8-methoxy-5-methyl-2-[2-(1-methyl-2-phenylimidazol-4-yl)ethyl]-[1,2,4]triazolo[1,5-a]pyridine

C20H21N5O — CID 53244675

IUPAC8-methoxy-5-methyl-2-[2-(1-methyl-2-phenylimidazol-4-yl)ethyl]-[1,2,4]triazolo[1,5-a]pyridine
SMILESCOc1ccc(C)n2nc(CCc3cn(C)c(-c4ccccc4)n3)nc12
InChIInChI=1S/C20H21N5O/c1-14-9-11-17(26-3)20-22-18(23-25(14)20)12-10-16-13-24(2)19(21-16)15-7-5-4-6-8-15/h4-9,11,13H,10,12H2,1-3H3
InChIKeyAKVBEFZMESHOTG-UHFFFAOYSA-N
MW347.42 g/mol
LogP3.23
Rot. Bonds5

About 8-methoxy-5-methyl-2-[2-(1-methyl-2-phenylimidazol-4-yl)ethyl]-[1,2,4]triazolo[1,5-a]pyridine

8-methoxy-5-methyl-2-[2-(1-methyl-2-phenylimidazol-4-yl)ethyl]-[1,2,4]triazolo[1,5-a]pyridine (PubChem CID 53244675) has the molecular formula C20H21N5O and a molecular weight of 347.42 g/mol. Its IUPAC name is 8-methoxy-5-methyl-2-[2-(1-methyl-2-phenylimidazol-4-yl)ethyl]-[1,2,4]triazolo[1,5-a]pyridine.

Molecular Properties

Compound Name8-methoxy-5-methyl-2-[2-(1-methyl-2-phenylimidazol-4-yl)ethyl]-[1,2,4]triazolo[1,5-a]pyridine
PubChem CID53244675
Molecular FormulaC20H21N5O
Molecular Weight347.42 g/mol
Exact Mass347.17
IUPAC Name8-methoxy-5-methyl-2-[2-(1-methyl-2-phenylimidazol-4-yl)ethyl]-[1,2,4]triazolo[1,5-a]pyridine
SMILESCOc1ccc(C)n2nc(CCc3cn(C)c(-c4ccccc4)n3)nc12
InChIInChI=1S/C20H21N5O/c1-14-9-11-17(26-3)20-22-18(23-25(14)20)12-10-16-13-24(2)19(21-16)15-7-5-4-6-8-15/h4-9,11,13H,10,12H2,1-3H3
InChIKeyAKVBEFZMESHOTG-UHFFFAOYSA-N
XLogP3.23
TPSA57.24 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.42
LogP ≤ 53.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 8-methoxy-5-methyl-2-[2-(1-methyl-2-phenylimidazol-4-yl)ethyl]-[1,2,4]triazolo[1,5-a]pyridine with MolForge

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Related Compounds

E-2212
CID 46854987
Sch 28080
CID 108137
Methyl substituted pyrazole, 27
CID 23648674
1-Methyl-2-[4-(1-methyl-4-pyridin-4-yl-1H-pyrazol-3-yl)phenoxymethyl]-1H-benzoimidazole
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Methyl substituted pyrazole, 28
CID 23648676
1-(5-Butoxypyridin-3-Yl)-4-Methyl-8-(Morpholin-4-Ylmethyl)[1,2,4]triazolo[4,3-A]quinoxaline
CID 71153408
US10399985, Example 36
CID 118288233
US10399985, Example 41
CID 118288257
US10399985, Example 45
CID 122693993
7-(2-fluorophenyl)-2-((2-methyl-2H-1,2,4-triazol-3-yl)methoxy)-3-phenylpyrazolo[1,5-d][1,2,4]triazine
CID 9865768
9-[(1-Ethylimidazol-2-yl)methoxy]-6-phenyl-4,5,7,8-tetrazatetracyclo[9.2.2.02,10.03,7]pentadeca-2(10),3,5,8-tetraene
CID 11292514
7-Tert-butyl-6-[(2-methyl-1,2,4-triazol-3-yl)methoxy]-3-phenyl-[1,2,4]triazolo[4,3-b]pyridazine
CID 11631938

Frequently Asked Questions

What is the IUPAC name of 8-methoxy-5-methyl-2-[2-(1-methyl-2-phenylimidazol-4-yl)ethyl]-[1,2,4]triazolo[1,5-a]pyridine?
The IUPAC name of 8-methoxy-5-methyl-2-[2-(1-methyl-2-phenylimidazol-4-yl)ethyl]-[1,2,4]triazolo[1,5-a]pyridine (CID 53244675) is 8-methoxy-5-methyl-2-[2-(1-methyl-2-phenylimidazol-4-yl)ethyl]-[1,2,4]triazolo[1,5-a]pyridine.
What is the SMILES notation for 8-methoxy-5-methyl-2-[2-(1-methyl-2-phenylimidazol-4-yl)ethyl]-[1,2,4]triazolo[1,5-a]pyridine?
The canonical SMILES for 8-methoxy-5-methyl-2-[2-(1-methyl-2-phenylimidazol-4-yl)ethyl]-[1,2,4]triazolo[1,5-a]pyridine is COc1ccc(C)n2nc(CCc3cn(C)c(-c4ccccc4)n3)nc12.
What is the InChIKey of 8-methoxy-5-methyl-2-[2-(1-methyl-2-phenylimidazol-4-yl)ethyl]-[1,2,4]triazolo[1,5-a]pyridine?
The InChIKey is AKVBEFZMESHOTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N5O/c1-14-9-11-17(26-3)20-22-18(23-25(14)20)12-10-16-13-24(2)19(21-16)15-7-5-4-6-8-15/h4-9,11,13H,10,12H2,1-3H3.
What are the key properties of 8-methoxy-5-methyl-2-[2-(1-methyl-2-phenylimidazol-4-yl)ethyl]-[1,2,4]triazolo[1,5-a]pyridine?
8-methoxy-5-methyl-2-[2-(1-methyl-2-phenylimidazol-4-yl)ethyl]-[1,2,4]triazolo[1,5-a]pyridine has a molecular weight of 347.42 g/mol, XLogP of 3.23, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methoxy-5-methyl-2-[2-(1-methyl-2-phenylimidazol-4-yl)ethyl]-[1,2,4]triazolo[1,5-a]pyridine is sourced from PubChem (CID 53244675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).