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

C18H13N5 — CID 53246159

IUPAC2-[2-(1-methyl-4-phenylimidazol-2-yl)ethynyl]-[1,2,4]triazolo[1,5-a]pyridine
SMILESCn1cc(-c2ccccc2)nc1C#Cc1nc2ccccn2n1
InChIInChI=1S/C18H13N5/c1-22-13-15(14-7-3-2-4-8-14)19-17(22)11-10-16-20-18-9-5-6-12-23(18)21-16/h2-9,12-13H,1H3
InChIKeyRZUGFRIHTZOXNP-UHFFFAOYSA-N
MW299.34 g/mol
LogP2.53
Rot. Bonds1

About 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]-[1,2,4]triazolo[1,5-a]pyridine (PubChem CID 53246159) has the molecular formula C18H13N5 and a molecular weight of 299.34 g/mol. Its IUPAC name is 2-[2-(1-methyl-4-phenylimidazol-2-yl)ethynyl]-[1,2,4]triazolo[1,5-a]pyridine.

Molecular Properties

Compound Name2-[2-(1-methyl-4-phenylimidazol-2-yl)ethynyl]-[1,2,4]triazolo[1,5-a]pyridine
PubChem CID53246159
Molecular FormulaC18H13N5
Molecular Weight299.34 g/mol
Exact Mass299.12
IUPAC Name2-[2-(1-methyl-4-phenylimidazol-2-yl)ethynyl]-[1,2,4]triazolo[1,5-a]pyridine
SMILESCn1cc(-c2ccccc2)nc1C#Cc1nc2ccccn2n1
InChIInChI=1S/C18H13N5/c1-22-13-15(14-7-3-2-4-8-14)19-17(22)11-10-16-20-18-9-5-6-12-23(18)21-16/h2-9,12-13H,1H3
InChIKeyRZUGFRIHTZOXNP-UHFFFAOYSA-N
XLogP2.53
TPSA48.01 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.34
LogP ≤ 52.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-Amino-1-Methyl-6-Phenylimidazo(4,5-b)Pyridine
CID 1530
Avapritinib
CID 118023034
Savolitinib
CID 68289010
Adipiplon
CID 11198924
Pf-05180999
CID 60143346
Vactosertib
CID 54766013
2-(Hydroxyamino)-1-methyl-6-phenylimidazo(4,5-b)pyridine
CID 104954
R121919
CID 9821250
3-(2-Pyridyl)-5,6-diphenyl-1,2,4-triazine
CID 70588
Fazadinium Bromide
CID 6321422
(R)-Zinc-3573
CID 95882507
6-Methyl-2-(4-methylphenyl)imidazo(1,2-a)pyridine
CID 667720

Frequently Asked Questions

What is the IUPAC name of 2-[2-(1-methyl-4-phenylimidazol-2-yl)ethynyl]-[1,2,4]triazolo[1,5-a]pyridine?
The IUPAC name of 2-[2-(1-methyl-4-phenylimidazol-2-yl)ethynyl]-[1,2,4]triazolo[1,5-a]pyridine (CID 53246159) is 2-[2-(1-methyl-4-phenylimidazol-2-yl)ethynyl]-[1,2,4]triazolo[1,5-a]pyridine.
What is the SMILES notation for 2-[2-(1-methyl-4-phenylimidazol-2-yl)ethynyl]-[1,2,4]triazolo[1,5-a]pyridine?
The canonical SMILES for 2-[2-(1-methyl-4-phenylimidazol-2-yl)ethynyl]-[1,2,4]triazolo[1,5-a]pyridine is Cn1cc(-c2ccccc2)nc1C#Cc1nc2ccccn2n1.
What is the InChIKey of 2-[2-(1-methyl-4-phenylimidazol-2-yl)ethynyl]-[1,2,4]triazolo[1,5-a]pyridine?
The InChIKey is RZUGFRIHTZOXNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13N5/c1-22-13-15(14-7-3-2-4-8-14)19-17(22)11-10-16-20-18-9-5-6-12-23(18)21-16/h2-9,12-13H,1H3.
What are the key properties of 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]-[1,2,4]triazolo[1,5-a]pyridine has a molecular weight of 299.34 g/mol, XLogP of 2.53, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(1-methyl-4-phenylimidazol-2-yl)ethynyl]-[1,2,4]triazolo[1,5-a]pyridine is sourced from PubChem (CID 53246159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).