2-(6,7-dihydro-5H-pyrrolo[1,2-c]imidazol-1-yl)-2-[6-[6-[4-[2-[1-[4-[[(3R)-2,6-dioxopiperidin-3-yl]amino]-2-fluorophenyl]-4-hydroxypiperidin-4-yl]acetyl]piperazin-1-yl]-3-pyridinyl]-4-fluoro-1-hydroxy-1,3-dihydroisoindol-2-yl]-N-(1,3-thiazol-2-yl)acetamide

C46H49F2N11O6S — CID 156798800

About 2-(6,7-dihydro-5H-pyrrolo[1,2-c]imidazol-1-yl)-2-[6-[6-[4-[2-[1-[4-[[(3R)-2,6-dioxopiperidin-3-yl]amino]-2-fluorophenyl]-4-hydroxypiperidin-4-yl]acetyl]piperazin-1-yl]-3-pyridinyl]-4-fluoro-1-hydroxy-1,3-dihydroisoindol-2-yl]-N-(1,3-thiazol-2-yl)acetamide

2-(6,7-dihydro-5H-pyrrolo[1,2-c]imidazol-1-yl)-2-[6-[6-[4-[2-[1-[4-[[(3R)-2,6-dioxopiperidin-3-yl]amino]-2-fluorophenyl]-4-hydroxypiperidin-4-yl]acetyl]piperazin-1-yl]-3-pyridinyl]-4-fluoro-1-hydroxy-1,3-dihydroisoindol-2-yl]-N-(1,3-thiazol-2-yl)acetamide (PubChem CID 156798800) has the molecular formula C46H49F2N11O6S and a molecular weight of 922.03 g/mol. Its IUPAC name is 2-(6,7-dihydro-5H-pyrrolo[1,2-c]imidazol-1-yl)-2-[6-[6-[4-[2-[1-[4-[[(3R)-2,6-dioxopiperidin-3-yl]amino]-2-fluorophenyl]-4-hydroxypiperidin-4-yl]acetyl]piperazin-1-yl]-3-pyridinyl]-4-fluoro-1-hydroxy-1,3-dihydroisoindol-2-yl]-N-(1,3-thiazol-2-yl)acetamide.

Molecular Properties

• Compound Name: 2-(6,7-dihydro-5H-pyrrolo[1,2-c]imidazol-1-yl)-2-[6-[6-[4-[2-[1-[4-[[(3R)-2,6-dioxopiperidin-3-yl]amino]-2-fluorophenyl]-4-hydroxypiperidin-4-yl]acetyl]piperazin-1-yl]-3-pyridinyl]-4-fluoro-1-hydroxy-1,3-dihydroisoindol-2-yl]-N-(1,3-thiazol-2-yl)acetamide
• PubChem CID: 156798800
• Molecular Formula: C46H49F2N11O6S
• Molecular Weight: 922.03 g/mol
• Exact Mass: 921.36
• IUPAC Name: 2-(6,7-dihydro-5H-pyrrolo[1,2-c]imidazol-1-yl)-2-[6-[6-[4-[2-[1-[4-[[(3R)-2,6-dioxopiperidin-3-yl]amino]-2-fluorophenyl]-4-hydroxypiperidin-4-yl]acetyl]piperazin-1-yl]-3-pyridinyl]-4-fluoro-1-hydroxy-1,3-dihydroisoindol-2-yl]-N-(1,3-thiazol-2-yl)acetamide
• SMILES: O=C1CC[C@@H](Nc2ccc(N3CCC(O)(CC(=O)N4CCN(c5ccc(-c6cc(F)c7c(c6)C(O)N(C(C(=O)Nc6nccs6)c6ncn8c6CCC8)C7)cn5)CC4)CC3)c(F)c2)C(=O)N1
• InChI: InChI=1S/C46H49F2N11O6S/c47-32-21-28(20-30-31(32)25-59(44(30)64)41(43(63)54-45-49-11-19-66-45)40-36-2-1-12-58(36)26-51-40)27-3-7-37(50-24-27)56-15-17-57(18-16-56)39(61)23-46(65)9-13-55(14-10-46)35-6-4-29(22-33(35)48)52-34-5-8-38(60)53-42(34)62/h3-4,6-7,11,19-22,24,26,34,41,44,52,64-65H,1-2,5,8-10,12-18,23,25H2,(H,49,54,63)(H,53,60,62)/t34-,41?,44?/m1/s1
• InChIKey: PPKZXULGGLVRIT-ZKWTWNBFSA-N
• XLogP: 4.10
• TPSA: 201.39 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 15
• Rotatable Bonds: 11
• Heavy Atoms: 66
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	922.03
LogP ≤ 5	4.10
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	15

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-(6,7-dihydro-5H-pyrrolo[1,2-c]imidazol-1-yl)-2-[6-[6-[4-[2-[1-[4-[[(3R)-2,6-dioxopiperidin-3-yl]amino]-2-fluorophenyl]-4-hydroxypiperidin-4-yl]acetyl]piperazin-1-yl]-3-pyridinyl]-4-fluoro-1-hydroxy-1,3-dihydroisoindol-2-yl]-N-(1,3-thiazol-2-yl)acetamide?

