N-[4-[1-(cyclopropanecarbonyl)-2,3-dihydroindol-5-yl]-5-methyl-1,3-thiazol-2-yl]-2-[3-[2-[2-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]amino]ethoxy]ethoxy]-4-fluorophenyl]acetamide

C41H41FN6O7S — CID 170705299

About N-[4-[1-(cyclopropanecarbonyl)-2,3-dihydroindol-5-yl]-5-methyl-1,3-thiazol-2-yl]-2-[3-[2-[2-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]amino]ethoxy]ethoxy]-4-fluorophenyl]acetamide

N-[4-[1-(cyclopropanecarbonyl)-2,3-dihydroindol-5-yl]-5-methyl-1,3-thiazol-2-yl]-2-[3-[2-[2-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]amino]ethoxy]ethoxy]-4-fluorophenyl]acetamide (PubChem CID 170705299) has the molecular formula C41H41FN6O7S and a molecular weight of 780.88 g/mol. Its IUPAC name is N-[4-[1-(cyclopropanecarbonyl)-2,3-dihydroindol-5-yl]-5-methyl-1,3-thiazol-2-yl]-2-[3-[2-[2-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]amino]ethoxy]ethoxy]-4-fluorophenyl]acetamide.

Molecular Properties

• Compound Name: N-[4-[1-(cyclopropanecarbonyl)-2,3-dihydroindol-5-yl]-5-methyl-1,3-thiazol-2-yl]-2-[3-[2-[2-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]amino]ethoxy]ethoxy]-4-fluorophenyl]acetamide
• PubChem CID: 170705299
• Molecular Formula: C41H41FN6O7S
• Molecular Weight: 780.88 g/mol
• Exact Mass: 780.27
• IUPAC Name: N-[4-[1-(cyclopropanecarbonyl)-2,3-dihydroindol-5-yl]-5-methyl-1,3-thiazol-2-yl]-2-[3-[2-[2-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]amino]ethoxy]ethoxy]-4-fluorophenyl]acetamide
• SMILES: Cc1sc(NC(=O)Cc2ccc(F)c(OCCOCCNc3ccc4c(c3)CN(C3CCC(=O)NC3=O)C4=O)c2)nc1-c1ccc2c(c1)CCN2C(=O)C1CC1
• InChI: InChI=1S/C41H41FN6O7S/c1-23-37(27-5-9-32-26(20-27)12-14-47(32)39(52)25-3-4-25)46-41(56-23)45-36(50)19-24-2-8-31(42)34(18-24)55-17-16-54-15-13-43-29-6-7-30-28(21-29)22-48(40(30)53)33-10-11-35(49)44-38(33)51/h2,5-9,18,20-21,25,33,43H,3-4,10-17,19,22H2,1H3,(H,44,49,51)(H,45,46,50)
• InChIKey: MBYZQHOGNRCAIP-UHFFFAOYSA-N
• XLogP: 5.01
• TPSA: 159.27 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 10
• Rotatable Bonds: 14
• Heavy Atoms: 56
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	780.88
LogP ≤ 5	5.01
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-[3-[2-[2-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]amino]ethoxy]ethoxy]-4-fluorophenyl]acetamide?

The IUPAC name of N-[4-[1-(cyclopropanecarbonyl)-2,3-dihydroindol-5-yl]-5-methyl-1,3-thiazol-2-yl]-2-[3-[2-[2-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]amino]ethoxy]ethoxy]-4-fluorophenyl]acetamide (CID 170705299) is N-[4-[1-(cyclopropanecarbonyl)-2,3-dihydroindol-5-yl]-5-methyl-1,3-thiazol-2-yl]-2-[3-[2-[2-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]amino]ethoxy]ethoxy]-4-fluorophenyl]acetamide.

What is the SMILES notation for N-[4-[1-(cyclopropanecarbonyl)-2,3-dihydroindol-5-yl]-5-methyl-1,3-thiazol-2-yl]-2-[3-[2-[2-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]amino]ethoxy]ethoxy]-4-fluorophenyl]acetamide?

The canonical SMILES for N-[4-[1-(cyclopropanecarbonyl)-2,3-dihydroindol-5-yl]-5-methyl-1,3-thiazol-2-yl]-2-[3-[2-[2-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]amino]ethoxy]ethoxy]-4-fluorophenyl]acetamide is Cc1sc(NC(=O)Cc2ccc(F)c(OCCOCCNc3ccc4c(c3)CN(C3CCC(=O)NC3=O)C4=O)c2)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-[3-[2-[2-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]amino]ethoxy]ethoxy]-4-fluorophenyl]acetamide?

The InChIKey is MBYZQHOGNRCAIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C41H41FN6O7S/c1-23-37(27-5-9-32-26(20-27)12-14-47(32)39(52)25-3-4-25)46-41(56-23)45-36(50)19-24-2-8-31(42)34(18-24)55-17-16-54-15-13-43-29-6-7-30-28(21-29)22-48(40(30)53)33-10-11-35(49)44-38(33)51/h2,5-9,18,20-21,25,33,43H,3-4,10-17,19,22H2,1H3,(H,44,49,51)(H,45,46,50).

What are the key properties of N-[4-[1-(cyclopropanecarbonyl)-2,3-dihydroindol-5-yl]-5-methyl-1,3-thiazol-2-yl]-2-[3-[2-[2-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]amino]ethoxy]ethoxy]-4-fluorophenyl]acetamide?

N-[4-[1-(cyclopropanecarbonyl)-2,3-dihydroindol-5-yl]-5-methyl-1,3-thiazol-2-yl]-2-[3-[2-[2-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]amino]ethoxy]ethoxy]-4-fluorophenyl]acetamide has a molecular weight of 780.88 g/mol, XLogP of 5.01, 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-[3-[2-[2-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]amino]ethoxy]ethoxy]-4-fluorophenyl]acetamide is sourced from PubChem (CID 170705299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).