Ethyl 2-(6-bromo-4,7-dichloroindazol-2-yl)-2-[(6R)-6-fluoro-6,7-dihydro-5H-pyrrolo[1,2-c]imidazol-1-yl]acetate

C₁₇H₁₄BrCl₂FN₄O₂ — CID 155413977

About Ethyl 2-(6-bromo-4,7-dichloroindazol-2-yl)-2-[(6R)-6-fluoro-6,7-dihydro-5H-pyrrolo[1,2-c]imidazol-1-yl]acetate

Ethyl 2-(6-bromo-4,7-dichloroindazol-2-yl)-2-[(6R)-6-fluoro-6,7-dihydro-5H-pyrrolo[1,2-c]imidazol-1-yl]acetate (PubChem CID 155413977) has the molecular formula C₁₇H₁₄BrCl₂FN₄O₂ and a molecular weight of 476.13 g/mol. Its IUPAC name is ethyl 2-(6-bromo-4,7-dichloroindazol-2-yl)-2-[(6R)-6-fluoro-6,7-dihydro-5H-pyrrolo[1,2-c]imidazol-1-yl]acetate.

Molecular Properties

• Compound Name: Ethyl 2-(6-bromo-4,7-dichloroindazol-2-yl)-2-[(6R)-6-fluoro-6,7-dihydro-5H-pyrrolo[1,2-c]imidazol-1-yl]acetate
• PubChem CID: 155413977
• Molecular Formula: C₁₇H₁₄BrCl₂FN₄O₂
• Molecular Weight: 476.13 g/mol
• Exact Mass: 473.97
• IUPAC Name: ethyl 2-(6-bromo-4,7-dichloroindazol-2-yl)-2-[(6R)-6-fluoro-6,7-dihydro-5H-pyrrolo[1,2-c]imidazol-1-yl]acetate
• SMILES: CCOC(=O)C(c1ncn2c1C[C@@H](F)C2)n1cc2c(Cl)cc(Br)c(Cl)c2n1
• InChI: InChI=1S/C17H14BrCl2FN4O2/c1-2-27-17(26)16(15-12-3-8(21)5-24(12)7-22-15)25-6-9-11(19)4-10(18)13(20)14(9)23-25/h4,6-8,16H,2-3,5H2,1H3/t8-,16?/m1/s1
• InChIKey: CHWKMVPLDHNTPE-YRFRWJCTSA-N
• XLogP: 4.35
• TPSA: 61.94 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 4
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	476.13
LogP ≤ 5	4.35
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of Ethyl 2-(6-bromo-4,7-dichloroindazol-2-yl)-2-[(6R)-6-fluoro-6,7-dihydro-5H-pyrrolo[1,2-c]imidazol-1-yl]acetate?

The IUPAC name of Ethyl 2-(6-bromo-4,7-dichloroindazol-2-yl)-2-[(6R)-6-fluoro-6,7-dihydro-5H-pyrrolo[1,2-c]imidazol-1-yl]acetate (CID 155413977) is ethyl 2-(6-bromo-4,7-dichloroindazol-2-yl)-2-[(6R)-6-fluoro-6,7-dihydro-5H-pyrrolo[1,2-c]imidazol-1-yl]acetate.

What is the SMILES notation for Ethyl 2-(6-bromo-4,7-dichloroindazol-2-yl)-2-[(6R)-6-fluoro-6,7-dihydro-5H-pyrrolo[1,2-c]imidazol-1-yl]acetate?

The canonical SMILES for Ethyl 2-(6-bromo-4,7-dichloroindazol-2-yl)-2-[(6R)-6-fluoro-6,7-dihydro-5H-pyrrolo[1,2-c]imidazol-1-yl]acetate is CCOC(=O)C(c1ncn2c1C[C@@H](F)C2)n1cc2c(Cl)cc(Br)c(Cl)c2n1.

What is the InChIKey of Ethyl 2-(6-bromo-4,7-dichloroindazol-2-yl)-2-[(6R)-6-fluoro-6,7-dihydro-5H-pyrrolo[1,2-c]imidazol-1-yl]acetate?

The InChIKey is CHWKMVPLDHNTPE-YRFRWJCTSA-N. The full InChI is InChI=1S/C17H14BrCl2FN4O2/c1-2-27-17(26)16(15-12-3-8(21)5-24(12)7-22-15)25-6-9-11(19)4-10(18)13(20)14(9)23-25/h4,6-8,16H,2-3,5H2,1H3/t8-,16?/m1/s1.

What are the key properties of Ethyl 2-(6-bromo-4,7-dichloroindazol-2-yl)-2-[(6R)-6-fluoro-6,7-dihydro-5H-pyrrolo[1,2-c]imidazol-1-yl]acetate?

Ethyl 2-(6-bromo-4,7-dichloroindazol-2-yl)-2-[(6R)-6-fluoro-6,7-dihydro-5H-pyrrolo[1,2-c]imidazol-1-yl]acetate has a molecular weight of 476.13 g/mol, XLogP of 4.35, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for Ethyl 2-(6-bromo-4,7-dichloroindazol-2-yl)-2-[(6R)-6-fluoro-6,7-dihydro-5H-pyrrolo[1,2-c]imidazol-1-yl]acetate is sourced from PubChem (CID 155413977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 155413977 — identifiers, structure, computed properties (public domain)

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