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

C20H17N5O — CID 53246394

IUPAC8-methoxy-5-methyl-2-[2-(1-methyl-4-phenylimidazol-2-yl)ethynyl]-[1,2,4]triazolo[1,5-a]pyridine
SMILESCOc1ccc(C)n2nc(C#Cc3nc(-c4ccccc4)cn3C)nc12
InChIInChI=1S/C20H17N5O/c1-14-9-10-17(26-3)20-22-18(23-25(14)20)11-12-19-21-16(13-24(19)2)15-7-5-4-6-8-15/h4-10,13H,1-3H3
InChIKeyWKXJCBQCYJQLNC-UHFFFAOYSA-N
MW343.39 g/mol
LogP2.85
Rot. Bonds2

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

8-methoxy-5-methyl-2-[2-(1-methyl-4-phenylimidazol-2-yl)ethynyl]-[1,2,4]triazolo[1,5-a]pyridine (PubChem CID 53246394) has the molecular formula C20H17N5O and a molecular weight of 343.39 g/mol. Its IUPAC name is 8-methoxy-5-methyl-2-[2-(1-methyl-4-phenylimidazol-2-yl)ethynyl]-[1,2,4]triazolo[1,5-a]pyridine.

Molecular Properties

Compound Name8-methoxy-5-methyl-2-[2-(1-methyl-4-phenylimidazol-2-yl)ethynyl]-[1,2,4]triazolo[1,5-a]pyridine
PubChem CID53246394
Molecular FormulaC20H17N5O
Molecular Weight343.39 g/mol
Exact Mass343.14
IUPAC Name8-methoxy-5-methyl-2-[2-(1-methyl-4-phenylimidazol-2-yl)ethynyl]-[1,2,4]triazolo[1,5-a]pyridine
SMILESCOc1ccc(C)n2nc(C#Cc3nc(-c4ccccc4)cn3C)nc12
InChIInChI=1S/C20H17N5O/c1-14-9-10-17(26-3)20-22-18(23-25(14)20)11-12-19-21-16(13-24(19)2)15-7-5-4-6-8-15/h4-10,13H,1-3H3
InChIKeyWKXJCBQCYJQLNC-UHFFFAOYSA-N
XLogP2.85
TPSA57.24 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.39
LogP ≤ 52.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 8-methoxy-5-methyl-2-[2-(1-methyl-4-phenylimidazol-2-yl)ethynyl]-[1,2,4]triazolo[1,5-a]pyridine?
The IUPAC name of 8-methoxy-5-methyl-2-[2-(1-methyl-4-phenylimidazol-2-yl)ethynyl]-[1,2,4]triazolo[1,5-a]pyridine (CID 53246394) is 8-methoxy-5-methyl-2-[2-(1-methyl-4-phenylimidazol-2-yl)ethynyl]-[1,2,4]triazolo[1,5-a]pyridine.
What is the SMILES notation for 8-methoxy-5-methyl-2-[2-(1-methyl-4-phenylimidazol-2-yl)ethynyl]-[1,2,4]triazolo[1,5-a]pyridine?
The canonical SMILES for 8-methoxy-5-methyl-2-[2-(1-methyl-4-phenylimidazol-2-yl)ethynyl]-[1,2,4]triazolo[1,5-a]pyridine is COc1ccc(C)n2nc(C#Cc3nc(-c4ccccc4)cn3C)nc12.
What is the InChIKey of 8-methoxy-5-methyl-2-[2-(1-methyl-4-phenylimidazol-2-yl)ethynyl]-[1,2,4]triazolo[1,5-a]pyridine?
The InChIKey is WKXJCBQCYJQLNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17N5O/c1-14-9-10-17(26-3)20-22-18(23-25(14)20)11-12-19-21-16(13-24(19)2)15-7-5-4-6-8-15/h4-10,13H,1-3H3.
What are the key properties of 8-methoxy-5-methyl-2-[2-(1-methyl-4-phenylimidazol-2-yl)ethynyl]-[1,2,4]triazolo[1,5-a]pyridine?
8-methoxy-5-methyl-2-[2-(1-methyl-4-phenylimidazol-2-yl)ethynyl]-[1,2,4]triazolo[1,5-a]pyridine has a molecular weight of 343.39 g/mol, XLogP of 2.85, 2 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-4-phenylimidazol-2-yl)ethynyl]-[1,2,4]triazolo[1,5-a]pyridine is sourced from PubChem (CID 53246394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).