3-(6-methoxy-2-pyridinyl)-6-(3-propan-2-yloxyphenyl)-[1,2,4]triazolo[4,3-a]pyridine

C21H20N4O2 — CID 162666394

IUPAC3-(6-methoxy-2-pyridinyl)-6-(3-propan-2-yloxyphenyl)-[1,2,4]triazolo[4,3-a]pyridine
SMILESCOc1cccc(-c2nnc3ccc(-c4cccc(OC(C)C)c4)cn23)n1
InChIInChI=1S/C21H20N4O2/c1-14(2)27-17-7-4-6-15(12-17)16-10-11-19-23-24-21(25(19)13-16)18-8-5-9-20(22-18)26-3/h4-14H,1-3H3
InChIKeyYYKNPQRSCYNVND-UHFFFAOYSA-N
MW360.42 g/mol
LogP4.25
Rot. Bonds5

About 3-(6-methoxy-2-pyridinyl)-6-(3-propan-2-yloxyphenyl)-[1,2,4]triazolo[4,3-a]pyridine

3-(6-methoxy-2-pyridinyl)-6-(3-propan-2-yloxyphenyl)-[1,2,4]triazolo[4,3-a]pyridine (PubChem CID 162666394) has the molecular formula C21H20N4O2 and a molecular weight of 360.42 g/mol. Its IUPAC name is 3-(6-methoxy-2-pyridinyl)-6-(3-propan-2-yloxyphenyl)-[1,2,4]triazolo[4,3-a]pyridine.

Molecular Properties

Compound Name3-(6-methoxy-2-pyridinyl)-6-(3-propan-2-yloxyphenyl)-[1,2,4]triazolo[4,3-a]pyridine
PubChem CID162666394
Molecular FormulaC21H20N4O2
Molecular Weight360.42 g/mol
Exact Mass360.16
IUPAC Name3-(6-methoxy-2-pyridinyl)-6-(3-propan-2-yloxyphenyl)-[1,2,4]triazolo[4,3-a]pyridine
SMILESCOc1cccc(-c2nnc3ccc(-c4cccc(OC(C)C)c4)cn23)n1
InChIInChI=1S/C21H20N4O2/c1-14(2)27-17-7-4-6-15(12-17)16-10-11-19-23-24-21(25(19)13-16)18-8-5-9-20(22-18)26-3/h4-14H,1-3H3
InChIKeyYYKNPQRSCYNVND-UHFFFAOYSA-N
XLogP4.25
TPSA61.54 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.42
LogP ≤ 54.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 3-(6-methoxy-2-pyridinyl)-6-(3-propan-2-yloxyphenyl)-[1,2,4]triazolo[4,3-a]pyridine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 3-(6-methoxy-2-pyridinyl)-6-(3-propan-2-yloxyphenyl)-[1,2,4]triazolo[4,3-a]pyridine?
The IUPAC name of 3-(6-methoxy-2-pyridinyl)-6-(3-propan-2-yloxyphenyl)-[1,2,4]triazolo[4,3-a]pyridine (CID 162666394) is 3-(6-methoxy-2-pyridinyl)-6-(3-propan-2-yloxyphenyl)-[1,2,4]triazolo[4,3-a]pyridine.
What is the SMILES notation for 3-(6-methoxy-2-pyridinyl)-6-(3-propan-2-yloxyphenyl)-[1,2,4]triazolo[4,3-a]pyridine?
The canonical SMILES for 3-(6-methoxy-2-pyridinyl)-6-(3-propan-2-yloxyphenyl)-[1,2,4]triazolo[4,3-a]pyridine is COc1cccc(-c2nnc3ccc(-c4cccc(OC(C)C)c4)cn23)n1.
What is the InChIKey of 3-(6-methoxy-2-pyridinyl)-6-(3-propan-2-yloxyphenyl)-[1,2,4]triazolo[4,3-a]pyridine?
The InChIKey is YYKNPQRSCYNVND-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N4O2/c1-14(2)27-17-7-4-6-15(12-17)16-10-11-19-23-24-21(25(19)13-16)18-8-5-9-20(22-18)26-3/h4-14H,1-3H3.
What are the key properties of 3-(6-methoxy-2-pyridinyl)-6-(3-propan-2-yloxyphenyl)-[1,2,4]triazolo[4,3-a]pyridine?
3-(6-methoxy-2-pyridinyl)-6-(3-propan-2-yloxyphenyl)-[1,2,4]triazolo[4,3-a]pyridine has a molecular weight of 360.42 g/mol, XLogP of 4.25, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(6-methoxy-2-pyridinyl)-6-(3-propan-2-yloxyphenyl)-[1,2,4]triazolo[4,3-a]pyridine is sourced from PubChem (CID 162666394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).