The IUPAC name of 2-(6,7-dihydro-5H-pyrrolo[1,2-c]imidazol-1-yl)-2-[6-[6-[4-[2-[1-[4-[[(3R)-2,6-dioxopiperidin-3-yl]amino]-2-fluorophenyl]-4-hydroxypiperidin-4-yl]acetyl]piperazin-1-yl]-3-pyridinyl]-4-fluoro-1-hydroxy-1,3-dihydroisoindol-2-yl]-N-(1,3-thiazol-2-yl)acetamide (CID 156798800) is 2-(6,7-dihydro-5H-pyrrolo[1,2-c]imidazol-1-yl)-2-[6-[6-[4-[2-[1-[4-[[(3R)-2,6-dioxopiperidin-3-yl]amino]-2-fluorophenyl]-4-hydroxypiperidin-4-yl]acetyl]piperazin-1-yl]-3-pyridinyl]-4-fluoro-1-hydroxy-1,3-dihydroisoindol-2-yl]-N-(1,3-thiazol-2-yl)acetamide.

What is the SMILES notation for 2-(6,7-dihydro-5H-pyrrolo[1,2-c]imidazol-1-yl)-2-[6-[6-[4-[2-[1-[4-[[(3R)-2,6-dioxopiperidin-3-yl]amino]-2-fluorophenyl]-4-hydroxypiperidin-4-yl]acetyl]piperazin-1-yl]-3-pyridinyl]-4-fluoro-1-hydroxy-1,3-dihydroisoindol-2-yl]-N-(1,3-thiazol-2-yl)acetamide?

The canonical SMILES for 2-(6,7-dihydro-5H-pyrrolo[1,2-c]imidazol-1-yl)-2-[6-[6-[4-[2-[1-[4-[[(3R)-2,6-dioxopiperidin-3-yl]amino]-2-fluorophenyl]-4-hydroxypiperidin-4-yl]acetyl]piperazin-1-yl]-3-pyridinyl]-4-fluoro-1-hydroxy-1,3-dihydroisoindol-2-yl]-N-(1,3-thiazol-2-yl)acetamide is O=C1CC[C@@H](Nc2ccc(N3CCC(O)(CC(=O)N4CCN(c5ccc(-c6cc(F)c7c(c6)C(O)N(C(C(=O)Nc6nccs6)c6ncn8c6CCC8)C7)cn5)CC4)CC3)c(F)c2)C(=O)N1.

What is the InChIKey of 2-(6,7-dihydro-5H-pyrrolo[1,2-c]imidazol-1-yl)-2-[6-[6-[4-[2-[1-[4-[[(3R)-2,6-dioxopiperidin-3-yl]amino]-2-fluorophenyl]-4-hydroxypiperidin-4-yl]acetyl]piperazin-1-yl]-3-pyridinyl]-4-fluoro-1-hydroxy-1,3-dihydroisoindol-2-yl]-N-(1,3-thiazol-2-yl)acetamide?

The InChIKey is PPKZXULGGLVRIT-ZKWTWNBFSA-N. The full InChI is InChI=1S/C46H49F2N11O6S/c47-32-21-28(20-30-31(32)25-59(44(30)64)41(43(63)54-45-49-11-19-66-45)40-36-2-1-12-58(36)26-51-40)27-3-7-37(50-24-27)56-15-17-57(18-16-56)39(61)23-46(65)9-13-55(14-10-46)35-6-4-29(22-33(35)48)52-34-5-8-38(60)53-42(34)62/h3-4,6-7,11,19-22,24,26,34,41,44,52,64-65H,1-2,5,8-10,12-18,23,25H2,(H,49,54,63)(H,53,60,62)/t34-,41?,44?/m1/s1.

What are the key properties of 2-(6,7-dihydro-5H-pyrrolo[1,2-c]imidazol-1-yl)-2-[6-[6-[4-[2-[1-[4-[[(3R)-2,6-dioxopiperidin-3-yl]amino]-2-fluorophenyl]-4-hydroxypiperidin-4-yl]acetyl]piperazin-1-yl]-3-pyridinyl]-4-fluoro-1-hydroxy-1,3-dihydroisoindol-2-yl]-N-(1,3-thiazol-2-yl)acetamide?

2-(6,7-dihydro-5H-pyrrolo[1,2-c]imidazol-1-yl)-2-[6-[6-[4-[2-[1-[4-[[(3R)-2,6-dioxopiperidin-3-yl]amino]-2-fluorophenyl]-4-hydroxypiperidin-4-yl]acetyl]piperazin-1-yl]-3-pyridinyl]-4-fluoro-1-hydroxy-1,3-dihydroisoindol-2-yl]-N-(1,3-thiazol-2-yl)acetamide has a molecular weight of 922.03 g/mol, XLogP of 4.10, 11 rotatable bonds, 5 hydrogen bond donors, and 15 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(6,7-dihydro-5H-pyrrolo[1,2-c]imidazol-1-yl)-2-[6-[6-[4-[2-[1-[4-[[(3R)-2,6-dioxopiperidin-3-yl]amino]-2-fluorophenyl]-4-hydroxypiperidin-4-yl]acetyl]piperazin-1-yl]-3-pyridinyl]-4-fluoro-1-hydroxy-1,3-dihydroisoindol-2-yl]-N-(1,3-thiazol-2-yl)acetamide is sourced from PubChem (CID 156798800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).