6-(4-fluoro-2-methoxyphenyl)-3-(3,4,5-trimethoxyphenyl)-[1,2,4]triazolo[4,3-a]pyridine

C22H20FN3O4 — CID 162663563

IUPAC6-(4-fluoro-2-methoxyphenyl)-3-(3,4,5-trimethoxyphenyl)-[1,2,4]triazolo[4,3-a]pyridine
SMILESCOc1cc(F)ccc1-c1ccc2nnc(-c3cc(OC)c(OC)c(OC)c3)n2c1
InChIInChI=1S/C22H20FN3O4/c1-27-17-11-15(23)6-7-16(17)13-5-8-20-24-25-22(26(20)12-13)14-9-18(28-2)21(30-4)19(10-14)29-3/h5-12H,1-4H3
InChIKeyFARXKQXOPHEXRW-UHFFFAOYSA-N
MW409.42 g/mol
LogP4.24
Rot. Bonds6

About 6-(4-fluoro-2-methoxyphenyl)-3-(3,4,5-trimethoxyphenyl)-[1,2,4]triazolo[4,3-a]pyridine

6-(4-fluoro-2-methoxyphenyl)-3-(3,4,5-trimethoxyphenyl)-[1,2,4]triazolo[4,3-a]pyridine (PubChem CID 162663563) has the molecular formula C22H20FN3O4 and a molecular weight of 409.42 g/mol. Its IUPAC name is 6-(4-fluoro-2-methoxyphenyl)-3-(3,4,5-trimethoxyphenyl)-[1,2,4]triazolo[4,3-a]pyridine.

Molecular Properties

Compound Name6-(4-fluoro-2-methoxyphenyl)-3-(3,4,5-trimethoxyphenyl)-[1,2,4]triazolo[4,3-a]pyridine
PubChem CID162663563
Molecular FormulaC22H20FN3O4
Molecular Weight409.42 g/mol
Exact Mass409.14
IUPAC Name6-(4-fluoro-2-methoxyphenyl)-3-(3,4,5-trimethoxyphenyl)-[1,2,4]triazolo[4,3-a]pyridine
SMILESCOc1cc(F)ccc1-c1ccc2nnc(-c3cc(OC)c(OC)c(OC)c3)n2c1
InChIInChI=1S/C22H20FN3O4/c1-27-17-11-15(23)6-7-16(17)13-5-8-20-24-25-22(26(20)12-13)14-9-18(28-2)21(30-4)19(10-14)29-3/h5-12H,1-4H3
InChIKeyFARXKQXOPHEXRW-UHFFFAOYSA-N
XLogP4.24
TPSA67.11 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.42
LogP ≤ 54.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 6-(4-fluoro-2-methoxyphenyl)-3-(3,4,5-trimethoxyphenyl)-[1,2,4]triazolo[4,3-a]pyridine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 6-(4-fluoro-2-methoxyphenyl)-3-(3,4,5-trimethoxyphenyl)-[1,2,4]triazolo[4,3-a]pyridine?
The IUPAC name of 6-(4-fluoro-2-methoxyphenyl)-3-(3,4,5-trimethoxyphenyl)-[1,2,4]triazolo[4,3-a]pyridine (CID 162663563) is 6-(4-fluoro-2-methoxyphenyl)-3-(3,4,5-trimethoxyphenyl)-[1,2,4]triazolo[4,3-a]pyridine.
What is the SMILES notation for 6-(4-fluoro-2-methoxyphenyl)-3-(3,4,5-trimethoxyphenyl)-[1,2,4]triazolo[4,3-a]pyridine?
The canonical SMILES for 6-(4-fluoro-2-methoxyphenyl)-3-(3,4,5-trimethoxyphenyl)-[1,2,4]triazolo[4,3-a]pyridine is COc1cc(F)ccc1-c1ccc2nnc(-c3cc(OC)c(OC)c(OC)c3)n2c1.
What is the InChIKey of 6-(4-fluoro-2-methoxyphenyl)-3-(3,4,5-trimethoxyphenyl)-[1,2,4]triazolo[4,3-a]pyridine?
The InChIKey is FARXKQXOPHEXRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20FN3O4/c1-27-17-11-15(23)6-7-16(17)13-5-8-20-24-25-22(26(20)12-13)14-9-18(28-2)21(30-4)19(10-14)29-3/h5-12H,1-4H3.
What are the key properties of 6-(4-fluoro-2-methoxyphenyl)-3-(3,4,5-trimethoxyphenyl)-[1,2,4]triazolo[4,3-a]pyridine?
6-(4-fluoro-2-methoxyphenyl)-3-(3,4,5-trimethoxyphenyl)-[1,2,4]triazolo[4,3-a]pyridine has a molecular weight of 409.42 g/mol, XLogP of 4.24, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-fluoro-2-methoxyphenyl)-3-(3,4,5-trimethoxyphenyl)-[1,2,4]triazolo[4,3-a]pyridine is sourced from PubChem (CID 162663563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).