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

C21H20N4O — CID 162670461

IUPAC3-(2-methoxy-4-pyridinyl)-6-(3-propan-2-ylphenyl)-[1,2,4]triazolo[4,3-a]pyridine
SMILESCOc1cc(-c2nnc3ccc(-c4cccc(C(C)C)c4)cn23)ccn1
InChIInChI=1S/C21H20N4O/c1-14(2)15-5-4-6-16(11-15)18-7-8-19-23-24-21(25(19)13-18)17-9-10-22-20(12-17)26-3/h4-14H,1-3H3
InChIKeyYKXHKLNMFOYOCD-UHFFFAOYSA-N
MW344.42 g/mol
LogP4.59
Rot. Bonds4

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

3-(2-methoxy-4-pyridinyl)-6-(3-propan-2-ylphenyl)-[1,2,4]triazolo[4,3-a]pyridine (PubChem CID 162670461) has the molecular formula C21H20N4O and a molecular weight of 344.42 g/mol. Its IUPAC name is 3-(2-methoxy-4-pyridinyl)-6-(3-propan-2-ylphenyl)-[1,2,4]triazolo[4,3-a]pyridine.

Molecular Properties

Compound Name3-(2-methoxy-4-pyridinyl)-6-(3-propan-2-ylphenyl)-[1,2,4]triazolo[4,3-a]pyridine
PubChem CID162670461
Molecular FormulaC21H20N4O
Molecular Weight344.42 g/mol
Exact Mass344.16
IUPAC Name3-(2-methoxy-4-pyridinyl)-6-(3-propan-2-ylphenyl)-[1,2,4]triazolo[4,3-a]pyridine
SMILESCOc1cc(-c2nnc3ccc(-c4cccc(C(C)C)c4)cn23)ccn1
InChIInChI=1S/C21H20N4O/c1-14(2)15-5-4-6-16(11-15)18-7-8-19-23-24-21(25(19)13-18)17-9-10-22-20(12-17)26-3/h4-14H,1-3H3
InChIKeyYKXHKLNMFOYOCD-UHFFFAOYSA-N
XLogP4.59
TPSA52.31 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.42
LogP ≤ 54.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(2-methoxy-4-pyridinyl)-6-(3-propan-2-ylphenyl)-[1,2,4]triazolo[4,3-a]pyridine?
The IUPAC name of 3-(2-methoxy-4-pyridinyl)-6-(3-propan-2-ylphenyl)-[1,2,4]triazolo[4,3-a]pyridine (CID 162670461) is 3-(2-methoxy-4-pyridinyl)-6-(3-propan-2-ylphenyl)-[1,2,4]triazolo[4,3-a]pyridine.
What is the SMILES notation for 3-(2-methoxy-4-pyridinyl)-6-(3-propan-2-ylphenyl)-[1,2,4]triazolo[4,3-a]pyridine?
The canonical SMILES for 3-(2-methoxy-4-pyridinyl)-6-(3-propan-2-ylphenyl)-[1,2,4]triazolo[4,3-a]pyridine is COc1cc(-c2nnc3ccc(-c4cccc(C(C)C)c4)cn23)ccn1.
What is the InChIKey of 3-(2-methoxy-4-pyridinyl)-6-(3-propan-2-ylphenyl)-[1,2,4]triazolo[4,3-a]pyridine?
The InChIKey is YKXHKLNMFOYOCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N4O/c1-14(2)15-5-4-6-16(11-15)18-7-8-19-23-24-21(25(19)13-18)17-9-10-22-20(12-17)26-3/h4-14H,1-3H3.
What are the key properties of 3-(2-methoxy-4-pyridinyl)-6-(3-propan-2-ylphenyl)-[1,2,4]triazolo[4,3-a]pyridine?
3-(2-methoxy-4-pyridinyl)-6-(3-propan-2-ylphenyl)-[1,2,4]triazolo[4,3-a]pyridine has a molecular weight of 344.42 g/mol, XLogP of 4.59, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methoxy-4-pyridinyl)-6-(3-propan-2-ylphenyl)-[1,2,4]triazolo[4,3-a]pyridine is sourced from PubChem (CID 162670461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).