2-[(6R)-6-fluoro-6,7-dihydro-5H-pyrrolo[1,2-c]imidazol-1-yl]ethyl 2-(7-fluoro-5-iodo-3-oxo-1H-isoindol-2-yl)acetate

C18H16F2IN3O3 — CID 175410818

IUPAC2-[(6R)-6-fluoro-6,7-dihydro-5H-pyrrolo[1,2-c]imidazol-1-yl]ethyl 2-(7-fluoro-5-iodo-3-oxo-1H-isoindol-2-yl)acetate
SMILESO=C(CN1Cc2c(F)cc(I)cc2C1=O)OCCc1ncn2c1C[C@@H](F)C2
InChIInChI=1S/C18H16F2IN3O3/c19-10-3-16-15(22-9-24(16)6-10)1-2-27-17(25)8-23-7-13-12(18(23)26)4-11(21)5-14(13)20/h4-5,9-10H,1-3,6-8H2/t10-/m1/s1
InChIKeyOJQJJTOJQJGJHM-SNVBAGLBSA-N
MW487.24 g/mol
LogP2.26
Rot. Bonds5

About 2-[(6R)-6-fluoro-6,7-dihydro-5H-pyrrolo[1,2-c]imidazol-1-yl]ethyl 2-(7-fluoro-5-iodo-3-oxo-1H-isoindol-2-yl)acetate

2-[(6R)-6-fluoro-6,7-dihydro-5H-pyrrolo[1,2-c]imidazol-1-yl]ethyl 2-(7-fluoro-5-iodo-3-oxo-1H-isoindol-2-yl)acetate (PubChem CID 175410818) has the molecular formula C18H16F2IN3O3 and a molecular weight of 487.24 g/mol. Its IUPAC name is 2-[(6R)-6-fluoro-6,7-dihydro-5H-pyrrolo[1,2-c]imidazol-1-yl]ethyl 2-(7-fluoro-5-iodo-3-oxo-1H-isoindol-2-yl)acetate.

Molecular Properties

Compound Name2-[(6R)-6-fluoro-6,7-dihydro-5H-pyrrolo[1,2-c]imidazol-1-yl]ethyl 2-(7-fluoro-5-iodo-3-oxo-1H-isoindol-2-yl)acetate
PubChem CID175410818
Molecular FormulaC18H16F2IN3O3
Molecular Weight487.24 g/mol
Exact Mass487.02
IUPAC Name2-[(6R)-6-fluoro-6,7-dihydro-5H-pyrrolo[1,2-c]imidazol-1-yl]ethyl 2-(7-fluoro-5-iodo-3-oxo-1H-isoindol-2-yl)acetate
SMILESO=C(CN1Cc2c(F)cc(I)cc2C1=O)OCCc1ncn2c1C[C@@H](F)C2
InChIInChI=1S/C18H16F2IN3O3/c19-10-3-16-15(22-9-24(16)6-10)1-2-27-17(25)8-23-7-13-12(18(23)26)4-11(21)5-14(13)20/h4-5,9-10H,1-3,6-8H2/t10-/m1/s1
InChIKeyOJQJJTOJQJGJHM-SNVBAGLBSA-N
XLogP2.26
TPSA64.43 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500487.24
LogP ≤ 52.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 2-[(6R)-6-fluoro-6,7-dihydro-5H-pyrrolo[1,2-c]imidazol-1-yl]ethyl 2-(7-fluoro-5-iodo-3-oxo-1H-isoindol-2-yl)acetate with MolForge

