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

C23H16N6 — CID 53246749

IUPAC2-[2-(1-methyl-4-phenylimidazol-2-yl)ethynyl]-8-pyridin-4-yl-[1,2,4]triazolo[1,5-a]pyridine
SMILESCn1cc(-c2ccccc2)nc1C#Cc1nc2c(-c3ccncc3)cccn2n1
InChIInChI=1S/C23H16N6/c1-28-16-20(18-6-3-2-4-7-18)25-22(28)10-9-21-26-23-19(8-5-15-29(23)27-21)17-11-13-24-14-12-17/h2-8,11-16H,1H3
InChIKeyNOYRUCPZYBTXIA-UHFFFAOYSA-N
MW376.42 g/mol
LogP3.59
Rot. Bonds2

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

2-[2-(1-methyl-4-phenylimidazol-2-yl)ethynyl]-8-pyridin-4-yl-[1,2,4]triazolo[1,5-a]pyridine (PubChem CID 53246749) has the molecular formula C23H16N6 and a molecular weight of 376.42 g/mol. Its IUPAC name is 2-[2-(1-methyl-4-phenylimidazol-2-yl)ethynyl]-8-pyridin-4-yl-[1,2,4]triazolo[1,5-a]pyridine.

Molecular Properties

Compound Name2-[2-(1-methyl-4-phenylimidazol-2-yl)ethynyl]-8-pyridin-4-yl-[1,2,4]triazolo[1,5-a]pyridine
PubChem CID53246749
Molecular FormulaC23H16N6
Molecular Weight376.42 g/mol
Exact Mass376.14
IUPAC Name2-[2-(1-methyl-4-phenylimidazol-2-yl)ethynyl]-8-pyridin-4-yl-[1,2,4]triazolo[1,5-a]pyridine
SMILESCn1cc(-c2ccccc2)nc1C#Cc1nc2c(-c3ccncc3)cccn2n1
InChIInChI=1S/C23H16N6/c1-28-16-20(18-6-3-2-4-7-18)25-22(28)10-9-21-26-23-19(8-5-15-29(23)27-21)17-11-13-24-14-12-17/h2-8,11-16H,1H3
InChIKeyNOYRUCPZYBTXIA-UHFFFAOYSA-N
XLogP3.59
TPSA60.90 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.42
LogP ≤ 53.59
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 2-[2-(1-methyl-4-phenylimidazol-2-yl)ethynyl]-8-pyridin-4-yl-[1,2,4]triazolo[1,5-a]pyridine?
The IUPAC name of 2-[2-(1-methyl-4-phenylimidazol-2-yl)ethynyl]-8-pyridin-4-yl-[1,2,4]triazolo[1,5-a]pyridine (CID 53246749) is 2-[2-(1-methyl-4-phenylimidazol-2-yl)ethynyl]-8-pyridin-4-yl-[1,2,4]triazolo[1,5-a]pyridine.
What is the SMILES notation for 2-[2-(1-methyl-4-phenylimidazol-2-yl)ethynyl]-8-pyridin-4-yl-[1,2,4]triazolo[1,5-a]pyridine?
The canonical SMILES for 2-[2-(1-methyl-4-phenylimidazol-2-yl)ethynyl]-8-pyridin-4-yl-[1,2,4]triazolo[1,5-a]pyridine is Cn1cc(-c2ccccc2)nc1C#Cc1nc2c(-c3ccncc3)cccn2n1.
What is the InChIKey of 2-[2-(1-methyl-4-phenylimidazol-2-yl)ethynyl]-8-pyridin-4-yl-[1,2,4]triazolo[1,5-a]pyridine?
The InChIKey is NOYRUCPZYBTXIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H16N6/c1-28-16-20(18-6-3-2-4-7-18)25-22(28)10-9-21-26-23-19(8-5-15-29(23)27-21)17-11-13-24-14-12-17/h2-8,11-16H,1H3.
What are the key properties of 2-[2-(1-methyl-4-phenylimidazol-2-yl)ethynyl]-8-pyridin-4-yl-[1,2,4]triazolo[1,5-a]pyridine?
2-[2-(1-methyl-4-phenylimidazol-2-yl)ethynyl]-8-pyridin-4-yl-[1,2,4]triazolo[1,5-a]pyridine has a molecular weight of 376.42 g/mol, XLogP of 3.59, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(1-methyl-4-phenylimidazol-2-yl)ethynyl]-8-pyridin-4-yl-[1,2,4]triazolo[1,5-a]pyridine is sourced from PubChem (CID 53246749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).