3-(2-methoxypyrimidin-5-yl)-6-(3-propan-2-ylphenyl)-[1,2,4]triazolo[4,3-a]pyridine

C20H19N5O — CID 162668926

IUPAC3-(2-methoxypyrimidin-5-yl)-6-(3-propan-2-ylphenyl)-[1,2,4]triazolo[4,3-a]pyridine
SMILESCOc1ncc(-c2nnc3ccc(-c4cccc(C(C)C)c4)cn23)cn1
InChIInChI=1S/C20H19N5O/c1-13(2)14-5-4-6-15(9-14)16-7-8-18-23-24-19(25(18)12-16)17-10-21-20(26-3)22-11-17/h4-13H,1-3H3
InChIKeyULZPFOLRHKOXSF-UHFFFAOYSA-N
MW345.41 g/mol
LogP3.99
Rot. Bonds4

About 3-(2-methoxypyrimidin-5-yl)-6-(3-propan-2-ylphenyl)-[1,2,4]triazolo[4,3-a]pyridine

3-(2-methoxypyrimidin-5-yl)-6-(3-propan-2-ylphenyl)-[1,2,4]triazolo[4,3-a]pyridine (PubChem CID 162668926) has the molecular formula C20H19N5O and a molecular weight of 345.41 g/mol. Its IUPAC name is 3-(2-methoxypyrimidin-5-yl)-6-(3-propan-2-ylphenyl)-[1,2,4]triazolo[4,3-a]pyridine.

Molecular Properties

Compound Name3-(2-methoxypyrimidin-5-yl)-6-(3-propan-2-ylphenyl)-[1,2,4]triazolo[4,3-a]pyridine
PubChem CID162668926
Molecular FormulaC20H19N5O
Molecular Weight345.41 g/mol
Exact Mass345.16
IUPAC Name3-(2-methoxypyrimidin-5-yl)-6-(3-propan-2-ylphenyl)-[1,2,4]triazolo[4,3-a]pyridine
SMILESCOc1ncc(-c2nnc3ccc(-c4cccc(C(C)C)c4)cn23)cn1
InChIInChI=1S/C20H19N5O/c1-13(2)14-5-4-6-15(9-14)16-7-8-18-23-24-19(25(18)12-16)17-10-21-20(26-3)22-11-17/h4-13H,1-3H3
InChIKeyULZPFOLRHKOXSF-UHFFFAOYSA-N
XLogP3.99
TPSA65.20 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.41
LogP ≤ 53.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-(2-methoxypyrimidin-5-yl)-6-(3-propan-2-ylphenyl)-[1,2,4]triazolo[4,3-a]pyridine?
The IUPAC name of 3-(2-methoxypyrimidin-5-yl)-6-(3-propan-2-ylphenyl)-[1,2,4]triazolo[4,3-a]pyridine (CID 162668926) is 3-(2-methoxypyrimidin-5-yl)-6-(3-propan-2-ylphenyl)-[1,2,4]triazolo[4,3-a]pyridine.
What is the SMILES notation for 3-(2-methoxypyrimidin-5-yl)-6-(3-propan-2-ylphenyl)-[1,2,4]triazolo[4,3-a]pyridine?
The canonical SMILES for 3-(2-methoxypyrimidin-5-yl)-6-(3-propan-2-ylphenyl)-[1,2,4]triazolo[4,3-a]pyridine is COc1ncc(-c2nnc3ccc(-c4cccc(C(C)C)c4)cn23)cn1.
What is the InChIKey of 3-(2-methoxypyrimidin-5-yl)-6-(3-propan-2-ylphenyl)-[1,2,4]triazolo[4,3-a]pyridine?
The InChIKey is ULZPFOLRHKOXSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N5O/c1-13(2)14-5-4-6-15(9-14)16-7-8-18-23-24-19(25(18)12-16)17-10-21-20(26-3)22-11-17/h4-13H,1-3H3.
What are the key properties of 3-(2-methoxypyrimidin-5-yl)-6-(3-propan-2-ylphenyl)-[1,2,4]triazolo[4,3-a]pyridine?
3-(2-methoxypyrimidin-5-yl)-6-(3-propan-2-ylphenyl)-[1,2,4]triazolo[4,3-a]pyridine has a molecular weight of 345.41 g/mol, XLogP of 3.99, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methoxypyrimidin-5-yl)-6-(3-propan-2-ylphenyl)-[1,2,4]triazolo[4,3-a]pyridine is sourced from PubChem (CID 162668926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).