5-[4-[7-[2-[1-[4-(3-chloro-4-cyanophenoxy)cyclohexyl]-2,6-dioxopiperidin-3-yl]-1,3-dioxoisoindol-5-yl]-2,7-diazaspiro[3.5]nonan-2-yl]piperidin-1-yl]pyrazine-2-carboxamide

C43H46ClN9O6 — CID 162786065

About 5-[4-[7-[2-[1-[4-(3-chloro-4-cyanophenoxy)cyclohexyl]-2,6-dioxopiperidin-3-yl]-1,3-dioxoisoindol-5-yl]-2,7-diazaspiro[3.5]nonan-2-yl]piperidin-1-yl]pyrazine-2-carboxamide

5-[4-[7-[2-[1-[4-(3-chloro-4-cyanophenoxy)cyclohexyl]-2,6-dioxopiperidin-3-yl]-1,3-dioxoisoindol-5-yl]-2,7-diazaspiro[3.5]nonan-2-yl]piperidin-1-yl]pyrazine-2-carboxamide (PubChem CID 162786065) has the molecular formula C43H46ClN9O6 and a molecular weight of 820.35 g/mol. Its IUPAC name is 5-[4-[7-[2-[1-[4-(3-chloro-4-cyanophenoxy)cyclohexyl]-2,6-dioxopiperidin-3-yl]-1,3-dioxoisoindol-5-yl]-2,7-diazaspiro[3.5]nonan-2-yl]piperidin-1-yl]pyrazine-2-carboxamide.

Molecular Properties

• Compound Name: 5-[4-[7-[2-[1-[4-(3-chloro-4-cyanophenoxy)cyclohexyl]-2,6-dioxopiperidin-3-yl]-1,3-dioxoisoindol-5-yl]-2,7-diazaspiro[3.5]nonan-2-yl]piperidin-1-yl]pyrazine-2-carboxamide
• PubChem CID: 162786065
• Molecular Formula: C43H46ClN9O6
• Molecular Weight: 820.35 g/mol
• Exact Mass: 819.33
• IUPAC Name: 5-[4-[7-[2-[1-[4-(3-chloro-4-cyanophenoxy)cyclohexyl]-2,6-dioxopiperidin-3-yl]-1,3-dioxoisoindol-5-yl]-2,7-diazaspiro[3.5]nonan-2-yl]piperidin-1-yl]pyrazine-2-carboxamide
• SMILES: N#Cc1ccc(OC2CCC(N3C(=O)CCC(N4C(=O)c5ccc(N6CCC7(CC6)CN(C6CCN(c8cnc(C(N)=O)cn8)CC6)C7)cc5C4=O)C3=O)CC2)cc1Cl
• InChI: InChI=1S/C43H46ClN9O6/c44-34-20-31(5-1-26(34)21-45)59-30-6-2-28(3-7-30)52-38(54)10-9-36(42(52)58)53-40(56)32-8-4-29(19-33(32)41(53)57)49-17-13-43(14-18-49)24-51(25-43)27-11-15-50(16-12-27)37-23-47-35(22-48-37)39(46)55/h1,4-5,8,19-20,22-23,27-28,30,36H,2-3,6-7,9-18,24-25H2,(H2,46,55)
• InChIKey: ZZXPRFRTTHDNSN-UHFFFAOYSA-N
• XLogP: 4.18
• TPSA: 186.37 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 12
• Rotatable Bonds: 8
• Heavy Atoms: 59
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	820.35
LogP ≤ 5	4.18
H-Bond Donors ≤ 5	1
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 5-[4-[7-[2-[1-[4-(3-chloro-4-cyanophenoxy)cyclohexyl]-2,6-dioxopiperidin-3-yl]-1,3-dioxoisoindol-5-yl]-2,7-diazaspiro[3.5]nonan-2-yl]piperidin-1-yl]pyrazine-2-carboxamide?

The IUPAC name of 5-[4-[7-[2-[1-[4-(3-chloro-4-cyanophenoxy)cyclohexyl]-2,6-dioxopiperidin-3-yl]-1,3-dioxoisoindol-5-yl]-2,7-diazaspiro[3.5]nonan-2-yl]piperidin-1-yl]pyrazine-2-carboxamide (CID 162786065) is 5-[4-[7-[2-[1-[4-(3-chloro-4-cyanophenoxy)cyclohexyl]-2,6-dioxopiperidin-3-yl]-1,3-dioxoisoindol-5-yl]-2,7-diazaspiro[3.5]nonan-2-yl]piperidin-1-yl]pyrazine-2-carboxamide.

What is the SMILES notation for 5-[4-[7-[2-[1-[4-(3-chloro-4-cyanophenoxy)cyclohexyl]-2,6-dioxopiperidin-3-yl]-1,3-dioxoisoindol-5-yl]-2,7-diazaspiro[3.5]nonan-2-yl]piperidin-1-yl]pyrazine-2-carboxamide?

The canonical SMILES for 5-[4-[7-[2-[1-[4-(3-chloro-4-cyanophenoxy)cyclohexyl]-2,6-dioxopiperidin-3-yl]-1,3-dioxoisoindol-5-yl]-2,7-diazaspiro[3.5]nonan-2-yl]piperidin-1-yl]pyrazine-2-carboxamide is N#Cc1ccc(OC2CCC(N3C(=O)CCC(N4C(=O)c5ccc(N6CCC7(CC6)CN(C6CCN(c8cnc(C(N)=O)cn8)CC6)C7)cc5C4=O)C3=O)CC2)cc1Cl.

What is the InChIKey of 5-[4-[7-[2-[1-[4-(3-chloro-4-cyanophenoxy)cyclohexyl]-2,6-dioxopiperidin-3-yl]-1,3-dioxoisoindol-5-yl]-2,7-diazaspiro[3.5]nonan-2-yl]piperidin-1-yl]pyrazine-2-carboxamide?

The InChIKey is ZZXPRFRTTHDNSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C43H46ClN9O6/c44-34-20-31(5-1-26(34)21-45)59-30-6-2-28(3-7-30)52-38(54)10-9-36(42(52)58)53-40(56)32-8-4-29(19-33(32)41(53)57)49-17-13-43(14-18-49)24-51(25-43)27-11-15-50(16-12-27)37-23-47-35(22-48-37)39(46)55/h1,4-5,8,19-20,22-23,27-28,30,36H,2-3,6-7,9-18,24-25H2,(H2,46,55).

What are the key properties of 5-[4-[7-[2-[1-[4-(3-chloro-4-cyanophenoxy)cyclohexyl]-2,6-dioxopiperidin-3-yl]-1,3-dioxoisoindol-5-yl]-2,7-diazaspiro[3.5]nonan-2-yl]piperidin-1-yl]pyrazine-2-carboxamide?

5-[4-[7-[2-[1-[4-(3-chloro-4-cyanophenoxy)cyclohexyl]-2,6-dioxopiperidin-3-yl]-1,3-dioxoisoindol-5-yl]-2,7-diazaspiro[3.5]nonan-2-yl]piperidin-1-yl]pyrazine-2-carboxamide has a molecular weight of 820.35 g/mol, XLogP of 4.18, 8 rotatable bonds, 1 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[4-[7-[2-[1-[4-(3-chloro-4-cyanophenoxy)cyclohexyl]-2,6-dioxopiperidin-3-yl]-1,3-dioxoisoindol-5-yl]-2,7-diazaspiro[3.5]nonan-2-yl]piperidin-1-yl]pyrazine-2-carboxamide is sourced from PubChem (CID 162786065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).