2-[2-[5-(4-methylimidazol-1-yl)-2-pyridinyl]ethenyl]-8-[2-(trifluoromethyl)phenyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine

C24H21F3N6 — CID 66839134

IUPAC2-[2-[5-(4-methylimidazol-1-yl)-2-pyridinyl]ethenyl]-8-[2-(trifluoromethyl)phenyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine
SMILESCc1cn(-c2ccc(C=Cc3nc4n(n3)CCCC4c3ccccc3C(F)(F)F)nc2)cn1
InChIInChI=1S/C24H21F3N6/c1-16-14-32(15-29-16)18-10-8-17(28-13-18)9-11-22-30-23-20(6-4-12-33(23)31-22)19-5-2-3-7-21(19)24(25,26)27/h2-3,5,7-11,13-15,20H,4,6,12H2,1H3
InChIKeyNQTQSKCDVUUBIU-UHFFFAOYSA-N
MW450.47 g/mol
LogP5.28
Rot. Bonds4

About 2-[2-[5-(4-methylimidazol-1-yl)-2-pyridinyl]ethenyl]-8-[2-(trifluoromethyl)phenyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine

2-[2-[5-(4-methylimidazol-1-yl)-2-pyridinyl]ethenyl]-8-[2-(trifluoromethyl)phenyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine (PubChem CID 66839134) has the molecular formula C24H21F3N6 and a molecular weight of 450.47 g/mol. Its IUPAC name is 2-[2-[5-(4-methylimidazol-1-yl)-2-pyridinyl]ethenyl]-8-[2-(trifluoromethyl)phenyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine.

Molecular Properties

Compound Name2-[2-[5-(4-methylimidazol-1-yl)-2-pyridinyl]ethenyl]-8-[2-(trifluoromethyl)phenyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine
PubChem CID66839134
Molecular FormulaC24H21F3N6
Molecular Weight450.47 g/mol
Exact Mass450.18
IUPAC Name2-[2-[5-(4-methylimidazol-1-yl)-2-pyridinyl]ethenyl]-8-[2-(trifluoromethyl)phenyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine
SMILESCc1cn(-c2ccc(C=Cc3nc4n(n3)CCCC4c3ccccc3C(F)(F)F)nc2)cn1
InChIInChI=1S/C24H21F3N6/c1-16-14-32(15-29-16)18-10-8-17(28-13-18)9-11-22-30-23-20(6-4-12-33(23)31-22)19-5-2-3-7-21(19)24(25,26)27/h2-3,5,7-11,13-15,20H,4,6,12H2,1H3
InChIKeyNQTQSKCDVUUBIU-UHFFFAOYSA-N
XLogP5.28
TPSA61.42 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500450.47
LogP ≤ 55.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 2-[2-[5-(4-methylimidazol-1-yl)-2-pyridinyl]ethenyl]-8-[2-(trifluoromethyl)phenyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-[2-[5-(4-methylimidazol-1-yl)-2-pyridinyl]ethenyl]-8-[2-(trifluoromethyl)phenyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine?
The IUPAC name of 2-[2-[5-(4-methylimidazol-1-yl)-2-pyridinyl]ethenyl]-8-[2-(trifluoromethyl)phenyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine (CID 66839134) is 2-[2-[5-(4-methylimidazol-1-yl)-2-pyridinyl]ethenyl]-8-[2-(trifluoromethyl)phenyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine.
What is the SMILES notation for 2-[2-[5-(4-methylimidazol-1-yl)-2-pyridinyl]ethenyl]-8-[2-(trifluoromethyl)phenyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine?
The canonical SMILES for 2-[2-[5-(4-methylimidazol-1-yl)-2-pyridinyl]ethenyl]-8-[2-(trifluoromethyl)phenyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine is Cc1cn(-c2ccc(C=Cc3nc4n(n3)CCCC4c3ccccc3C(F)(F)F)nc2)cn1.
What is the InChIKey of 2-[2-[5-(4-methylimidazol-1-yl)-2-pyridinyl]ethenyl]-8-[2-(trifluoromethyl)phenyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine?
The InChIKey is NQTQSKCDVUUBIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21F3N6/c1-16-14-32(15-29-16)18-10-8-17(28-13-18)9-11-22-30-23-20(6-4-12-33(23)31-22)19-5-2-3-7-21(19)24(25,26)27/h2-3,5,7-11,13-15,20H,4,6,12H2,1H3.
What are the key properties of 2-[2-[5-(4-methylimidazol-1-yl)-2-pyridinyl]ethenyl]-8-[2-(trifluoromethyl)phenyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine?
2-[2-[5-(4-methylimidazol-1-yl)-2-pyridinyl]ethenyl]-8-[2-(trifluoromethyl)phenyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine has a molecular weight of 450.47 g/mol, XLogP of 5.28, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[5-(4-methylimidazol-1-yl)-2-pyridinyl]ethenyl]-8-[2-(trifluoromethyl)phenyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine is sourced from PubChem (CID 66839134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).