(2R)-2-(6,7-dihydro-5H-pyrrolo[1,2-c]imidazol-1-yl)-2-[5-[4-[4-[2-[4-[4-[[(3R)-2,6-dioxopiperidin-3-yl]amino]phenyl]cyclohexyl]acetyl]piperazin-1-yl]phenyl]-7-fluoro-3-oxo-1H-isoindol-2-yl]-N-(1,3-thiazol-2-yl)acetamide

C48H50FN9O5S — CID 175797015

About (2R)-2-(6,7-dihydro-5H-pyrrolo[1,2-c]imidazol-1-yl)-2-[5-[4-[4-[2-[4-[4-[[(3R)-2,6-dioxopiperidin-3-yl]amino]phenyl]cyclohexyl]acetyl]piperazin-1-yl]phenyl]-7-fluoro-3-oxo-1H-isoindol-2-yl]-N-(1,3-thiazol-2-yl)acetamide

(2R)-2-(6,7-dihydro-5H-pyrrolo[1,2-c]imidazol-1-yl)-2-[5-[4-[4-[2-[4-[4-[[(3R)-2,6-dioxopiperidin-3-yl]amino]phenyl]cyclohexyl]acetyl]piperazin-1-yl]phenyl]-7-fluoro-3-oxo-1H-isoindol-2-yl]-N-(1,3-thiazol-2-yl)acetamide (PubChem CID 175797015) has the molecular formula C48H50FN9O5S and a molecular weight of 884.05 g/mol. Its IUPAC name is (2R)-2-(6,7-dihydro-5H-pyrrolo[1,2-c]imidazol-1-yl)-2-[5-[4-[4-[2-[4-[4-[[(3R)-2,6-dioxopiperidin-3-yl]amino]phenyl]cyclohexyl]acetyl]piperazin-1-yl]phenyl]-7-fluoro-3-oxo-1H-isoindol-2-yl]-N-(1,3-thiazol-2-yl)acetamide.

Molecular Properties

• Compound Name: (2R)-2-(6,7-dihydro-5H-pyrrolo[1,2-c]imidazol-1-yl)-2-[5-[4-[4-[2-[4-[4-[[(3R)-2,6-dioxopiperidin-3-yl]amino]phenyl]cyclohexyl]acetyl]piperazin-1-yl]phenyl]-7-fluoro-3-oxo-1H-isoindol-2-yl]-N-(1,3-thiazol-2-yl)acetamide
• PubChem CID: 175797015
• Molecular Formula: C48H50FN9O5S
• Molecular Weight: 884.05 g/mol
• Exact Mass: 883.36
• IUPAC Name: (2R)-2-(6,7-dihydro-5H-pyrrolo[1,2-c]imidazol-1-yl)-2-[5-[4-[4-[2-[4-[4-[[(3R)-2,6-dioxopiperidin-3-yl]amino]phenyl]cyclohexyl]acetyl]piperazin-1-yl]phenyl]-7-fluoro-3-oxo-1H-isoindol-2-yl]-N-(1,3-thiazol-2-yl)acetamide
• SMILES: O=C1CC[C@@H](Nc2ccc(C3CCC(CC(=O)N4CCN(c5ccc(-c6cc(F)c7c(c6)C(=O)N([C@@H](C(=O)Nc6nccs6)c6ncn8c6CCC8)C7)cc5)CC4)CC3)cc2)C(=O)N1
• InChI: InChI=1S/C48H50FN9O5S/c49-38-26-33(25-36-37(38)27-58(47(36)63)44(46(62)54-48-50-17-23-64-48)43-40-2-1-18-57(40)28-51-43)32-9-13-35(14-10-32)55-19-21-56(22-20-55)42(60)24-29-3-5-30(6-4-29)31-7-11-34(12-8-31)52-39-15-16-41(59)53-45(39)61/h7-14,17,23,25-26,28-30,39,44,52H,1-6,15-16,18-22,24,27H2,(H,50,54,62)(H,53,59,61)/t29?,30?,39-,44-/m1/s1
• InChIKey: TZMGLJVOZNBBNA-ZDFSKCRTSA-N
• XLogP: 6.66
• TPSA: 161.87 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 11
• Rotatable Bonds: 11
• Heavy Atoms: 64
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	884.05
LogP ≤ 5	6.66
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	11

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(6,7-dihydro-5H-pyrrolo[1,2-c]imidazol-1-yl)-2-[5-[4-[4-[2-[4-[4-[[(3R)-2,6-dioxopiperidin-3-yl]amino]phenyl]cyclohexyl]acetyl]piperazin-1-yl]phenyl]-7-fluoro-3-oxo-1H-isoindol-2-yl]-N-(1,3-thiazol-2-yl)acetamide?

