8-methoxy-2-[2-(5-pyridin-3-yl-1H-imidazol-2-yl)ethyl]-[1,2,4]triazolo[1,5-a]pyridine

C17H16N6O — CID 53250045

IUPAC8-methoxy-2-[2-(5-pyridin-3-yl-1H-imidazol-2-yl)ethyl]-[1,2,4]triazolo[1,5-a]pyridine
SMILESCOc1cccn2nc(CCc3ncc(-c4cccnc4)[nH]3)nc12
InChIInChI=1S/C17H16N6O/c1-24-14-5-3-9-23-17(14)21-16(22-23)7-6-15-19-11-13(20-15)12-4-2-8-18-10-12/h2-5,8-11H,6-7H2,1H3,(H,19,20)
InChIKeyGVRFKYYPMLTTQA-UHFFFAOYSA-N
MW320.36 g/mol
LogP2.31
Rot. Bonds5

About 8-methoxy-2-[2-(5-pyridin-3-yl-1H-imidazol-2-yl)ethyl]-[1,2,4]triazolo[1,5-a]pyridine

8-methoxy-2-[2-(5-pyridin-3-yl-1H-imidazol-2-yl)ethyl]-[1,2,4]triazolo[1,5-a]pyridine (PubChem CID 53250045) has the molecular formula C17H16N6O and a molecular weight of 320.36 g/mol. Its IUPAC name is 8-methoxy-2-[2-(5-pyridin-3-yl-1H-imidazol-2-yl)ethyl]-[1,2,4]triazolo[1,5-a]pyridine.

Molecular Properties

Compound Name8-methoxy-2-[2-(5-pyridin-3-yl-1H-imidazol-2-yl)ethyl]-[1,2,4]triazolo[1,5-a]pyridine
PubChem CID53250045
Molecular FormulaC17H16N6O
Molecular Weight320.36 g/mol
Exact Mass320.14
IUPAC Name8-methoxy-2-[2-(5-pyridin-3-yl-1H-imidazol-2-yl)ethyl]-[1,2,4]triazolo[1,5-a]pyridine
SMILESCOc1cccn2nc(CCc3ncc(-c4cccnc4)[nH]3)nc12
InChIInChI=1S/C17H16N6O/c1-24-14-5-3-9-23-17(14)21-16(22-23)7-6-15-19-11-13(20-15)12-4-2-8-18-10-12/h2-5,8-11H,6-7H2,1H3,(H,19,20)
InChIKeyGVRFKYYPMLTTQA-UHFFFAOYSA-N
XLogP2.31
TPSA80.99 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.36
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 8-methoxy-2-[2-(5-pyridin-3-yl-1H-imidazol-2-yl)ethyl]-[1,2,4]triazolo[1,5-a]pyridine with MolForge

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Related Compounds

7-methoxy-N-[(6-phenyl[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl]-1,5-naphthyridin-4-amine
CID 25064730
US10399985, Example 36
CID 118288233
US10399985, Example 41
CID 118288257
US10399985, Example 45
CID 122693993
(S)-1-(3-methoxy-6-(6-(6-methylpyrazin-2-yl)-1H-pyrazolo[4,3-c]pyridin-1-yl)pyridin-2-yl)piperidin-3-amine
CID 77050662
6-[7-methoxy-6-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyridin-3-yl]-N-pyrrolidin-3-ylpyridin-2-amine
CID 134284285
N-((5-(3-(5-methoxy-1H-benzo[d]imidazol-2-yl)-1H-pyrazolo[3,4-b]pyridin-5-yl)pyridin-3-yl)methyl)ethanamine
CID 135497841
N-[(3S,4S)-4-fluoropyrrolidin-3-yl]-6-(6-methoxyimidazo[1,2-a]pyridin-3-yl)pyridin-2-amine
CID 163752818
2-Methyl-6-((6-(pyrrolidin-1-yl)pyridin-2-yl)methoxy)imidazo[1,2-b]pyridazine
CID 72706867
US10399985, Example 35
CID 118278137
US10399985, Example 32
CID 118278218
US10399985, Example 34
CID 118278242

Frequently Asked Questions

What is the IUPAC name of 8-methoxy-2-[2-(5-pyridin-3-yl-1H-imidazol-2-yl)ethyl]-[1,2,4]triazolo[1,5-a]pyridine?
The IUPAC name of 8-methoxy-2-[2-(5-pyridin-3-yl-1H-imidazol-2-yl)ethyl]-[1,2,4]triazolo[1,5-a]pyridine (CID 53250045) is 8-methoxy-2-[2-(5-pyridin-3-yl-1H-imidazol-2-yl)ethyl]-[1,2,4]triazolo[1,5-a]pyridine.
What is the SMILES notation for 8-methoxy-2-[2-(5-pyridin-3-yl-1H-imidazol-2-yl)ethyl]-[1,2,4]triazolo[1,5-a]pyridine?
The canonical SMILES for 8-methoxy-2-[2-(5-pyridin-3-yl-1H-imidazol-2-yl)ethyl]-[1,2,4]triazolo[1,5-a]pyridine is COc1cccn2nc(CCc3ncc(-c4cccnc4)[nH]3)nc12.
What is the InChIKey of 8-methoxy-2-[2-(5-pyridin-3-yl-1H-imidazol-2-yl)ethyl]-[1,2,4]triazolo[1,5-a]pyridine?
The InChIKey is GVRFKYYPMLTTQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N6O/c1-24-14-5-3-9-23-17(14)21-16(22-23)7-6-15-19-11-13(20-15)12-4-2-8-18-10-12/h2-5,8-11H,6-7H2,1H3,(H,19,20).
What are the key properties of 8-methoxy-2-[2-(5-pyridin-3-yl-1H-imidazol-2-yl)ethyl]-[1,2,4]triazolo[1,5-a]pyridine?
8-methoxy-2-[2-(5-pyridin-3-yl-1H-imidazol-2-yl)ethyl]-[1,2,4]triazolo[1,5-a]pyridine has a molecular weight of 320.36 g/mol, XLogP of 2.31, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methoxy-2-[2-(5-pyridin-3-yl-1H-imidazol-2-yl)ethyl]-[1,2,4]triazolo[1,5-a]pyridine is sourced from PubChem (CID 53250045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).