2-(6,7-dihydro-5H-pyrrolo[1,2-c]imidazol-1-yl)-2-[6-[6-[4-[2-[4-[5-[(2,6-dioxopiperidin-3-yl)amino]-2-pyridinyl]piperidin-1-yl]acetyl]piperazin-1-yl]-3-pyridinyl]-4-fluoroindazol-2-yl]-N-(1,3-thiazol-2-yl)acetamide

C44H46FN13O4S — CID 156505509

About 2-(6,7-dihydro-5H-pyrrolo[1,2-c]imidazol-1-yl)-2-[6-[6-[4-[2-[4-[5-[(2,6-dioxopiperidin-3-yl)amino]-2-pyridinyl]piperidin-1-yl]acetyl]piperazin-1-yl]-3-pyridinyl]-4-fluoroindazol-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-[4-[5-[(2,6-dioxopiperidin-3-yl)amino]-2-pyridinyl]piperidin-1-yl]acetyl]piperazin-1-yl]-3-pyridinyl]-4-fluoroindazol-2-yl]-N-(1,3-thiazol-2-yl)acetamide (PubChem CID 156505509) has the molecular formula C44H46FN13O4S and a molecular weight of 872.00 g/mol. Its IUPAC name is 2-(6,7-dihydro-5H-pyrrolo[1,2-c]imidazol-1-yl)-2-[6-[6-[4-[2-[4-[5-[(2,6-dioxopiperidin-3-yl)amino]-2-pyridinyl]piperidin-1-yl]acetyl]piperazin-1-yl]-3-pyridinyl]-4-fluoroindazol-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-[4-[5-[(2,6-dioxopiperidin-3-yl)amino]-2-pyridinyl]piperidin-1-yl]acetyl]piperazin-1-yl]-3-pyridinyl]-4-fluoroindazol-2-yl]-N-(1,3-thiazol-2-yl)acetamide
• PubChem CID: 156505509
• Molecular Formula: C44H46FN13O4S
• Molecular Weight: 872.00 g/mol
• Exact Mass: 871.35
• IUPAC Name: 2-(6,7-dihydro-5H-pyrrolo[1,2-c]imidazol-1-yl)-2-[6-[6-[4-[2-[4-[5-[(2,6-dioxopiperidin-3-yl)amino]-2-pyridinyl]piperidin-1-yl]acetyl]piperazin-1-yl]-3-pyridinyl]-4-fluoroindazol-2-yl]-N-(1,3-thiazol-2-yl)acetamide
• SMILES: O=C1CCC(Nc2ccc(C3CCN(CC(=O)N4CCN(c5ccc(-c6cc(F)c7cn(C(C(=O)Nc8nccs8)c8ncn9c8CCC9)nc7c6)cn5)CC4)CC3)nc2)C(=O)N1
• InChI: InChI=1S/C44H46FN13O4S/c45-32-20-29(21-35-31(32)24-58(53-35)41(43(62)52-44-46-11-19-63-44)40-36-2-1-12-57(36)26-49-40)28-3-7-37(48-22-28)55-15-17-56(18-16-55)39(60)25-54-13-9-27(10-14-54)33-5-4-30(23-47-33)50-34-6-8-38(59)51-42(34)61/h3-5,7,11,19-24,26-27,34,41,50H,1-2,6,8-10,12-18,25H2,(H,46,52,62)(H,51,59,61)
• InChIKey: JFXKRMLRAIICOP-UHFFFAOYSA-N
• XLogP: 4.20
• TPSA: 188.40 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 15
• Rotatable Bonds: 11
• Heavy Atoms: 63
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	872.00
LogP ≤ 5	4.20
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	15

Computed Properties (RDKit)

• Structural Alerts: {'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-[4-[5-[(2,6-dioxopiperidin-3-yl)amino]-2-pyridinyl]piperidin-1-yl]acetyl]piperazin-1-yl]-3-pyridinyl]-4-fluoroindazol-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-[4-[5-[(2,6-dioxopiperidin-3-yl)amino]-2-pyridinyl]piperidin-1-yl]acetyl]piperazin-1-yl]-3-pyridinyl]-4-fluoroindazol-2-yl]-N-(1,3-thiazol-2-yl)acetamide (CID 156505509) is 2-(6,7-dihydro-5H-pyrrolo[1,2-c]imidazol-1-yl)-2-[6-[6-[4-[2-[4-[5-[(2,6-dioxopiperidin-3-yl)amino]-2-pyridinyl]piperidin-1-yl]acetyl]piperazin-1-yl]-3-pyridinyl]-4-fluoroindazol-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-[4-[5-[(2,6-dioxopiperidin-3-yl)amino]-2-pyridinyl]piperidin-1-yl]acetyl]piperazin-1-yl]-3-pyridinyl]-4-fluoroindazol-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-[4-[5-[(2,6-dioxopiperidin-3-yl)amino]-2-pyridinyl]piperidin-1-yl]acetyl]piperazin-1-yl]-3-pyridinyl]-4-fluoroindazol-2-yl]-N-(1,3-thiazol-2-yl)acetamide is O=C1CCC(Nc2ccc(C3CCN(CC(=O)N4CCN(c5ccc(-c6cc(F)c7cn(C(C(=O)Nc8nccs8)c8ncn9c8CCC9)nc7c6)cn5)CC4)CC3)nc2)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-[4-[5-[(2,6-dioxopiperidin-3-yl)amino]-2-pyridinyl]piperidin-1-yl]acetyl]piperazin-1-yl]-3-pyridinyl]-4-fluoroindazol-2-yl]-N-(1,3-thiazol-2-yl)acetamide?

The InChIKey is JFXKRMLRAIICOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H46FN13O4S/c45-32-20-29(21-35-31(32)24-58(53-35)41(43(62)52-44-46-11-19-63-44)40-36-2-1-12-57(36)26-49-40)28-3-7-37(48-22-28)55-15-17-56(18-16-55)39(60)25-54-13-9-27(10-14-54)33-5-4-30(23-47-33)50-34-6-8-38(59)51-42(34)61/h3-5,7,11,19-24,26-27,34,41,50H,1-2,6,8-10,12-18,25H2,(H,46,52,62)(H,51,59,61).

What are the key properties of 2-(6,7-dihydro-5H-pyrrolo[1,2-c]imidazol-1-yl)-2-[6-[6-[4-[2-[4-[5-[(2,6-dioxopiperidin-3-yl)amino]-2-pyridinyl]piperidin-1-yl]acetyl]piperazin-1-yl]-3-pyridinyl]-4-fluoroindazol-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-[4-[5-[(2,6-dioxopiperidin-3-yl)amino]-2-pyridinyl]piperidin-1-yl]acetyl]piperazin-1-yl]-3-pyridinyl]-4-fluoroindazol-2-yl]-N-(1,3-thiazol-2-yl)acetamide has a molecular weight of 872.00 g/mol, XLogP of 4.20, 11 rotatable bonds, 3 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-[4-[5-[(2,6-dioxopiperidin-3-yl)amino]-2-pyridinyl]piperidin-1-yl]acetyl]piperazin-1-yl]-3-pyridinyl]-4-fluoroindazol-2-yl]-N-(1,3-thiazol-2-yl)acetamide is sourced from PubChem (CID 156505509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).