino)-N-[4-[[4-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]piperazin-1-yl]methyl]cyclohexyl]pyridine-3-carboxamide.

What is the SMILES notation for 6-(6-cyanoimidazo[4,5-b]pyridin-3-yl)-4-(cyclopentylamino)-N-[4-[[4-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]piperazin-1-yl]methyl]cyclohexyl]pyridine-3-carboxamide?

The canonical SMILES for 6-(6-cyanoimidazo[4,5-b]pyridin-3-yl)-4-(cyclopentylamino)-N-[4-[[4-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]piperazin-1-yl]methyl]cyclohexyl]pyridine-3-carboxamide is N#Cc1cnc2c(c1)ncn2-c1cc(NC2CCCC2)c(C(=O)NC2CCC(CN3CCN(c4ccc5c(c4)C(=O)N(C4CCC(=O)NC4=O)C5=O)CC3)CC2)cn1.

What is the InChIKey of 6-(6-cyanoimidazo[4,5-b]pyridin-3-yl)-4-(cyclopentylamino)-N-[4-[[4-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]piperazin-1-yl]methyl]cyclohexyl]pyridine-3-carboxamide?

The InChIKey is IEIJHJQBHPTWIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H45N11O5/c43-20-26-17-34-38(45-21-26)52(24-46-34)36-19-33(47-27-3-1-2-4-27)32(22-44-36)39(55)48-28-7-5-25(6-8-28)23-50-13-15-51(16-14-50)29-9-10-30-31(18-29)42(58)53(41(30)57)35-11-12-37(54)49-40(35)56/h9-10,17-19,21-22,24-25,27-28,35H,1-8,11-16,23H2,(H,44,47)(H,48,55)(H,49,54,56).

What are the key properties of 6-(6-cyanoimidazo[4,5-b]pyridin-3-yl)-4-(cyclopentylamino)-N-[4-[[4-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]piperazin-1-yl]methyl]cyclohexyl]pyridine-3-carboxamide?

6-(6-cyanoimidazo[4,5-b]pyridin-3-yl)-4-(cyclopentylamino)-N-[4-[[4-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]piperazin-1-yl]methyl]cyclohexyl]pyridine-3-carboxamide has a molecular weight of 783.89 g/mol, XLogP of 3.55, 9 rotatable bonds, 3 hydrogen bond donors, and 13 hydrogen bond acceptors.

Where does this data come from?

All data for 6-(6-cyanoimidazo[4,5-b]pyridin-3-yl)-4-(cyclopentylamino)-N-[4-[[4-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]piperazin-1-yl]methyl]cyclohexyl]pyridine-3-carboxamide is sourced from PubChem (CID 171407023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).