N-[2-[4-[7-[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]ethyl]-2,7-diazaspiro[3.5]nonane-2-carbonyl]cyclohexyl]-5-(2-hydroxypropan-2-yl)-1,3-benzothiazol-6-yl]-6-methylpyridine-2-carboxamide

C46H52N8O7S — CID 164567393

About N-[2-[4-[7-[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]ethyl]-2,7-diazaspiro[3.5]nonane-2-carbonyl]cyclohexyl]-5-(2-hydroxypropan-2-yl)-1,3-benzothiazol-6-yl]-6-methylpyridine-2-carboxamide

N-[2-[4-[7-[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]ethyl]-2,7-diazaspiro[3.5]nonane-2-carbonyl]cyclohexyl]-5-(2-hydroxypropan-2-yl)-1,3-benzothiazol-6-yl]-6-methylpyridine-2-carboxamide (PubChem CID 164567393) has the molecular formula C46H52N8O7S and a molecular weight of 861.04 g/mol. Its IUPAC name is N-[2-[4-[7-[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]ethyl]-2,7-diazaspiro[3.5]nonane-2-carbonyl]cyclohexyl]-5-(2-hydroxypropan-2-yl)-1,3-benzothiazol-6-yl]-6-methylpyridine-2-carboxamide.

Molecular Properties

• Compound Name: N-[2-[4-[7-[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]ethyl]-2,7-diazaspiro[3.5]nonane-2-carbonyl]cyclohexyl]-5-(2-hydroxypropan-2-yl)-1,3-benzothiazol-6-yl]-6-methylpyridine-2-carboxamide
• PubChem CID: 164567393
• Molecular Formula: C46H52N8O7S
• Molecular Weight: 861.04 g/mol
• Exact Mass: 860.37
• IUPAC Name: N-[2-[4-[7-[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]ethyl]-2,7-diazaspiro[3.5]nonane-2-carbonyl]cyclohexyl]-5-(2-hydroxypropan-2-yl)-1,3-benzothiazol-6-yl]-6-methylpyridine-2-carboxamide
• SMILES: Cc1cccc(C(=O)Nc2cc3sc(C4CCC(C(=O)N5CC6(CCN(CCNc7cccc8c7C(=O)N(C7CCC(=O)NC7=O)C8=O)CC6)C5)CC4)nc3cc2C(C)(C)O)n1
• InChI: InChI=1S/C46H52N8O7S/c1-26-6-4-9-32(48-26)39(56)49-33-23-36-34(22-30(33)45(2,3)61)50-41(62-36)27-10-12-28(13-11-27)42(58)53-24-46(25-53)16-19-52(20-17-46)21-18-47-31-8-5-7-29-38(31)44(60)54(43(29)59)35-14-15-37(55)51-40(35)57/h4-9,22-23,27-28,35,47,61H,10-21,24-25H2,1-3H3,(H,49,56)(H,51,55,57)
• InChIKey: RAMVYEONBFJJDR-UHFFFAOYSA-N
• XLogP: 5.19
• TPSA: 194.24 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 12
• Rotatable Bonds: 10
• Heavy Atoms: 62
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	861.04
LogP ≤ 5	5.19
H-Bond Donors ≤ 5	4
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 N-[2-[4-[7-[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]ethyl]-2,7-diazaspiro[3.5]nonane-2-carbonyl]cyclohexyl]-5-(2-hydroxypropan-2-yl)-1,3-benzothiazol-6-yl]-6-methylpyridine-2-carboxamide?

The IUPAC name of N-[2-[4-[7-[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]ethyl]-2,7-diazaspiro[3.5]nonane-2-carbonyl]cyclohexyl]-5-(2-hydroxypropan-2-yl)-1,3-benzothiazol-6-yl]-6-methylpyridine-2-carboxamide (CID 164567393) is N-[2-[4-[7-[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]ethyl]-2,7-diazaspiro[3.5]nonane-2-carbonyl]cyclohexyl]-5-(2-hydroxypropan-2-yl)-1,3-benzothiazol-6-yl]-6-methylpyridine-2-carboxamide.

What is the SMILES notation for N-[2-[4-[7-[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]ethyl]-2,7-diazaspiro[3.5]nonane-2-carbonyl]cyclohexyl]-5-(2-hydroxypropan-2-yl)-1,3-benzothiazol-6-yl]-6-methylpyridine-2-carboxamide?

The canonical SMILES for N-[2-[4-[7-[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]ethyl]-2,7-diazaspiro[3.5]nonane-2-carbonyl]cyclohexyl]-5-(2-hydroxypropan-2-yl)-1,3-benzothiazol-6-yl]-6-methylpyridine-2-carboxamide is Cc1cccc(C(=O)Nc2cc3sc(C4CCC(C(=O)N5CC6(CCN(CCNc7cccc8c7C(=O)N(C7CCC(=O)NC7=O)C8=O)CC6)C5)CC4)nc3cc2C(C)(C)O)n1.

What is the InChIKey of N-[2-[4-[7-[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]ethyl]-2,7-diazaspiro[3.5]nonane-2-carbonyl]cyclohexyl]-5-(2-hydroxypropan-2-yl)-1,3-benzothiazol-6-yl]-6-methylpyridine-2-carboxamide?

The InChIKey is RAMVYEONBFJJDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H52N8O7S/c1-26-6-4-9-32(48-26)39(56)49-33-23-36-34(22-30(33)45(2,3)61)50-41(62-36)27-10-12-28(13-11-27)42(58)53-24-46(25-53)16-19-52(20-17-46)21-18-47-31-8-5-7-29-38(31)44(60)54(43(29)59)35-14-15-37(55)51-40(35)57/h4-9,22-23,27-28,35,47,61H,10-21,24-25H2,1-3H3,(H,49,56)(H,51,55,57).

What are the key properties of N-[2-[4-[7-[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]ethyl]-2,7-diazaspiro[3.5]nonane-2-carbonyl]cyclohexyl]-5-(2-hydroxypropan-2-yl)-1,3-benzothiazol-6-yl]-6-methylpyridine-2-carboxamide?

N-[2-[4-[7-[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]ethyl]-2,7-diazaspiro[3.5]nonane-2-carbonyl]cyclohexyl]-5-(2-hydroxypropan-2-yl)-1,3-benzothiazol-6-yl]-6-methylpyridine-2-carboxamide has a molecular weight of 861.04 g/mol, XLogP of 5.19, 10 rotatable bonds, 4 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-[4-[7-[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]ethyl]-2,7-diazaspiro[3.5]nonane-2-carbonyl]cyclohexyl]-5-(2-hydroxypropan-2-yl)-1,3-benzothiazol-6-yl]-6-methylpyridine-2-carboxamide is sourced from PubChem (CID 164567393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).