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

C41H44ClN9O6S — CID 162786054

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

5-[7-[1-[2-[1-[4-(3-chloro-4-cyanophenoxy)cyclohexyl]-2,6-dioxopiperidin-3-yl]-1,3-dioxoisoindol-5-yl]piperidin-4-yl]-2,7-diazaspiro[3.5]nonan-2-yl]-1,3,4-thiadiazole-2-carboxamide (PubChem CID 162786054) has the molecular formula C41H44ClN9O6S and a molecular weight of 826.38 g/mol. Its IUPAC name is 5-[7-[1-[2-[1-[4-(3-chloro-4-cyanophenoxy)cyclohexyl]-2,6-dioxopiperidin-3-yl]-1,3-dioxoisoindol-5-yl]piperidin-4-yl]-2,7-diazaspiro[3.5]nonan-2-yl]-1,3,4-thiadiazole-2-carboxamide.

Molecular Properties

• Compound Name: 5-[7-[1-[2-[1-[4-(3-chloro-4-cyanophenoxy)cyclohexyl]-2,6-dioxopiperidin-3-yl]-1,3-dioxoisoindol-5-yl]piperidin-4-yl]-2,7-diazaspiro[3.5]nonan-2-yl]-1,3,4-thiadiazole-2-carboxamide
• PubChem CID: 162786054
• Molecular Formula: C41H44ClN9O6S
• Molecular Weight: 826.38 g/mol
• Exact Mass: 825.28
• IUPAC Name: 5-[7-[1-[2-[1-[4-(3-chloro-4-cyanophenoxy)cyclohexyl]-2,6-dioxopiperidin-3-yl]-1,3-dioxoisoindol-5-yl]piperidin-4-yl]-2,7-diazaspiro[3.5]nonan-2-yl]-1,3,4-thiadiazole-2-carboxamide
• SMILES: N#Cc1ccc(OC2CCC(N3C(=O)CCC(N4C(=O)c5ccc(N6CCC(N7CCC8(CC7)CN(c7nnc(C(N)=O)s7)C8)CC6)cc5C4=O)C3=O)CC2)cc1Cl
• InChI: InChI=1S/C41H44ClN9O6S/c42-32-20-29(5-1-24(32)21-43)57-28-6-2-26(3-7-28)50-34(52)10-9-33(39(50)56)51-37(54)30-8-4-27(19-31(30)38(51)55)47-15-11-25(12-16-47)48-17-13-41(14-18-48)22-49(23-41)40-46-45-36(58-40)35(44)53/h1,4-5,8,19-20,25-26,28,33H,2-3,6-7,9-18,22-23H2,(H2,44,53)
• InChIKey: VCHRLEHTVDFKSA-UHFFFAOYSA-N
• XLogP: 4.24
• TPSA: 186.37 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 13
• Rotatable Bonds: 8
• Heavy Atoms: 58
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	826.38
LogP ≤ 5	4.24
H-Bond Donors ≤ 5	1
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 5-[7-[1-[2-[1-[4-(3-chloro-4-cyanophenoxy)cyclohexyl]-2,6-dioxopiperidin-3-yl]-1,3-dioxoisoindol-5-yl]piperidin-4-yl]-2,7-diazaspiro[3.5]nonan-2-yl]-1,3,4-thiadiazole-2-carboxamide?

The IUPAC name of 5-[7-[1-[2-[1-[4-(3-chloro-4-cyanophenoxy)cyclohexyl]-2,6-dioxopiperidin-3-yl]-1,3-dioxoisoindol-5-yl]piperidin-4-yl]-2,7-diazaspiro[3.5]nonan-2-yl]-1,3,4-thiadiazole-2-carboxamide (CID 162786054) is 5-[7-[1-[2-[1-[4-(3-chloro-4-cyanophenoxy)cyclohexyl]-2,6-dioxopiperidin-3-yl]-1,3-dioxoisoindol-5-yl]piperidin-4-yl]-2,7-diazaspiro[3.5]nonan-2-yl]-1,3,4-thiadiazole-2-carboxamide.

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

The canonical SMILES for 5-[7-[1-[2-[1-[4-(3-chloro-4-cyanophenoxy)cyclohexyl]-2,6-dioxopiperidin-3-yl]-1,3-dioxoisoindol-5-yl]piperidin-4-yl]-2,7-diazaspiro[3.5]nonan-2-yl]-1,3,4-thiadiazole-2-carboxamide is N#Cc1ccc(OC2CCC(N3C(=O)CCC(N4C(=O)c5ccc(N6CCC(N7CCC8(CC7)CN(c7nnc(C(N)=O)s7)C8)CC6)cc5C4=O)C3=O)CC2)cc1Cl.

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

The InChIKey is VCHRLEHTVDFKSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C41H44ClN9O6S/c42-32-20-29(5-1-24(32)21-43)57-28-6-2-26(3-7-28)50-34(52)10-9-33(39(50)56)51-37(54)30-8-4-27(19-31(30)38(51)55)47-15-11-25(12-16-47)48-17-13-41(14-18-48)22-49(23-41)40-46-45-36(58-40)35(44)53/h1,4-5,8,19-20,25-26,28,33H,2-3,6-7,9-18,22-23H2,(H2,44,53).

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

5-[7-[1-[2-[1-[4-(3-chloro-4-cyanophenoxy)cyclohexyl]-2,6-dioxopiperidin-3-yl]-1,3-dioxoisoindol-5-yl]piperidin-4-yl]-2,7-diazaspiro[3.5]nonan-2-yl]-1,3,4-thiadiazole-2-carboxamide has a molecular weight of 826.38 g/mol, XLogP of 4.24, 8 rotatable bonds, 1 hydrogen bond donors, and 13 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[7-[1-[2-[1-[4-(3-chloro-4-cyanophenoxy)cyclohexyl]-2,6-dioxopiperidin-3-yl]-1,3-dioxoisoindol-5-yl]piperidin-4-yl]-2,7-diazaspiro[3.5]nonan-2-yl]-1,3,4-thiadiazole-2-carboxamide is sourced from PubChem (CID 162786054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).