6-[2-(2,3,5-trifluorophenyl)-3,5,6,7-tetrahydropyrrolo[1,2-c]imidazol-3-yl]-[1,2,4]triazolo[1,5-a]pyridine

C18H14F3N5 — CID 137351648

IUPAC6-[2-(2,3,5-trifluorophenyl)-3,5,6,7-tetrahydropyrrolo[1,2-c]imidazol-3-yl]-[1,2,4]triazolo[1,5-a]pyridine
SMILESFc1cc(F)c(F)c(N2C=C3CCCN3C2c2ccc3ncnn3c2)c1
InChIInChI=1S/C18H14F3N5/c19-12-6-14(20)17(21)15(7-12)25-9-13-2-1-5-24(13)18(25)11-3-4-16-22-10-23-26(16)8-11/h3-4,6-10,18H,1-2,5H2
InChIKeyBBBMECQZOUUHJS-UHFFFAOYSA-N
MW357.34 g/mol
LogP3.60
Rot. Bonds2

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

6-[2-(2,3,5-trifluorophenyl)-3,5,6,7-tetrahydropyrrolo[1,2-c]imidazol-3-yl]-[1,2,4]triazolo[1,5-a]pyridine (PubChem CID 137351648) has the molecular formula C18H14F3N5 and a molecular weight of 357.34 g/mol. Its IUPAC name is 6-[2-(2,3,5-trifluorophenyl)-3,5,6,7-tetrahydropyrrolo[1,2-c]imidazol-3-yl]-[1,2,4]triazolo[1,5-a]pyridine.

Molecular Properties

Compound Name6-[2-(2,3,5-trifluorophenyl)-3,5,6,7-tetrahydropyrrolo[1,2-c]imidazol-3-yl]-[1,2,4]triazolo[1,5-a]pyridine
PubChem CID137351648
Molecular FormulaC18H14F3N5
Molecular Weight357.34 g/mol
Exact Mass357.12
IUPAC Name6-[2-(2,3,5-trifluorophenyl)-3,5,6,7-tetrahydropyrrolo[1,2-c]imidazol-3-yl]-[1,2,4]triazolo[1,5-a]pyridine
SMILESFc1cc(F)c(F)c(N2C=C3CCCN3C2c2ccc3ncnn3c2)c1
InChIInChI=1S/C18H14F3N5/c19-12-6-14(20)17(21)15(7-12)25-9-13-2-1-5-24(13)18(25)11-3-4-16-22-10-23-26(16)8-11/h3-4,6-10,18H,1-2,5H2
InChIKeyBBBMECQZOUUHJS-UHFFFAOYSA-N
XLogP3.60
TPSA36.67 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.34
LogP ≤ 53.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-[2-(2,3,5-trifluorophenyl)-3,5,6,7-tetrahydropyrrolo[1,2-c]imidazol-3-yl]-[1,2,4]triazolo[1,5-a]pyridine?
The IUPAC name of 6-[2-(2,3,5-trifluorophenyl)-3,5,6,7-tetrahydropyrrolo[1,2-c]imidazol-3-yl]-[1,2,4]triazolo[1,5-a]pyridine (CID 137351648) is 6-[2-(2,3,5-trifluorophenyl)-3,5,6,7-tetrahydropyrrolo[1,2-c]imidazol-3-yl]-[1,2,4]triazolo[1,5-a]pyridine.
What is the SMILES notation for 6-[2-(2,3,5-trifluorophenyl)-3,5,6,7-tetrahydropyrrolo[1,2-c]imidazol-3-yl]-[1,2,4]triazolo[1,5-a]pyridine?
The canonical SMILES for 6-[2-(2,3,5-trifluorophenyl)-3,5,6,7-tetrahydropyrrolo[1,2-c]imidazol-3-yl]-[1,2,4]triazolo[1,5-a]pyridine is Fc1cc(F)c(F)c(N2C=C3CCCN3C2c2ccc3ncnn3c2)c1.
What is the InChIKey of 6-[2-(2,3,5-trifluorophenyl)-3,5,6,7-tetrahydropyrrolo[1,2-c]imidazol-3-yl]-[1,2,4]triazolo[1,5-a]pyridine?
The InChIKey is BBBMECQZOUUHJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14F3N5/c19-12-6-14(20)17(21)15(7-12)25-9-13-2-1-5-24(13)18(25)11-3-4-16-22-10-23-26(16)8-11/h3-4,6-10,18H,1-2,5H2.
What are the key properties of 6-[2-(2,3,5-trifluorophenyl)-3,5,6,7-tetrahydropyrrolo[1,2-c]imidazol-3-yl]-[1,2,4]triazolo[1,5-a]pyridine?
6-[2-(2,3,5-trifluorophenyl)-3,5,6,7-tetrahydropyrrolo[1,2-c]imidazol-3-yl]-[1,2,4]triazolo[1,5-a]pyridine has a molecular weight of 357.34 g/mol, XLogP of 3.60, 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)-3,5,6,7-tetrahydropyrrolo[1,2-c]imidazol-3-yl]-[1,2,4]triazolo[1,5-a]pyridine is sourced from PubChem (CID 137351648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).