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Related Compounds

2-[(6R)-6-fluoro-6,7-dihydro-5H-pyrrolo[1,2-c]imidazol-1-yl]-2-(7-fluoro-5-iodo-3-oxo-1H-isoindol-2-yl)butanoic acid
CID 175410820
ethyl 2-[(6R)-6-fluoro-6,7-dihydro-5H-pyrrolo[1,2-c]imidazol-1-yl]-2-(hydroxyamino)acetate
CID 163658912
N,N-diethyl-2-[7-fluoro-3-oxo-5-[(3R)-2-oxo-3-[(6-propoxy-3-pyridinyl)oxy]pyrrolidin-1-yl]-1H-isoindol-2-yl]acetamide
CID 135191088
(2,3,4,5,6-pentafluorophenyl) 2-(3-oxo-1H-isoindol-2-yl)acetate
CID 87806330
2-[6-[(4-fluorophenyl)methoxy]-3-oxo-1H-isoindol-2-yl]acetamide
CID 10018501
ethyl 2-(7-fluoro-5-methyl-3-oxo-1H-isoindol-2-yl)-2-(1-methyl-5-propylimidazol-4-yl)acetate
CID 156798747
[2-[6-bromo-4-(difluoromethyl)-7-methylindazol-2-yl]-2-[(6R)-6-fluoro-6,7-dihydro-5H-pyrrolo[1,2-c]imidazol-1-yl]ethyl] acetate
CID 175909216
6-[(3R)-3-[[6-(2-cyclopropylethoxy)-3-pyridinyl]oxy]-2-oxopyrrolidin-1-yl]-4-fluoro-2-(2-oxobutyl)-3H-isoindol-1-one
CID 135190929
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
6-[(3R)-3-[(6-ethoxy-3-pyridinyl)oxy]-2-oxopyrrolidin-1-yl]-4-fluoro-2-(2-oxo-2-pyrrolidin-1-ylethyl)-3H-isoindol-1-one
CID 118418279
2-[5-[4-[4-[2-[1-[4-[[(3S)-2,6-dioxopiperidin-3-yl]amino]-2-fluorophenyl]-4-hydroxypiperidin-4-yl]acetyl]piperazin-1-yl]phenyl]-7-fluoro-3-oxo-1H-isoindol-2-yl]-2-[(6R)-6-fluoro-6,7-dihydro-5H-pyrrolo[1,2-c]imidazol-1-yl]-N-(1,3-thiazol-2-yl)acetamide
CID 156515858
2-[5-[(3R)-3-[[6-(cyclopropylmethoxy)-3-pyridinyl]oxy]-2-oxopyrrolidin-1-yl]-7-fluoro-3-oxo-1H-isoindol-2-yl]-N,N-dimethylacetamide
CID 126482608

Frequently Asked Questions

What is the IUPAC name of 2-[(6R)-6-fluoro-6,7-dihydro-5H-pyrrolo[1,2-c]imidazol-1-yl]ethyl 2-(7-fluoro-5-iodo-3-oxo-1H-isoindol-2-yl)acetate?
The IUPAC name of 2-[(6R)-6-fluoro-6,7-dihydro-5H-pyrrolo[1,2-c]imidazol-1-yl]ethyl 2-(7-fluoro-5-iodo-3-oxo-1H-isoindol-2-yl)acetate (CID 175410818) is 2-[(6R)-6-fluoro-6,7-dihydro-5H-pyrrolo[1,2-c]imidazol-1-yl]ethyl 2-(7-fluoro-5-iodo-3-oxo-1H-isoindol-2-yl)acetate.
What is the SMILES notation for 2-[(6R)-6-fluoro-6,7-dihydro-5H-pyrrolo[1,2-c]imidazol-1-yl]ethyl 2-(7-fluoro-5-iodo-3-oxo-1H-isoindol-2-yl)acetate?
The canonical SMILES for 2-[(6R)-6-fluoro-6,7-dihydro-5H-pyrrolo[1,2-c]imidazol-1-yl]ethyl 2-(7-fluoro-5-iodo-3-oxo-1H-isoindol-2-yl)acetate is O=C(CN1Cc2c(F)cc(I)cc2C1=O)OCCc1ncn2c1C[C@@H](F)C2.
What is the InChIKey of 2-[(6R)-6-fluoro-6,7-dihydro-5H-pyrrolo[1,2-c]imidazol-1-yl]ethyl 2-(7-fluoro-5-iodo-3-oxo-1H-isoindol-2-yl)acetate?
The InChIKey is OJQJJTOJQJGJHM-SNVBAGLBSA-N. The full InChI is InChI=1S/C18H16F2IN3O3/c19-10-3-16-15(22-9-24(16)6-10)1-2-27-17(25)8-23-7-13-12(18(23)26)4-11(21)5-14(13)20/h4-5,9-10H,1-3,6-8H2/t10-/m1/s1.
What are the key properties of 2-[(6R)-6-fluoro-6,7-dihydro-5H-pyrrolo[1,2-c]imidazol-1-yl]ethyl 2-(7-fluoro-5-iodo-3-oxo-1H-isoindol-2-yl)acetate?
2-[(6R)-6-fluoro-6,7-dihydro-5H-pyrrolo[1,2-c]imidazol-1-yl]ethyl 2-(7-fluoro-5-iodo-3-oxo-1H-isoindol-2-yl)acetate has a molecular weight of 487.24 g/mol, XLogP of 2.26, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(6R)-6-fluoro-6,7-dihydro-5H-pyrrolo[1,2-c]imidazol-1-yl]ethyl 2-(7-fluoro-5-iodo-3-oxo-1H-isoindol-2-yl)acetate is sourced from PubChem (CID 175410818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).