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

IUPACethyl 2-(6-bromo-4,7-dichloroindazol-2-yl)-2-[(6R)-6-fluoro-6,7-dihydro-5H-pyrrolo[1,2-c]imidazol-1-yl]acetate
SMILESCCOC(=O)C(c1ncn2c1C[C@@H](F)C2)n1cc2c(Cl)cc(Br)c(Cl)c2n1
InChIInChI=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
InChIKeyCHWKMVPLDHNTPE-YRFRWJCTSA-N
MW476.13 g/mol
LogP4.35
Rot. Bonds4

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 Nameethyl 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 CID155413977
Molecular FormulaC17H14BrCl2FN4O2
Molecular Weight476.13 g/mol
Exact Mass473.97
IUPAC Nameethyl 2-(6-bromo-4,7-dichloroindazol-2-yl)-2-[(6R)-6-fluoro-6,7-dihydro-5H-pyrrolo[1,2-c]imidazol-1-yl]acetate
SMILESCCOC(=O)C(c1ncn2c1C[C@@H](F)C2)n1cc2c(Cl)cc(Br)c(Cl)c2n1
InChIInChI=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
InChIKeyCHWKMVPLDHNTPE-YRFRWJCTSA-N
XLogP4.35
TPSA61.94 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500476.13
LogP ≤ 54.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 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 with MolForge

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Related Compounds

ethyl 2-(6-bromo-4,7-dimethylindazol-2-yl)-2-(6-fluoro-6,7-dihydro-5H-pyrrolo[1,2-c]imidazol-1-yl)acetate
CID 155414220
ethyl 2-[4,7-dichloro-6-(2-morpholin-4-ylpyrimidin-5-yl)indazol-2-yl]-2-(6-fluoro-6,7-dihydro-5H-pyrrolo[1,2-c]imidazol-1-yl)acetate
CID 155414594
ethyl 2-[6-[4-[(3aS,6aR)-2-ethyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-5-yl]phenyl]-4,7-dichloroindazol-2-yl]-2-[(6R)-6-fluoro-6,7-dihydro-5H-pyrrolo[1,2-c]imidazol-1-yl]acetate
CID 155413083
ethyl 2-[6-[4-[4-[tert-butyl(dimethyl)silyl]oxypiperidin-1-yl]phenyl]-4,7-dichloroindazol-2-yl]-2-[(6R)-6-fluoro-6,7-dihydro-5H-pyrrolo[1,2-c]imidazol-1-yl]acetate
CID 164945890
ethyl 2-[7-chloro-6-[4-[2-[4-(hydroxymethyl)piperidin-1-yl]ethoxy]phenyl]-4-methylindazol-2-yl]-2-[(6R)-6-fluoro-6,7-dihydro-5H-pyrrolo[1,2-c]imidazol-1-yl]acetate
CID 164945954
ethyl 2-[7-chloro-6-[4-[1-(2-methoxyethyl)piperidin-4-yl]phenyl]-4-methylindazol-2-yl]-2-[(6R)-6-fluoro-6,7-dihydro-5H-pyrrolo[1,2-c]imidazol-1-yl]acetate
CID 164945893
ethyl 2-[4-(difluoromethyl)-7-methyl-6-(6-morpholin-4-yl-3-pyridinyl)indazol-2-yl]-2-[(6R)-6-fluoro-6,7-dihydro-5H-pyrrolo[1,2-c]imidazol-1-yl]acetate
CID 163388586
ethyl 2-[(6R)-6-fluoro-6,7-dihydro-5H-pyrrolo[1,2-c]imidazol-1-yl]-2-(hydroxyamino)acetate
CID 163658912
2-[4,7-dichloro-6-[4-(1-ethylazetidin-3-yl)phenyl]indazol-2-yl]-2-(6-fluoro-6,7-dihydro-5H-pyrrolo[1,2-c]imidazol-1-yl)-N-(1,3-thiazol-2-yl)acetamide
CID 155414401
2-[4,7-dichloro-6-[4-[2-[3-(1-hydroxyethyl)azetidin-1-yl]ethyl]phenyl]indazol-2-yl]-2-[(6R)-6-fluoro-6,7-dihydro-5H-pyrrolo[1,2-c]imidazol-1-yl]acetic acid
CID 155414039
2-[4-[4,7-dichloro-2-[1-(6-fluoro-6,7-dihydro-5H-pyrrolo[1,2-c]imidazol-1-yl)-2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]indazol-6-yl]-2-ethylphenoxy]ethylcarbamic acid
CID 155414024
ethyl 2-(6-bromo-4-chloro-7-methoxyindazol-2-yl)-2-(6-fluoro-3-sulfanyl-3,5,6,7-tetrahydro-2H-pyrrolo[1,2-c]imidazol-1-yl)acetate
CID 175592684

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).