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

C14H11ClFN5 — CID 138543234

IUPAC(5S)-2-(4-chloroimidazol-1-yl)-7-fluoro-5-phenyl-6,7-dihydro-5H-pyrrolo[1,2-b][1,2,4]triazole
SMILESFC1C[C@@H](c2ccccc2)n2nc(-n3cnc(Cl)c3)nc21
InChIInChI=1S/C14H11ClFN5/c15-12-7-20(8-17-12)14-18-13-10(16)6-11(21(13)19-14)9-4-2-1-3-5-9/h1-5,7-8,10-11H,6H2/t10?,11-/m0/s1
InChIKeyMSAYVCFDYBZMAP-DTIOYNMSSA-N
MW303.73 g/mol
LogP3.12
Rot. Bonds2

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

(5S)-2-(4-chloroimidazol-1-yl)-7-fluoro-5-phenyl-6,7-dihydro-5H-pyrrolo[1,2-b][1,2,4]triazole (PubChem CID 138543234) has the molecular formula C14H11ClFN5 and a molecular weight of 303.73 g/mol. Its IUPAC name is (5S)-2-(4-chloroimidazol-1-yl)-7-fluoro-5-phenyl-6,7-dihydro-5H-pyrrolo[1,2-b][1,2,4]triazole.

Molecular Properties

Compound Name(5S)-2-(4-chloroimidazol-1-yl)-7-fluoro-5-phenyl-6,7-dihydro-5H-pyrrolo[1,2-b][1,2,4]triazole
PubChem CID138543234
Molecular FormulaC14H11ClFN5
Molecular Weight303.73 g/mol
Exact Mass303.07
IUPAC Name(5S)-2-(4-chloroimidazol-1-yl)-7-fluoro-5-phenyl-6,7-dihydro-5H-pyrrolo[1,2-b][1,2,4]triazole
SMILESFC1C[C@@H](c2ccccc2)n2nc(-n3cnc(Cl)c3)nc21
InChIInChI=1S/C14H11ClFN5/c15-12-7-20(8-17-12)14-18-13-10(16)6-11(21(13)19-14)9-4-2-1-3-5-9/h1-5,7-8,10-11H,6H2/t10?,11-/m0/s1
InChIKeyMSAYVCFDYBZMAP-DTIOYNMSSA-N
XLogP3.12
TPSA48.53 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.73
LogP ≤ 53.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (5S)-2-(4-chloroimidazol-1-yl)-7-fluoro-5-phenyl-6,7-dihydro-5H-pyrrolo[1,2-b][1,2,4]triazole?
The IUPAC name of (5S)-2-(4-chloroimidazol-1-yl)-7-fluoro-5-phenyl-6,7-dihydro-5H-pyrrolo[1,2-b][1,2,4]triazole (CID 138543234) is (5S)-2-(4-chloroimidazol-1-yl)-7-fluoro-5-phenyl-6,7-dihydro-5H-pyrrolo[1,2-b][1,2,4]triazole.
What is the SMILES notation for (5S)-2-(4-chloroimidazol-1-yl)-7-fluoro-5-phenyl-6,7-dihydro-5H-pyrrolo[1,2-b][1,2,4]triazole?
The canonical SMILES for (5S)-2-(4-chloroimidazol-1-yl)-7-fluoro-5-phenyl-6,7-dihydro-5H-pyrrolo[1,2-b][1,2,4]triazole is FC1C[C@@H](c2ccccc2)n2nc(-n3cnc(Cl)c3)nc21.
What is the InChIKey of (5S)-2-(4-chloroimidazol-1-yl)-7-fluoro-5-phenyl-6,7-dihydro-5H-pyrrolo[1,2-b][1,2,4]triazole?
The InChIKey is MSAYVCFDYBZMAP-DTIOYNMSSA-N. The full InChI is InChI=1S/C14H11ClFN5/c15-12-7-20(8-17-12)14-18-13-10(16)6-11(21(13)19-14)9-4-2-1-3-5-9/h1-5,7-8,10-11H,6H2/t10?,11-/m0/s1.
What are the key properties of (5S)-2-(4-chloroimidazol-1-yl)-7-fluoro-5-phenyl-6,7-dihydro-5H-pyrrolo[1,2-b][1,2,4]triazole?
(5S)-2-(4-chloroimidazol-1-yl)-7-fluoro-5-phenyl-6,7-dihydro-5H-pyrrolo[1,2-b][1,2,4]triazole has a molecular weight of 303.73 g/mol, XLogP of 3.12, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-2-(4-chloroimidazol-1-yl)-7-fluoro-5-phenyl-6,7-dihydro-5H-pyrrolo[1,2-b][1,2,4]triazole is sourced from PubChem (CID 138543234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).