6-amino-3-[4-chloro-3'-(2-oxoimidazolidin-1-yl)spiro[1,2-dihydropyrrolo[2,3-b]pyridine-3,1'-cyclopentane]-5-yl]-2-fluoro-N,N-dimethylbenzamide

C23H26ClFN6O2 — CID 166034680

About 6-amino-3-[4-chloro-3'-(2-oxoimidazolidin-1-yl)spiro[1,2-dihydropyrrolo[2,3-b]pyridine-3,1'-cyclopentane]-5-yl]-2-fluoro-N,N-dimethylbenzamide

6-amino-3-[4-chloro-3'-(2-oxoimidazolidin-1-yl)spiro[1,2-dihydropyrrolo[2,3-b]pyridine-3,1'-cyclopentane]-5-yl]-2-fluoro-N,N-dimethylbenzamide (PubChem CID 166034680) has the molecular formula C23H26ClFN6O2 and a molecular weight of 472.95 g/mol. Its IUPAC name is 6-amino-3-[4-chloro-3'-(2-oxoimidazolidin-1-yl)spiro[1,2-dihydropyrrolo[2,3-b]pyridine-3,1'-cyclopentane]-5-yl]-2-fluoro-N,N-dimethylbenzamide.

Molecular Properties

• Compound Name: 6-amino-3-[4-chloro-3'-(2-oxoimidazolidin-1-yl)spiro[1,2-dihydropyrrolo[2,3-b]pyridine-3,1'-cyclopentane]-5-yl]-2-fluoro-N,N-dimethylbenzamide
• PubChem CID: 166034680
• Molecular Formula: C23H26ClFN6O2
• Molecular Weight: 472.95 g/mol
• Exact Mass: 472.18
• IUPAC Name: 6-amino-3-[4-chloro-3'-(2-oxoimidazolidin-1-yl)spiro[1,2-dihydropyrrolo[2,3-b]pyridine-3,1'-cyclopentane]-5-yl]-2-fluoro-N,N-dimethylbenzamide
• SMILES: CN(C)C(=O)c1c(N)ccc(-c2cnc3c(c2Cl)C2(CCC(N4CCNC4=O)C2)CN3)c1F
• InChI: InChI=1S/C23H26ClFN6O2/c1-30(2)21(32)16-15(26)4-3-13(19(16)25)14-10-28-20-17(18(14)24)23(11-29-20)6-5-12(9-23)31-8-7-27-22(31)33/h3-4,10,12H,5-9,11,26H2,1-2H3,(H,27,33)(H,28,29)
• InChIKey: FKQNWQNCCDGIJP-UHFFFAOYSA-N
• XLogP: 3.07
• TPSA: 103.59 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 5
• Rotatable Bonds: 3
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	472.95
LogP ≤ 5	3.07
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 6-amino-3-[4-chloro-3'-(2-oxoimidazolidin-1-yl)spiro[1,2-dihydropyrrolo[2,3-b]pyridine-3,1'-cyclopentane]-5-yl]-2-fluoro-N,N-dimethylbenzamide?

The IUPAC name of 6-amino-3-[4-chloro-3'-(2-oxoimidazolidin-1-yl)spiro[1,2-dihydropyrrolo[2,3-b]pyridine-3,1'-cyclopentane]-5-yl]-2-fluoro-N,N-dimethylbenzamide (CID 166034680) is 6-amino-3-[4-chloro-3'-(2-oxoimidazolidin-1-yl)spiro[1,2-dihydropyrrolo[2,3-b]pyridine-3,1'-cyclopentane]-5-yl]-2-fluoro-N,N-dimethylbenzamide.

What is the SMILES notation for 6-amino-3-[4-chloro-3'-(2-oxoimidazolidin-1-yl)spiro[1,2-dihydropyrrolo[2,3-b]pyridine-3,1'-cyclopentane]-5-yl]-2-fluoro-N,N-dimethylbenzamide?

The canonical SMILES for 6-amino-3-[4-chloro-3'-(2-oxoimidazolidin-1-yl)spiro[1,2-dihydropyrrolo[2,3-b]pyridine-3,1'-cyclopentane]-5-yl]-2-fluoro-N,N-dimethylbenzamide is CN(C)C(=O)c1c(N)ccc(-c2cnc3c(c2Cl)C2(CCC(N4CCNC4=O)C2)CN3)c1F.

What is the InChIKey of 6-amino-3-[4-chloro-3'-(2-oxoimidazolidin-1-yl)spiro[1,2-dihydropyrrolo[2,3-b]pyridine-3,1'-cyclopentane]-5-yl]-2-fluoro-N,N-dimethylbenzamide?

The InChIKey is FKQNWQNCCDGIJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26ClFN6O2/c1-30(2)21(32)16-15(26)4-3-13(19(16)25)14-10-28-20-17(18(14)24)23(11-29-20)6-5-12(9-23)31-8-7-27-22(31)33/h3-4,10,12H,5-9,11,26H2,1-2H3,(H,27,33)(H,28,29).

What are the key properties of 6-amino-3-[4-chloro-3'-(2-oxoimidazolidin-1-yl)spiro[1,2-dihydropyrrolo[2,3-b]pyridine-3,1'-cyclopentane]-5-yl]-2-fluoro-N,N-dimethylbenzamide?

6-amino-3-[4-chloro-3'-(2-oxoimidazolidin-1-yl)spiro[1,2-dihydropyrrolo[2,3-b]pyridine-3,1'-cyclopentane]-5-yl]-2-fluoro-N,N-dimethylbenzamide has a molecular weight of 472.95 g/mol, XLogP of 3.07, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 6-amino-3-[4-chloro-3'-(2-oxoimidazolidin-1-yl)spiro[1,2-dihydropyrrolo[2,3-b]pyridine-3,1'-cyclopentane]-5-yl]-2-fluoro-N,N-dimethylbenzamide is sourced from PubChem (CID 166034680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).