2-(4-fluoro-3-methylphenyl)-5-[5-(methoxymethyl)-4-(6-methoxy-3-pyridinyl)-1,2,4-triazol-3-yl]pyrazine

C21H19FN6O2 — CID 44577939

IUPAC2-(4-fluoro-3-methylphenyl)-5-[5-(methoxymethyl)-4-(6-methoxy-3-pyridinyl)-1,2,4-triazol-3-yl]pyrazine
SMILESCOCc1nnc(-c2cnc(-c3ccc(F)c(C)c3)cn2)n1-c1ccc(OC)nc1
InChIInChI=1S/C21H19FN6O2/c1-13-8-14(4-6-16(13)22)17-10-24-18(11-23-17)21-27-26-19(12-29-2)28(21)15-5-7-20(30-3)25-9-15/h4-11H,12H2,1-3H3
InChIKeyQTPGBEHBPOZUSK-UHFFFAOYSA-N
MW406.42 g/mol
LogP3.39
Rot. Bonds6

About 2-(4-fluoro-3-methylphenyl)-5-[5-(methoxymethyl)-4-(6-methoxy-3-pyridinyl)-1,2,4-triazol-3-yl]pyrazine

2-(4-fluoro-3-methylphenyl)-5-[5-(methoxymethyl)-4-(6-methoxy-3-pyridinyl)-1,2,4-triazol-3-yl]pyrazine (PubChem CID 44577939) has the molecular formula C21H19FN6O2 and a molecular weight of 406.42 g/mol. Its IUPAC name is 2-(4-fluoro-3-methylphenyl)-5-[5-(methoxymethyl)-4-(6-methoxy-3-pyridinyl)-1,2,4-triazol-3-yl]pyrazine.

Molecular Properties

Compound Name2-(4-fluoro-3-methylphenyl)-5-[5-(methoxymethyl)-4-(6-methoxy-3-pyridinyl)-1,2,4-triazol-3-yl]pyrazine
PubChem CID44577939
Molecular FormulaC21H19FN6O2
Molecular Weight406.42 g/mol
Exact Mass406.16
IUPAC Name2-(4-fluoro-3-methylphenyl)-5-[5-(methoxymethyl)-4-(6-methoxy-3-pyridinyl)-1,2,4-triazol-3-yl]pyrazine
SMILESCOCc1nnc(-c2cnc(-c3ccc(F)c(C)c3)cn2)n1-c1ccc(OC)nc1
InChIInChI=1S/C21H19FN6O2/c1-13-8-14(4-6-16(13)22)17-10-24-18(11-23-17)21-27-26-19(12-29-2)28(21)15-5-7-20(30-3)25-9-15/h4-11H,12H2,1-3H3
InChIKeyQTPGBEHBPOZUSK-UHFFFAOYSA-N
XLogP3.39
TPSA87.84 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.42
LogP ≤ 53.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 2-(4-fluoro-3-methylphenyl)-5-[5-(methoxymethyl)-4-(6-methoxy-3-pyridinyl)-1,2,4-triazol-3-yl]pyrazine with MolForge

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Related Compounds

E-2212
CID 46854987
(1S,5R)-1-(2-chloro-4-fluorophenyl)-3-[5-(methoxymethyl)-4-(6-methoxy-3-pyridinyl)-1,2,4-triazol-3-yl]-3-azabicyclo[3.1.0]hexane
CID 135192983
US10399985, Example 36
CID 118288233
US10399985, Example 45
CID 122693993
7-(2-fluorophenyl)-2-((2-methyl-2H-1,2,4-triazol-3-yl)methoxy)-3-phenylpyrazolo[1,5-d][1,2,4]triazine
CID 9865768
2-(2-chloro-3-fluorophenyl)-5-(4-(6-methoxypyridin-3-yl)-5-methyl-4H-1,2,4-triazol-3-yl)pyrazine
CID 11848692
7-(2-fluorophenyl)-2-((2-methyl-2H-1,2,4-triazol-3-yl)methoxy)-3-(pyridin-3-yl)pyrazolo[1,5-d][1,2,4]triazine
CID 18406917
5-(3-(4-(3,5-difluoro-2-methylphenoxy)piperidin-1-yl)-5-methyl-4H-1,2,4-triazol-4-yl)-2-methoxypyridine
CID 46225048
3-[(1R)-1-[5-fluoro-2-(triazol-2-yl)phenyl]ethoxy]-5-(2-methoxy-3-pyridinyl)pyrazin-2-amine
CID 89713230
Prax-562
CID 147075611
US10399985, Example 35
CID 118278137
US10399985, Example 32
CID 118278218

Frequently Asked Questions

What is the IUPAC name of 2-(4-fluoro-3-methylphenyl)-5-[5-(methoxymethyl)-4-(6-methoxy-3-pyridinyl)-1,2,4-triazol-3-yl]pyrazine?
The IUPAC name of 2-(4-fluoro-3-methylphenyl)-5-[5-(methoxymethyl)-4-(6-methoxy-3-pyridinyl)-1,2,4-triazol-3-yl]pyrazine (CID 44577939) is 2-(4-fluoro-3-methylphenyl)-5-[5-(methoxymethyl)-4-(6-methoxy-3-pyridinyl)-1,2,4-triazol-3-yl]pyrazine.
What is the SMILES notation for 2-(4-fluoro-3-methylphenyl)-5-[5-(methoxymethyl)-4-(6-methoxy-3-pyridinyl)-1,2,4-triazol-3-yl]pyrazine?
The canonical SMILES for 2-(4-fluoro-3-methylphenyl)-5-[5-(methoxymethyl)-4-(6-methoxy-3-pyridinyl)-1,2,4-triazol-3-yl]pyrazine is COCc1nnc(-c2cnc(-c3ccc(F)c(C)c3)cn2)n1-c1ccc(OC)nc1.
What is the InChIKey of 2-(4-fluoro-3-methylphenyl)-5-[5-(methoxymethyl)-4-(6-methoxy-3-pyridinyl)-1,2,4-triazol-3-yl]pyrazine?
The InChIKey is QTPGBEHBPOZUSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19FN6O2/c1-13-8-14(4-6-16(13)22)17-10-24-18(11-23-17)21-27-26-19(12-29-2)28(21)15-5-7-20(30-3)25-9-15/h4-11H,12H2,1-3H3.
What are the key properties of 2-(4-fluoro-3-methylphenyl)-5-[5-(methoxymethyl)-4-(6-methoxy-3-pyridinyl)-1,2,4-triazol-3-yl]pyrazine?
2-(4-fluoro-3-methylphenyl)-5-[5-(methoxymethyl)-4-(6-methoxy-3-pyridinyl)-1,2,4-triazol-3-yl]pyrazine has a molecular weight of 406.42 g/mol, XLogP of 3.39, 6 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluoro-3-methylphenyl)-5-[5-(methoxymethyl)-4-(6-methoxy-3-pyridinyl)-1,2,4-triazol-3-yl]pyrazine is sourced from PubChem (CID 44577939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).