(5S)-7-fluoro-2-(4-fluoroimidazol-1-yl)-5-phenyl-6,7-dihydro-5H-pyrrolo[1,2-b][1,2,4]triazole

C14H11F2N5 — CID 138543216

IUPAC(5S)-7-fluoro-2-(4-fluoroimidazol-1-yl)-5-phenyl-6,7-dihydro-5H-pyrrolo[1,2-b][1,2,4]triazole
SMILESFc1cn(-c2nc3n(n2)[C@H](c2ccccc2)CC3F)cn1
InChIInChI=1S/C14H11F2N5/c15-10-6-11(9-4-2-1-3-5-9)21-13(10)18-14(19-21)20-7-12(16)17-8-20/h1-5,7-8,10-11H,6H2/t10?,11-/m0/s1
InChIKeyZJSLXLZEVNZLOX-DTIOYNMSSA-N
MW287.27 g/mol
LogP2.61
Rot. Bonds2

About (5S)-7-fluoro-2-(4-fluoroimidazol-1-yl)-5-phenyl-6,7-dihydro-5H-pyrrolo[1,2-b][1,2,4]triazole

(5S)-7-fluoro-2-(4-fluoroimidazol-1-yl)-5-phenyl-6,7-dihydro-5H-pyrrolo[1,2-b][1,2,4]triazole (PubChem CID 138543216) has the molecular formula C14H11F2N5 and a molecular weight of 287.27 g/mol. Its IUPAC name is (5S)-7-fluoro-2-(4-fluoroimidazol-1-yl)-5-phenyl-6,7-dihydro-5H-pyrrolo[1,2-b][1,2,4]triazole.

Molecular Properties

Compound Name(5S)-7-fluoro-2-(4-fluoroimidazol-1-yl)-5-phenyl-6,7-dihydro-5H-pyrrolo[1,2-b][1,2,4]triazole
PubChem CID138543216
Molecular FormulaC14H11F2N5
Molecular Weight287.27 g/mol
Exact Mass287.10
IUPAC Name(5S)-7-fluoro-2-(4-fluoroimidazol-1-yl)-5-phenyl-6,7-dihydro-5H-pyrrolo[1,2-b][1,2,4]triazole
SMILESFc1cn(-c2nc3n(n2)[C@H](c2ccccc2)CC3F)cn1
InChIInChI=1S/C14H11F2N5/c15-10-6-11(9-4-2-1-3-5-9)21-13(10)18-14(19-21)20-7-12(16)17-8-20/h1-5,7-8,10-11H,6H2/t10?,11-/m0/s1
InChIKeyZJSLXLZEVNZLOX-DTIOYNMSSA-N
XLogP2.61
TPSA48.53 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.27
LogP ≤ 52.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(5S,7S)-2-(4-fluoroimidazol-1-yl)-7-methyl-5-phenyl-6,7-dihydro-5H-pyrrolo[1,2-b][1,2,4]triazole
CID 163774332
(5S,7S)-7-fluoro-2-imidazol-1-yl-5-phenyl-6,7-dihydro-5H-pyrrolo[1,2-b][1,2,4]triazole
CID 138543232
(5S,7S)-7-fluoro-5-phenyl-6,7-dihydro-5H-pyrrolo[1,2-b][1,2,4]triazol-2-amine
CID 138543248
(5S,7R)-2-bromo-7-fluoro-5-phenyl-6,7-dihydro-5H-pyrrolo[1,2-b][1,2,4]triazole
CID 137408329
(5S,7S)-7-fluoro-5-phenyl-2-propan-2-yl-6,7-dihydro-5H-pyrrolo[1,2-b][1,2,4]triazole
CID 138605517
(5S,7R)-2-tert-butyl-7-fluoro-5-phenyl-6,7-dihydro-5H-pyrrolo[1,2-b][1,2,4]triazole
CID 134571253
2-(2,2-difluorocyclopropyl)-7-fluoro-5-phenyl-6,7-dihydro-5H-pyrrolo[1,2-b][1,2,4]triazole
CID 138543296
(5S,7S)-7-fluoro-2-(fluoromethylsulfinyl)-5-phenyl-6,7-dihydro-5H-pyrrolo[1,2-b][1,2,4]triazole
CID 138585921
7-fluoro-5-phenyl-2-(3,3,3-trifluoropropyl)-6,7-dihydro-5H-pyrrolo[1,2-b][1,2,4]triazole
CID 138543348
(1-fluorocyclopropyl)-(7-fluoro-5-phenyl-6,7-dihydro-5H-pyrrolo[1,2-b][1,2,4]triazol-2-yl)methanone
CID 137408314
(5R,7R)-7-fluoro-5-phenyl-2-(3,3,3-trifluoropropyl)-6,7-dihydro-5H-pyrrolo[1,2-b][1,2,4]triazole
CID 137408268
7-fluoro-5-phenyl-2-prop-1-en-2-yl-6,7-dihydro-5H-pyrrolo[1,2-b][1,2,4]triazole
CID 175611407

Frequently Asked Questions

What is the IUPAC name of (5S)-7-fluoro-2-(4-fluoroimidazol-1-yl)-5-phenyl-6,7-dihydro-5H-pyrrolo[1,2-b][1,2,4]triazole?
The IUPAC name of (5S)-7-fluoro-2-(4-fluoroimidazol-1-yl)-5-phenyl-6,7-dihydro-5H-pyrrolo[1,2-b][1,2,4]triazole (CID 138543216) is (5S)-7-fluoro-2-(4-fluoroimidazol-1-yl)-5-phenyl-6,7-dihydro-5H-pyrrolo[1,2-b][1,2,4]triazole.
What is the SMILES notation for (5S)-7-fluoro-2-(4-fluoroimidazol-1-yl)-5-phenyl-6,7-dihydro-5H-pyrrolo[1,2-b][1,2,4]triazole?
The canonical SMILES for (5S)-7-fluoro-2-(4-fluoroimidazol-1-yl)-5-phenyl-6,7-dihydro-5H-pyrrolo[1,2-b][1,2,4]triazole is Fc1cn(-c2nc3n(n2)[C@H](c2ccccc2)CC3F)cn1.
What is the InChIKey of (5S)-7-fluoro-2-(4-fluoroimidazol-1-yl)-5-phenyl-6,7-dihydro-5H-pyrrolo[1,2-b][1,2,4]triazole?
The InChIKey is ZJSLXLZEVNZLOX-DTIOYNMSSA-N. The full InChI is InChI=1S/C14H11F2N5/c15-10-6-11(9-4-2-1-3-5-9)21-13(10)18-14(19-21)20-7-12(16)17-8-20/h1-5,7-8,10-11H,6H2/t10?,11-/m0/s1.
What are the key properties of (5S)-7-fluoro-2-(4-fluoroimidazol-1-yl)-5-phenyl-6,7-dihydro-5H-pyrrolo[1,2-b][1,2,4]triazole?
(5S)-7-fluoro-2-(4-fluoroimidazol-1-yl)-5-phenyl-6,7-dihydro-5H-pyrrolo[1,2-b][1,2,4]triazole has a molecular weight of 287.27 g/mol, XLogP of 2.61, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-7-fluoro-2-(4-fluoroimidazol-1-yl)-5-phenyl-6,7-dihydro-5H-pyrrolo[1,2-b][1,2,4]triazole is sourced from PubChem (CID 138543216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).