6-[2-(2,3,5-trifluorophenyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]-[1,2,4]triazolo[1,5-a]pyridine

C18H12F3N5 — CID 121350087

IUPAC6-[2-(2,3,5-trifluorophenyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]-[1,2,4]triazolo[1,5-a]pyridine
SMILESFc1cc(F)c(F)c(-c2nc3n(c2-c2ccc4ncnn4c2)CCC3)c1
InChIInChI=1S/C18H12F3N5/c19-11-6-12(16(21)13(20)7-11)17-18(25-5-1-2-15(25)24-17)10-3-4-14-22-9-23-26(14)8-10/h3-4,6-9H,1-2,5H2
InChIKeyRUAYOBDXGVXLNE-UHFFFAOYSA-N
MW355.32 g/mol
LogP3.62
Rot. Bonds2

About 6-[2-(2,3,5-trifluorophenyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]-[1,2,4]triazolo[1,5-a]pyridine

6-[2-(2,3,5-trifluorophenyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]-[1,2,4]triazolo[1,5-a]pyridine (PubChem CID 121350087) has the molecular formula C18H12F3N5 and a molecular weight of 355.32 g/mol. Its IUPAC name is 6-[2-(2,3,5-trifluorophenyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]-[1,2,4]triazolo[1,5-a]pyridine.

Molecular Properties

Compound Name6-[2-(2,3,5-trifluorophenyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]-[1,2,4]triazolo[1,5-a]pyridine
PubChem CID121350087
Molecular FormulaC18H12F3N5
Molecular Weight355.32 g/mol
Exact Mass355.10
IUPAC Name6-[2-(2,3,5-trifluorophenyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]-[1,2,4]triazolo[1,5-a]pyridine
SMILESFc1cc(F)c(F)c(-c2nc3n(c2-c2ccc4ncnn4c2)CCC3)c1
InChIInChI=1S/C18H12F3N5/c19-11-6-12(16(21)13(20)7-11)17-18(25-5-1-2-15(25)24-17)10-3-4-14-22-9-23-26(14)8-10/h3-4,6-9H,1-2,5H2
InChIKeyRUAYOBDXGVXLNE-UHFFFAOYSA-N
XLogP3.62
TPSA48.01 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.32
LogP ≤ 53.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 6-[2-(2,3,5-trifluorophenyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]-[1,2,4]triazolo[1,5-a]pyridine 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 6-[2-(2,3,5-trifluorophenyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]-[1,2,4]triazolo[1,5-a]pyridine?
The IUPAC name of 6-[2-(2,3,5-trifluorophenyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]-[1,2,4]triazolo[1,5-a]pyridine (CID 121350087) is 6-[2-(2,3,5-trifluorophenyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]-[1,2,4]triazolo[1,5-a]pyridine.
What is the SMILES notation for 6-[2-(2,3,5-trifluorophenyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]-[1,2,4]triazolo[1,5-a]pyridine?
The canonical SMILES for 6-[2-(2,3,5-trifluorophenyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]-[1,2,4]triazolo[1,5-a]pyridine is Fc1cc(F)c(F)c(-c2nc3n(c2-c2ccc4ncnn4c2)CCC3)c1.
What is the InChIKey of 6-[2-(2,3,5-trifluorophenyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]-[1,2,4]triazolo[1,5-a]pyridine?
The InChIKey is RUAYOBDXGVXLNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12F3N5/c19-11-6-12(16(21)13(20)7-11)17-18(25-5-1-2-15(25)24-17)10-3-4-14-22-9-23-26(14)8-10/h3-4,6-9H,1-2,5H2.
What are the key properties of 6-[2-(2,3,5-trifluorophenyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]-[1,2,4]triazolo[1,5-a]pyridine?
6-[2-(2,3,5-trifluorophenyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]-[1,2,4]triazolo[1,5-a]pyridine has a molecular weight of 355.32 g/mol, XLogP of 3.62, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-(2,3,5-trifluorophenyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]-[1,2,4]triazolo[1,5-a]pyridine is sourced from PubChem (CID 121350087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).