5,7-dimethyl-2-[2-(1-methyl-4-phenylimidazol-2-yl)ethynyl]-[1,2,4]triazolo[1,5-a]pyridine;6,8-dimethyl-2-[2-(1-methyl-4-phenylimidazol-2-yl)ethynyl]-[1,2,4]triazolo[1,5-a]pyridine;2-[2-(1-methyl-4-phenylimidazol-2-yl)ethynyl]-5-(trifluoromethyl)imidazo[1,2-a]pyridine

C60H47F3N14 — CID 87327297

IUPAC5,7-dimethyl-2-[2-(1-methyl-4-phenylimidazol-2-yl)ethynyl]-[1,2,4]triazolo[1,5-a]pyridine;6,8-dimethyl-2-[2-(1-methyl-4-phenylimidazol-2-yl)ethynyl]-[1,2,4]triazolo[1,5-a]pyridine;2-[2-(1-methyl-4-phenylimidazol-2-yl)ethynyl]-5-(trifluoromethyl)imidazo[1,2-a]pyridine
SMILESCc1cc(C)c2nc(C#Cc3nc(-c4ccccc4)cn3C)nn2c1.Cc1cc(C)n2nc(C#Cc3nc(-c4ccccc4)cn3C)nc2c1.Cn1cc(-c2ccccc2)nc1C#Cc1cn2c(C(F)(F)F)cccc2n1
InChIInChI=1S/C20H13F3N4.2C20H17N5/c1-26-13-16(14-6-3-2-4-7-14)25-18(26)11-10-15-12-27-17(20(21,22)23)8-5-9-19(27)24-15;1-14-11-15(2)20-22-18(23-25(20)12-14)9-10-19-21-17(13-24(19)3)16-7-5-4-6-8-16;1-14-11-15(2)25-20(12-14)22-18(23-25)9-10-19-21-17(13-24(19)3)16-7-5-4-6-8-16/h2-9,12-13H,1H3;2*4-8,11-13H,1-3H3
InChIKeyYVLGTWQBUPNQAG-UHFFFAOYSA-N
MW1021.13 g/mol
LogP10.45
Rot. Bonds3

About 5,7-dimethyl-2-[2-(1-methyl-4-phenylimidazol-2-yl)ethynyl]-[1,2,4]triazolo[1,5-a]pyridine;6,8-dimethyl-2-[2-(1-methyl-4-phenylimidazol-2-yl)ethynyl]-[1,2,4]triazolo[1,5-a]pyridine;2-[2-(1-methyl-4-phenylimidazol-2-yl)ethynyl]-5-(trifluoromethyl)imidazo[1,2-a]pyridine

5,7-dimethyl-2-[2-(1-methyl-4-phenylimidazol-2-yl)ethynyl]-[1,2,4]triazolo[1,5-a]pyridine;6,8-dimethyl-2-[2-(1-methyl-4-phenylimidazol-2-yl)ethynyl]-[1,2,4]triazolo[1,5-a]pyridine;2-[2-(1-methyl-4-phenylimidazol-2-yl)ethynyl]-5-(trifluoromethyl)imidazo[1,2-a]pyridine (PubChem CID 87327297) has the molecular formula C60H47F3N14 and a molecular weight of 1021.13 g/mol. Its IUPAC name is 5,7-dimethyl-2-[2-(1-methyl-4-phenylimidazol-2-yl)ethynyl]-[1,2,4]triazolo[1,5-a]pyridine;6,8-dimethyl-2-[2-(1-methyl-4-phenylimidazol-2-yl)ethynyl]-[1,2,4]triazolo[1,5-a]pyridine;2-[2-(1-methyl-4-phenylimidazol-2-yl)ethynyl]-5-(trifluoromethyl)imidazo[1,2-a]pyridine.

