5-[2-(2-fluoro-6-methoxyphenyl)ethyl]-8-(4-methyl-2-propan-2-yloxypyrimidin-5-yl)-[1,2,4]triazolo[4,3-a]pyridine

C23H24FN5O2 — CID 159970411

IUPAC5-[2-(2-fluoro-6-methoxyphenyl)ethyl]-8-(4-methyl-2-propan-2-yloxypyrimidin-5-yl)-[1,2,4]triazolo[4,3-a]pyridine
SMILESCOc1cccc(F)c1CCc1ccc(-c2cnc(OC(C)C)nc2C)c2nncn12
InChIInChI=1S/C23H24FN5O2/c1-14(2)31-23-25-12-19(15(3)27-23)17-10-8-16(29-13-26-28-22(17)29)9-11-18-20(24)6-5-7-21(18)30-4/h5-8,10,12-14H,9,11H2,1-4H3
InChIKeyOELWYKFRPQZTLS-UHFFFAOYSA-N
MW421.48 g/mol
LogP4.21
Rot. Bonds7

About 5-[2-(2-fluoro-6-methoxyphenyl)ethyl]-8-(4-methyl-2-propan-2-yloxypyrimidin-5-yl)-[1,2,4]triazolo[4,3-a]pyridine

5-[2-(2-fluoro-6-methoxyphenyl)ethyl]-8-(4-methyl-2-propan-2-yloxypyrimidin-5-yl)-[1,2,4]triazolo[4,3-a]pyridine (PubChem CID 159970411) has the molecular formula C23H24FN5O2 and a molecular weight of 421.48 g/mol. Its IUPAC name is 5-[2-(2-fluoro-6-methoxyphenyl)ethyl]-8-(4-methyl-2-propan-2-yloxypyrimidin-5-yl)-[1,2,4]triazolo[4,3-a]pyridine.

Molecular Properties

Compound Name5-[2-(2-fluoro-6-methoxyphenyl)ethyl]-8-(4-methyl-2-propan-2-yloxypyrimidin-5-yl)-[1,2,4]triazolo[4,3-a]pyridine
PubChem CID159970411
Molecular FormulaC23H24FN5O2
Molecular Weight421.48 g/mol
Exact Mass421.19
IUPAC Name5-[2-(2-fluoro-6-methoxyphenyl)ethyl]-8-(4-methyl-2-propan-2-yloxypyrimidin-5-yl)-[1,2,4]triazolo[4,3-a]pyridine
SMILESCOc1cccc(F)c1CCc1ccc(-c2cnc(OC(C)C)nc2C)c2nncn12
InChIInChI=1S/C23H24FN5O2/c1-14(2)31-23-25-12-19(15(3)27-23)17-10-8-16(29-13-26-28-22(17)29)9-11-18-20(24)6-5-7-21(18)30-4/h5-8,10,12-14H,9,11H2,1-4H3
InChIKeyOELWYKFRPQZTLS-UHFFFAOYSA-N
XLogP4.21
TPSA74.43 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.48
LogP ≤ 54.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-[2-(2-fluoro-6-methoxyphenyl)ethyl]-8-(4-methyl-2-propan-2-yloxypyrimidin-5-yl)-[1,2,4]triazolo[4,3-a]pyridine?
The IUPAC name of 5-[2-(2-fluoro-6-methoxyphenyl)ethyl]-8-(4-methyl-2-propan-2-yloxypyrimidin-5-yl)-[1,2,4]triazolo[4,3-a]pyridine (CID 159970411) is 5-[2-(2-fluoro-6-methoxyphenyl)ethyl]-8-(4-methyl-2-propan-2-yloxypyrimidin-5-yl)-[1,2,4]triazolo[4,3-a]pyridine.
What is the SMILES notation for 5-[2-(2-fluoro-6-methoxyphenyl)ethyl]-8-(4-methyl-2-propan-2-yloxypyrimidin-5-yl)-[1,2,4]triazolo[4,3-a]pyridine?
The canonical SMILES for 5-[2-(2-fluoro-6-methoxyphenyl)ethyl]-8-(4-methyl-2-propan-2-yloxypyrimidin-5-yl)-[1,2,4]triazolo[4,3-a]pyridine is COc1cccc(F)c1CCc1ccc(-c2cnc(OC(C)C)nc2C)c2nncn12.
What is the InChIKey of 5-[2-(2-fluoro-6-methoxyphenyl)ethyl]-8-(4-methyl-2-propan-2-yloxypyrimidin-5-yl)-[1,2,4]triazolo[4,3-a]pyridine?
The InChIKey is OELWYKFRPQZTLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24FN5O2/c1-14(2)31-23-25-12-19(15(3)27-23)17-10-8-16(29-13-26-28-22(17)29)9-11-18-20(24)6-5-7-21(18)30-4/h5-8,10,12-14H,9,11H2,1-4H3.
What are the key properties of 5-[2-(2-fluoro-6-methoxyphenyl)ethyl]-8-(4-methyl-2-propan-2-yloxypyrimidin-5-yl)-[1,2,4]triazolo[4,3-a]pyridine?
5-[2-(2-fluoro-6-methoxyphenyl)ethyl]-8-(4-methyl-2-propan-2-yloxypyrimidin-5-yl)-[1,2,4]triazolo[4,3-a]pyridine has a molecular weight of 421.48 g/mol, XLogP of 4.21, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(2-fluoro-6-methoxyphenyl)ethyl]-8-(4-methyl-2-propan-2-yloxypyrimidin-5-yl)-[1,2,4]triazolo[4,3-a]pyridine is sourced from PubChem (CID 159970411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).