N-[4-[1-(cyclopropanecarbonyl)-2,3-dihydroindol-5-yl]-5-methyl-1,3-thiazol-2-yl]-2-[5-[5-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]pentoxy]-1-bicyclo[3.1.1]heptanyl]acetamide

C43H48N6O7S — CID 177161216

About N-[4-[1-(cyclopropanecarbonyl)-2,3-dihydroindol-5-yl]-5-methyl-1,3-thiazol-2-yl]-2-[5-[5-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]pentoxy]-1-bicyclo[3.1.1]heptanyl]acetamide

N-[4-[1-(cyclopropanecarbonyl)-2,3-dihydroindol-5-yl]-5-methyl-1,3-thiazol-2-yl]-2-[5-[5-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]pentoxy]-1-bicyclo[3.1.1]heptanyl]acetamide (PubChem CID 177161216) has the molecular formula C43H48N6O7S and a molecular weight of 792.96 g/mol. Its IUPAC name is N-[4-[1-(cyclopropanecarbonyl)-2,3-dihydroindol-5-yl]-5-methyl-1,3-thiazol-2-yl]-2-[5-[5-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]pentoxy]-1-bicyclo[3.1.1]heptanyl]acetamide.

Molecular Properties

• Compound Name: N-[4-[1-(cyclopropanecarbonyl)-2,3-dihydroindol-5-yl]-5-methyl-1,3-thiazol-2-yl]-2-[5-[5-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]pentoxy]-1-bicyclo[3.1.1]heptanyl]acetamide
• PubChem CID: 177161216
• Molecular Formula: C43H48N6O7S
• Molecular Weight: 792.96 g/mol
• Exact Mass: 792.33
• IUPAC Name: N-[4-[1-(cyclopropanecarbonyl)-2,3-dihydroindol-5-yl]-5-methyl-1,3-thiazol-2-yl]-2-[5-[5-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]pentoxy]-1-bicyclo[3.1.1]heptanyl]acetamide
• SMILES: Cc1sc(NC(=O)CC23CCCC(OCCCCCNc4cccc5c4C(=O)N(C4CCC(=O)NC4=O)C5=O)(C2)C3)nc1-c1ccc2c(c1)CCN2C(=O)C1CC1
• InChI: InChI=1S/C43H48N6O7S/c1-25-36(28-11-12-31-27(21-28)15-19-48(31)38(53)26-9-10-26)47-41(57-25)46-34(51)22-42-16-6-17-43(23-42,24-42)56-20-4-2-3-18-44-30-8-5-7-29-35(30)40(55)49(39(29)54)32-13-14-33(50)45-37(32)52/h5,7-8,11-12,21,26,32,44H,2-4,6,9-10,13-20,22-24H2,1H3,(H,45,50,52)(H,46,47,51)
• InChIKey: JKBPDGCOBZDKRK-UHFFFAOYSA-N
• XLogP: 6.15
• TPSA: 167.11 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 10
• Rotatable Bonds: 14
• Heavy Atoms: 57
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	792.96
LogP ≤ 5	6.15
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	10

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-[4-[1-(cyclopropanecarbonyl)-2,3-dihydroindol-5-yl]-5-methyl-1,3-thiazol-2-yl]-2-[5-[5-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]pentoxy]-1-bicyclo[3.1.1]heptanyl]acetamide?

The IUPAC name of N-[4-[1-(cyclopropanecarbonyl)-2,3-dihydroindol-5-yl]-5-methyl-1,3-thiazol-2-yl]-2-[5-[5-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]pentoxy]-1-bicyclo[3.1.1]heptanyl]acetamide (CID 177161216) is N-[4-[1-(cyclopropanecarbonyl)-2,3-dihydroindol-5-yl]-5-methyl-1,3-thiazol-2-yl]-2-[5-[5-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]pentoxy]-1-bicyclo[3.1.1]heptanyl]acetamide.

What is the SMILES notation for N-[4-[1-(cyclopropanecarbonyl)-2,3-dihydroindol-5-yl]-5-methyl-1,3-thiazol-2-yl]-2-[5-[5-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]pentoxy]-1-bicyclo[3.1.1]heptanyl]acetamide?

The canonical SMILES for N-[4-[1-(cyclopropanecarbonyl)-2,3-dihydroindol-5-yl]-5-methyl-1,3-thiazol-2-yl]-2-[5-[5-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]pentoxy]-1-bicyclo[3.1.1]heptanyl]acetamide is Cc1sc(NC(=O)CC23CCCC(OCCCCCNc4cccc5c4C(=O)N(C4CCC(=O)NC4=O)C5=O)(C2)C3)nc1-c1ccc2c(c1)CCN2C(=O)C1CC1.

What is the InChIKey of N-[4-[1-(cyclopropanecarbonyl)-2,3-dihydroindol-5-yl]-5-methyl-1,3-thiazol-2-yl]-2-[5-[5-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]pentoxy]-1-bicyclo[3.1.1]heptanyl]acetamide?

The InChIKey is JKBPDGCOBZDKRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C43H48N6O7S/c1-25-36(28-11-12-31-27(21-28)15-19-48(31)38(53)26-9-10-26)47-41(57-25)46-34(51)22-42-16-6-17-43(23-42,24-42)56-20-4-2-3-18-44-30-8-5-7-29-35(30)40(55)49(39(29)54)32-13-14-33(50)45-37(32)52/h5,7-8,11-12,21,26,32,44H,2-4,6,9-10,13-20,22-24H2,1H3,(H,45,50,52)(H,46,47,51).

What are the key properties of N-[4-[1-(cyclopropanecarbonyl)-2,3-dihydroindol-5-yl]-5-methyl-1,3-thiazol-2-yl]-2-[5-[5-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]pentoxy]-1-bicyclo[3.1.1]heptanyl]acetamide?

N-[4-[1-(cyclopropanecarbonyl)-2,3-dihydroindol-5-yl]-5-methyl-1,3-thiazol-2-yl]-2-[5-[5-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]pentoxy]-1-bicyclo[3.1.1]heptanyl]acetamide has a molecular weight of 792.96 g/mol, XLogP of 6.15, 14 rotatable bonds, 3 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for N-[4-[1-(cyclopropanecarbonyl)-2,3-dihydroindol-5-yl]-5-methyl-1,3-thiazol-2-yl]-2-[5-[5-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]pentoxy]-1-bicyclo[3.1.1]heptanyl]acetamide is sourced from PubChem (CID 177161216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).