Molecular Properties

Compound Name5,7-dimethyl-2-[2-(1-methyl-4-phenylimidazol-2-yl)ethynyl]-[1,2,4]triazolo[1,5-a]pyridine;6,8-dimethyl-2-[2-(1-methyl-4-phenylimidazol-2-yl)ethynyl]-[1,2,4]triazolo[1,5-a]pyridine;2-[2-(1-methyl-4-phenylimidazol-2-yl)ethynyl]-5-(trifluoromethyl)imidazo[1,2-a]pyridine
PubChem CID87327297
Molecular FormulaC60H47F3N14
Molecular Weight1021.13 g/mol
Exact Mass1020.41
IUPAC Name5,7-dimethyl-2-[2-(1-methyl-4-phenylimidazol-2-yl)ethynyl]-[1,2,4]triazolo[1,5-a]pyridine;6,8-dimethyl-2-[2-(1-methyl-4-phenylimidazol-2-yl)ethynyl]-[1,2,4]triazolo[1,5-a]pyridine;2-[2-(1-methyl-4-phenylimidazol-2-yl)ethynyl]-5-(trifluoromethyl)imidazo[1,2-a]pyridine
SMILESCc1cc(C)c2nc(C#Cc3nc(-c4ccccc4)cn3C)nn2c1.Cc1cc(C)n2nc(C#Cc3nc(-c4ccccc4)cn3C)nc2c1.Cn1cc(-c2ccccc2)nc1C#Cc1cn2c(C(F)(F)F)cccc2n1
InChIInChI=1S/C20H13F3N4.2C20H17N5/c1-26-13-16(14-6-3-2-4-7-14)25-18(26)11-10-15-12-27-17(20(21,22)23)8-5-9-19(27)24-15;1-14-11-15(2)20-22-18(23-25(20)12-14)9-10-19-21-17(13-24(19)3)16-7-5-4-6-8-16;1-14-11-15(2)25-20(12-14)22-18(23-25)9-10-19-21-17(13-24(19)3)16-7-5-4-6-8-16/h2-9,12-13H,1H3;2*4-8,11-13H,1-3H3
InChIKeyYVLGTWQBUPNQAG-UHFFFAOYSA-N
XLogP10.45
TPSA131.14 Ų
H-Bond Donors
H-Bond Acceptors14
Rotatable Bonds3
Heavy Atoms77
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001021.13
LogP ≤ 510.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1014

Computed Properties (RDKit)

