2-[[4-(4-methoxyphenyl)-1-methylimidazol-2-yl]methylsulfanyl]-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyridine

C20H21N5OS — CID 44547665

IUPAC2-[[4-(4-methoxyphenyl)-1-methylimidazol-2-yl]methylsulfanyl]-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyridine
SMILESCOc1ccc(-c2cn(C)c(CSc3nc4cc(C)cc(C)n4n3)n2)cc1
InChIInChI=1S/C20H21N5OS/c1-13-9-14(2)25-18(10-13)22-20(23-25)27-12-19-21-17(11-24(19)3)15-5-7-16(26-4)8-6-15/h5-11H,12H2,1-4H3
InChIKeyREGXVVLOXIBIOD-UHFFFAOYSA-N
MW379.49 g/mol
LogP4.05
Rot. Bonds5

About 2-[[4-(4-methoxyphenyl)-1-methylimidazol-2-yl]methylsulfanyl]-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyridine

2-[[4-(4-methoxyphenyl)-1-methylimidazol-2-yl]methylsulfanyl]-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyridine (PubChem CID 44547665) has the molecular formula C20H21N5OS and a molecular weight of 379.49 g/mol. Its IUPAC name is 2-[[4-(4-methoxyphenyl)-1-methylimidazol-2-yl]methylsulfanyl]-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyridine.

Molecular Properties

Compound Name2-[[4-(4-methoxyphenyl)-1-methylimidazol-2-yl]methylsulfanyl]-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyridine
PubChem CID44547665
Molecular FormulaC20H21N5OS
Molecular Weight379.49 g/mol
Exact Mass379.15
IUPAC Name2-[[4-(4-methoxyphenyl)-1-methylimidazol-2-yl]methylsulfanyl]-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyridine
SMILESCOc1ccc(-c2cn(C)c(CSc3nc4cc(C)cc(C)n4n3)n2)cc1
InChIInChI=1S/C20H21N5OS/c1-13-9-14(2)25-18(10-13)22-20(23-25)27-12-19-21-17(11-24(19)3)15-5-7-16(26-4)8-6-15/h5-11H,12H2,1-4H3
InChIKeyREGXVVLOXIBIOD-UHFFFAOYSA-N
XLogP4.05
TPSA57.24 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.49
LogP ≤ 54.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[[4-(4-methoxyphenyl)-1-methylimidazol-2-yl]methylsulfanyl]-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyridine?
The IUPAC name of 2-[[4-(4-methoxyphenyl)-1-methylimidazol-2-yl]methylsulfanyl]-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyridine (CID 44547665) is 2-[[4-(4-methoxyphenyl)-1-methylimidazol-2-yl]methylsulfanyl]-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyridine.
What is the SMILES notation for 2-[[4-(4-methoxyphenyl)-1-methylimidazol-2-yl]methylsulfanyl]-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyridine?
The canonical SMILES for 2-[[4-(4-methoxyphenyl)-1-methylimidazol-2-yl]methylsulfanyl]-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyridine is COc1ccc(-c2cn(C)c(CSc3nc4cc(C)cc(C)n4n3)n2)cc1.
What is the InChIKey of 2-[[4-(4-methoxyphenyl)-1-methylimidazol-2-yl]methylsulfanyl]-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyridine?
The InChIKey is REGXVVLOXIBIOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N5OS/c1-13-9-14(2)25-18(10-13)22-20(23-25)27-12-19-21-17(11-24(19)3)15-5-7-16(26-4)8-6-15/h5-11H,12H2,1-4H3.
What are the key properties of 2-[[4-(4-methoxyphenyl)-1-methylimidazol-2-yl]methylsulfanyl]-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyridine?
2-[[4-(4-methoxyphenyl)-1-methylimidazol-2-yl]methylsulfanyl]-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyridine has a molecular weight of 379.49 g/mol, XLogP of 4.05, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-(4-methoxyphenyl)-1-methylimidazol-2-yl]methylsulfanyl]-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyridine is sourced from PubChem (CID 44547665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).