5,8-dimethyl-2-[2-(1-methyl-4-thiophen-2-ylimidazol-2-yl)ethyl]-[1,2,4]triazolo[1,5-a]pyridine

C18H19N5S — CID 53250350

IUPAC5,8-dimethyl-2-[2-(1-methyl-4-thiophen-2-ylimidazol-2-yl)ethyl]-[1,2,4]triazolo[1,5-a]pyridine
SMILESCc1ccc(C)n2nc(CCc3nc(-c4cccs4)cn3C)nc12
InChIInChI=1S/C18H19N5S/c1-12-6-7-13(2)23-18(12)20-16(21-23)8-9-17-19-14(11-22(17)3)15-5-4-10-24-15/h4-7,10-11H,8-9H2,1-3H3
InChIKeyVEHGAPOHXHTOEB-UHFFFAOYSA-N
MW337.45 g/mol
LogP3.59
Rot. Bonds4

About 5,8-dimethyl-2-[2-(1-methyl-4-thiophen-2-ylimidazol-2-yl)ethyl]-[1,2,4]triazolo[1,5-a]pyridine

5,8-dimethyl-2-[2-(1-methyl-4-thiophen-2-ylimidazol-2-yl)ethyl]-[1,2,4]triazolo[1,5-a]pyridine (PubChem CID 53250350) has the molecular formula C18H19N5S and a molecular weight of 337.45 g/mol. Its IUPAC name is 5,8-dimethyl-2-[2-(1-methyl-4-thiophen-2-ylimidazol-2-yl)ethyl]-[1,2,4]triazolo[1,5-a]pyridine.

Molecular Properties

Compound Name5,8-dimethyl-2-[2-(1-methyl-4-thiophen-2-ylimidazol-2-yl)ethyl]-[1,2,4]triazolo[1,5-a]pyridine
PubChem CID53250350
Molecular FormulaC18H19N5S
Molecular Weight337.45 g/mol
Exact Mass337.14
IUPAC Name5,8-dimethyl-2-[2-(1-methyl-4-thiophen-2-ylimidazol-2-yl)ethyl]-[1,2,4]triazolo[1,5-a]pyridine
SMILESCc1ccc(C)n2nc(CCc3nc(-c4cccs4)cn3C)nc12
InChIInChI=1S/C18H19N5S/c1-12-6-7-13(2)23-18(12)20-16(21-23)8-9-17-19-14(11-22(17)3)15-5-4-10-24-15/h4-7,10-11H,8-9H2,1-3H3
InChIKeyVEHGAPOHXHTOEB-UHFFFAOYSA-N
XLogP3.59
TPSA48.01 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.45
LogP ≤ 53.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

5,8-dimethyl-2-[2-(1-(111C)methyl-4-phenylimidazol-2-yl)ethyl]-[1,2,4]triazolo[1,5-a]pyridine
CID 57338723
5-[2-[2-(5,8-dimethyl-[1,2,4]triazolo[1,5-a]pyrazin-2-yl)ethyl]-1-methylimidazol-4-yl]-1,3-thiazole
CID 53250655
(2S)-4-(methylamino)-1-[2-[2-(5-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)ethyl]-4-thiophen-2-ylimidazol-1-yl]butan-2-ol
CID 67259161
(2R)-1-chloro-3-[2-[2-(5-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)ethyl]-4-thiophen-2-ylimidazol-1-yl]propan-2-ol
CID 67257360
8-methoxy-5-methyl-2-[(E)-2-(1-methyl-4-thiophen-2-ylimidazol-2-yl)ethenyl]-[1,2,4]triazolo[1,5-a]pyridine
CID 53252085
5-chloro-N-[2-(1-methyl-4-thiophen-2-ylimidazol-2-yl)ethyl]thiophene-2-sulfonamide
CID 71797224
(2S)-1-[2-[2-(5-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)ethyl]-4-thiophen-2-ylimidazol-1-yl]-3-morpholin-4-ylpropan-2-ol
CID 67259929
1-(2-ethoxyphenyl)-3-[2-(1-methyl-4-thiophen-2-ylimidazol-2-yl)ethyl]urea
CID 71797234
8-methyl-2-[2-(1-methyl-4-thiophen-2-ylimidazol-2-yl)ethenyl]-[1,2,4]triazolo[1,5-a]pyridine
CID 67257844
1,5-dimethyl-3-thiophen-2-ylpyrazole
CID 59635615
N-[2-(1-methyl-4-thiophen-2-ylimidazol-2-yl)ethyl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide
CID 71797228
N-[2-(5-methyl-3-thiophen-2-ylpyrazol-1-yl)ethyl]cyclopropanecarboxamide
CID 121169632

Frequently Asked Questions

What is the IUPAC name of 5,8-dimethyl-2-[2-(1-methyl-4-thiophen-2-ylimidazol-2-yl)ethyl]-[1,2,4]triazolo[1,5-a]pyridine?
The IUPAC name of 5,8-dimethyl-2-[2-(1-methyl-4-thiophen-2-ylimidazol-2-yl)ethyl]-[1,2,4]triazolo[1,5-a]pyridine (CID 53250350) is 5,8-dimethyl-2-[2-(1-methyl-4-thiophen-2-ylimidazol-2-yl)ethyl]-[1,2,4]triazolo[1,5-a]pyridine.
What is the SMILES notation for 5,8-dimethyl-2-[2-(1-methyl-4-thiophen-2-ylimidazol-2-yl)ethyl]-[1,2,4]triazolo[1,5-a]pyridine?
The canonical SMILES for 5,8-dimethyl-2-[2-(1-methyl-4-thiophen-2-ylimidazol-2-yl)ethyl]-[1,2,4]triazolo[1,5-a]pyridine is Cc1ccc(C)n2nc(CCc3nc(-c4cccs4)cn3C)nc12.
What is the InChIKey of 5,8-dimethyl-2-[2-(1-methyl-4-thiophen-2-ylimidazol-2-yl)ethyl]-[1,2,4]triazolo[1,5-a]pyridine?
The InChIKey is VEHGAPOHXHTOEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N5S/c1-12-6-7-13(2)23-18(12)20-16(21-23)8-9-17-19-14(11-22(17)3)15-5-4-10-24-15/h4-7,10-11H,8-9H2,1-3H3.
What are the key properties of 5,8-dimethyl-2-[2-(1-methyl-4-thiophen-2-ylimidazol-2-yl)ethyl]-[1,2,4]triazolo[1,5-a]pyridine?
5,8-dimethyl-2-[2-(1-methyl-4-thiophen-2-ylimidazol-2-yl)ethyl]-[1,2,4]triazolo[1,5-a]pyridine has a molecular weight of 337.45 g/mol, XLogP of 3.59, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5,8-dimethyl-2-[2-(1-methyl-4-thiophen-2-ylimidazol-2-yl)ethyl]-[1,2,4]triazolo[1,5-a]pyridine is sourced from PubChem (CID 53250350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).