3-chloro-5-[[8-[4-[4-[[1-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]piperidin-4-yl]methyl]piperazin-1-yl]benzoyl]-8-azabicyclo[3.2.1]octan-3-yl]oxy]pyridine-2-carbonitrile

C43H45ClN8O6 — CID 170197460

About 3-chloro-5-[[8-[4-[4-[[1-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]piperidin-4-yl]methyl]piperazin-1-yl]benzoyl]-8-azabicyclo[3.2.1]octan-3-yl]oxy]pyridine-2-carbonitrile

3-chloro-5-[[8-[4-[4-[[1-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]piperidin-4-yl]methyl]piperazin-1-yl]benzoyl]-8-azabicyclo[3.2.1]octan-3-yl]oxy]pyridine-2-carbonitrile (PubChem CID 170197460) has the molecular formula C43H45ClN8O6 and a molecular weight of 805.34 g/mol. Its IUPAC name is 3-chloro-5-[[8-[4-[4-[[1-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]piperidin-4-yl]methyl]piperazin-1-yl]benzoyl]-8-azabicyclo[3.2.1]octan-3-yl]oxy]pyridine-2-carbonitrile.

Molecular Properties

• Compound Name: 3-chloro-5-[[8-[4-[4-[[1-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]piperidin-4-yl]methyl]piperazin-1-yl]benzoyl]-8-azabicyclo[3.2.1]octan-3-yl]oxy]pyridine-2-carbonitrile
• PubChem CID: 170197460
• Molecular Formula: C43H45ClN8O6
• Molecular Weight: 805.34 g/mol
• Exact Mass: 804.32
• IUPAC Name: 3-chloro-5-[[8-[4-[4-[[1-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]piperidin-4-yl]methyl]piperazin-1-yl]benzoyl]-8-azabicyclo[3.2.1]octan-3-yl]oxy]pyridine-2-carbonitrile
• SMILES: N#Cc1ncc(OC2CC3CCC(C2)N3C(=O)c2ccc(N3CCN(CC4CCN(c5ccc6c(c5)C(=O)N(C5CCC(=O)NC5=O)C6=O)CC4)CC3)cc2)cc1Cl
• InChI: InChI=1S/C43H45ClN8O6/c44-36-22-33(24-46-37(36)23-45)58-32-19-30-5-6-31(20-32)51(30)41(55)27-1-3-28(4-2-27)50-17-15-48(16-18-50)25-26-11-13-49(14-12-26)29-7-8-34-35(21-29)43(57)52(42(34)56)38-9-10-39(53)47-40(38)54/h1-4,7-8,21-22,24,26,30-32,38H,5-6,9-20,25H2,(H,47,53,54)
• InChIKey: RFLGDQLVVVPNMA-UHFFFAOYSA-N
• XLogP: 4.26
• TPSA: 159.49 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 11
• Rotatable Bonds: 8
• Heavy Atoms: 58
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	805.34
LogP ≤ 5	4.26
H-Bond Donors ≤ 5	1
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 3-chloro-5-[[8-[4-[4-[[1-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]piperidin-4-yl]methyl]piperazin-1-yl]benzoyl]-8-azabicyclo[3.2.1]octan-3-yl]oxy]pyridine-2-carbonitrile?

The IUPAC name of 3-chloro-5-[[8-[4-[4-[[1-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]piperidin-4-yl]methyl]piperazin-1-yl]benzoyl]-8-azabicyclo[3.2.1]octan-3-yl]oxy]pyridine-2-carbonitrile (CID 170197460) is 3-chloro-5-[[8-[4-[4-[[1-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]piperidin-4-yl]methyl]piperazin-1-yl]benzoyl]-8-azabicyclo[3.2.1]octan-3-yl]oxy]pyridine-2-carbonitrile.

What is the SMILES notation for 3-chloro-5-[[8-[4-[4-[[1-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]piperidin-4-yl]methyl]piperazin-1-yl]benzoyl]-8-azabicyclo[3.2.1]octan-3-yl]oxy]pyridine-2-carbonitrile?

The canonical SMILES for 3-chloro-5-[[8-[4-[4-[[1-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]piperidin-4-yl]methyl]piperazin-1-yl]benzoyl]-8-azabicyclo[3.2.1]octan-3-yl]oxy]pyridine-2-carbonitrile is N#Cc1ncc(OC2CC3CCC(C2)N3C(=O)c2ccc(N3CCN(CC4CCN(c5ccc6c(c5)C(=O)N(C5CCC(=O)NC5=O)C6=O)CC4)CC3)cc2)cc1Cl.

What is the InChIKey of 3-chloro-5-[[8-[4-[4-[[1-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]piperidin-4-yl]methyl]piperazin-1-yl]benzoyl]-8-azabicyclo[3.2.1]octan-3-yl]oxy]pyridine-2-carbonitrile?

The InChIKey is RFLGDQLVVVPNMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C43H45ClN8O6/c44-36-22-33(24-46-37(36)23-45)58-32-19-30-5-6-31(20-32)51(30)41(55)27-1-3-28(4-2-27)50-17-15-48(16-18-50)25-26-11-13-49(14-12-26)29-7-8-34-35(21-29)43(57)52(42(34)56)38-9-10-39(53)47-40(38)54/h1-4,7-8,21-22,24,26,30-32,38H,5-6,9-20,25H2,(H,47,53,54).

What are the key properties of 3-chloro-5-[[8-[4-[4-[[1-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]piperidin-4-yl]methyl]piperazin-1-yl]benzoyl]-8-azabicyclo[3.2.1]octan-3-yl]oxy]pyridine-2-carbonitrile?

3-chloro-5-[[8-[4-[4-[[1-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]piperidin-4-yl]methyl]piperazin-1-yl]benzoyl]-8-azabicyclo[3.2.1]octan-3-yl]oxy]pyridine-2-carbonitrile has a molecular weight of 805.34 g/mol, XLogP of 4.26, 8 rotatable bonds, 1 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for 3-chloro-5-[[8-[4-[4-[[1-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]piperidin-4-yl]methyl]piperazin-1-yl]benzoyl]-8-azabicyclo[3.2.1]octan-3-yl]oxy]pyridine-2-carbonitrile is sourced from PubChem (CID 170197460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).