The IUPAC name of (2R)-2-(6,7-dihydro-5H-pyrrolo[1,2-c]imidazol-1-yl)-2-[5-[4-[4-[2-[4-[4-[[(3R)-2,6-dioxopiperidin-3-yl]amino]phenyl]cyclohexyl]acetyl]piperazin-1-yl]phenyl]-7-fluoro-3-oxo-1H-isoindol-2-yl]-N-(1,3-thiazol-2-yl)acetamide (CID 175797015) is (2R)-2-(6,7-dihydro-5H-pyrrolo[1,2-c]imidazol-1-yl)-2-[5-[4-[4-[2-[4-[4-[[(3R)-2,6-dioxopiperidin-3-yl]amino]phenyl]cyclohexyl]acetyl]piperazin-1-yl]phenyl]-7-fluoro-3-oxo-1H-isoindol-2-yl]-N-(1,3-thiazol-2-yl)acetamide.

What is the SMILES notation for (2R)-2-(6,7-dihydro-5H-pyrrolo[1,2-c]imidazol-1-yl)-2-[5-[4-[4-[2-[4-[4-[[(3R)-2,6-dioxopiperidin-3-yl]amino]phenyl]cyclohexyl]acetyl]piperazin-1-yl]phenyl]-7-fluoro-3-oxo-1H-isoindol-2-yl]-N-(1,3-thiazol-2-yl)acetamide?

The canonical SMILES for (2R)-2-(6,7-dihydro-5H-pyrrolo[1,2-c]imidazol-1-yl)-2-[5-[4-[4-[2-[4-[4-[[(3R)-2,6-dioxopiperidin-3-yl]amino]phenyl]cyclohexyl]acetyl]piperazin-1-yl]phenyl]-7-fluoro-3-oxo-1H-isoindol-2-yl]-N-(1,3-thiazol-2-yl)acetamide is O=C1CC[C@@H](Nc2ccc(C3CCC(CC(=O)N4CCN(c5ccc(-c6cc(F)c7c(c6)C(=O)N([C@@H](C(=O)Nc6nccs6)c6ncn8c6CCC8)C7)cc5)CC4)CC3)cc2)C(=O)N1.

What is the InChIKey of (2R)-2-(6,7-dihydro-5H-pyrrolo[1,2-c]imidazol-1-yl)-2-[5-[4-[4-[2-[4-[4-[[(3R)-2,6-dioxopiperidin-3-yl]amino]phenyl]cyclohexyl]acetyl]piperazin-1-yl]phenyl]-7-fluoro-3-oxo-1H-isoindol-2-yl]-N-(1,3-thiazol-2-yl)acetamide?

The InChIKey is TZMGLJVOZNBBNA-ZDFSKCRTSA-N. The full InChI is InChI=1S/C48H50FN9O5S/c49-38-26-33(25-36-37(38)27-58(47(36)63)44(46(62)54-48-50-17-23-64-48)43-40-2-1-18-57(40)28-51-43)32-9-13-35(14-10-32)55-19-21-56(22-20-55)42(60)24-29-3-5-30(6-4-29)31-7-11-34(12-8-31)52-39-15-16-41(59)53-45(39)61/h7-14,17,23,25-26,28-30,39,44,52H,1-6,15-16,18-22,24,27H2,(H,50,54,62)(H,53,59,61)/t29?,30?,39-,44-/m1/s1.

What are the key properties of (2R)-2-(6,7-dihydro-5H-pyrrolo[1,2-c]imidazol-1-yl)-2-[5-[4-[4-[2-[4-[4-[[(3R)-2,6-dioxopiperidin-3-yl]amino]phenyl]cyclohexyl]acetyl]piperazin-1-yl]phenyl]-7-fluoro-3-oxo-1H-isoindol-2-yl]-N-(1,3-thiazol-2-yl)acetamide?

(2R)-2-(6,7-dihydro-5H-pyrrolo[1,2-c]imidazol-1-yl)-2-[5-[4-[4-[2-[4-[4-[[(3R)-2,6-dioxopiperidin-3-yl]amino]phenyl]cyclohexyl]acetyl]piperazin-1-yl]phenyl]-7-fluoro-3-oxo-1H-isoindol-2-yl]-N-(1,3-thiazol-2-yl)acetamide has a molecular weight of 884.05 g/mol, XLogP of 6.66, 11 rotatable bonds, 3 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for (2R)-2-(6,7-dihydro-5H-pyrrolo[1,2-c]imidazol-1-yl)-2-[5-[4-[4-[2-[4-[4-[[(3R)-2,6-dioxopiperidin-3-yl]amino]phenyl]cyclohexyl]acetyl]piperazin-1-yl]phenyl]-7-fluoro-3-oxo-1H-isoindol-2-yl]-N-(1,3-thiazol-2-yl)acetamide is sourced from PubChem (CID 175797015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).