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

Analyze 5,7-dimethyl-2-[2-(1-methyl-4-phenylimidazol-2-yl)ethynyl]-[1,2,4]triazolo[1,5-a]pyridine;6,8-dimethyl-2-[2-(1-methyl-4-phenylimidazol-2-yl)ethynyl]-[1,2,4]triazolo[1,5-a]pyridine;2-[2-(1-methyl-4-phenylimidazol-2-yl)ethynyl]-5-(trifluoromethyl)imidazo[1,2-a]pyridine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 5,7-dimethyl-2-[2-(1-methyl-4-phenylimidazol-2-yl)ethynyl]-[1,2,4]triazolo[1,5-a]pyridine;6,8-dimethyl-2-[2-(1-methyl-4-phenylimidazol-2-yl)ethynyl]-[1,2,4]triazolo[1,5-a]pyridine;2-[2-(1-methyl-4-phenylimidazol-2-yl)ethynyl]-5-(trifluoromethyl)imidazo[1,2-a]pyridine?
The IUPAC name of 5,7-dimethyl-2-[2-(1-methyl-4-phenylimidazol-2-yl)ethynyl]-[1,2,4]triazolo[1,5-a]pyridine;6,8-dimethyl-2-[2-(1-methyl-4-phenylimidazol-2-yl)ethynyl]-[1,2,4]triazolo[1,5-a]pyridine;2-[2-(1-methyl-4-phenylimidazol-2-yl)ethynyl]-5-(trifluoromethyl)imidazo[1,2-a]pyridine (CID 87327297) is 5,7-dimethyl-2-[2-(1-methyl-4-phenylimidazol-2-yl)ethynyl]-[1,2,4]triazolo[1,5-a]pyridine;6,8-dimethyl-2-[2-(1-methyl-4-phenylimidazol-2-yl)ethynyl]-[1,2,4]triazolo[1,5-a]pyridine;2-[2-(1-methyl-4-phenylimidazol-2-yl)ethynyl]-5-(trifluoromethyl)imidazo[1,2-a]pyridine.
What is the SMILES notation for 5,7-dimethyl-2-[2-(1-methyl-4-phenylimidazol-2-yl)ethynyl]-[1,2,4]triazolo[1,5-a]pyridine;6,8-dimethyl-2-[2-(1-methyl-4-phenylimidazol-2-yl)ethynyl]-[1,2,4]triazolo[1,5-a]pyridine;2-[2-(1-methyl-4-phenylimidazol-2-yl)ethynyl]-5-(trifluoromethyl)imidazo[1,2-a]pyridine?
The canonical SMILES for 5,7-dimethyl-2-[2-(1-methyl-4-phenylimidazol-2-yl)ethynyl]-[1,2,4]triazolo[1,5-a]pyridine;6,8-dimethyl-2-[2-(1-methyl-4-phenylimidazol-2-yl)ethynyl]-[1,2,4]triazolo[1,5-a]pyridine;2-[2-(1-methyl-4-phenylimidazol-2-yl)ethynyl]-5-(trifluoromethyl)imidazo[1,2-a]pyridine is Cc1cc(C)c2nc(C#Cc3nc(-c4ccccc4)cn3C)nn2c1.Cc1cc(C)n2nc(C#Cc3nc(-c4ccccc4)cn3C)nc2c1.Cn1cc(-c2ccccc2)nc1C#Cc1cn2c(C(F)(F)F)cccc2n1.
What is the InChIKey of 5,7-dimethyl-2-[2-(1-methyl-4-phenylimidazol-2-yl)ethynyl]-[1,2,4]triazolo[1,5-a]pyridine;6,8-dimethyl-2-[2-(1-methyl-4-phenylimidazol-2-yl)ethynyl]-[1,2,4]triazolo[1,5-a]pyridine;2-[2-(1-methyl-4-phenylimidazol-2-yl)ethynyl]-5-(trifluoromethyl)imidazo[1,2-a]pyridine?
The InChIKey is YVLGTWQBUPNQAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H13F3N4.2C20H17N5/c1-26-13-16(14-6-3-2-4-7-14)25-18(26)11-10-15-12-27-17(20(21,22)23)8-5-9-19(27)24-15;1-14-11-15(2)20-22-18(23-25(20)12-14)9-10-19-21-17(13-24(19)3)16-7-5-4-6-8-16;1-14-11-15(2)25-20(12-14)22-18(23-25)9-10-19-21-17(13-24(19)3)16-7-5-4-6-8-16/h2-9,12-13H,1H3;2*4-8,11-13H,1-3H3.
What are the key properties of 5,7-dimethyl-2-[2-(1-methyl-4-phenylimidazol-2-yl)ethynyl]-[1,2,4]triazolo[1,5-a]pyridine;6,8-dimethyl-2-[2-(1-methyl-4-phenylimidazol-2-yl)ethynyl]-[1,2,4]triazolo[1,5-a]pyridine;2-[2-(1-methyl-4-phenylimidazol-2-yl)ethynyl]-5-(trifluoromethyl)imidazo[1,2-a]pyridine?
5,7-dimethyl-2-[2-(1-methyl-4-phenylimidazol-2-yl)ethynyl]-[1,2,4]triazolo[1,5-a]pyridine;6,8-dimethyl-2-[2-(1-methyl-4-phenylimidazol-2-yl)ethynyl]-[1,2,4]triazolo[1,5-a]pyridine;2-[2-(1-methyl-4-phenylimidazol-2-yl)ethynyl]-5-(trifluoromethyl)imidazo[1,2-a]pyridine has a molecular weight of 1021.13 g/mol, XLogP of 10.45, 3 rotatable bonds, 0 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for 5,7-dimethyl-2-[2-(1-methyl-4-phenylimidazol-2-yl)ethynyl]-[1,2,4]triazolo[1,5-a]pyridine;6,8-dimethyl-2-[2-(1-methyl-4-phenylimidazol-2-yl)ethynyl]-[1,2,4]triazolo[1,5-a]pyridine;2-[2-(1-methyl-4-phenylimidazol-2-yl)ethynyl]-5-(trifluoromethyl)imidazo[1,2-a]pyridine is sourced from PubChem (CID 87327297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).