7-(2-fluorophenyl)-4-methyl-2-[(1-methyl-1,2,4-triazol-3-yl)methoxy]-3-thiophen-3-ylpyrazolo[1,5-d][1,2,4]triazine

C20H16FN7OS — CID 10223961

IUPAC7-(2-fluorophenyl)-4-methyl-2-[(1-methyl-1,2,4-triazol-3-yl)methoxy]-3-thiophen-3-ylpyrazolo[1,5-d][1,2,4]triazine
SMILESCc1nnc(-c2ccccc2F)n2nc(OCc3ncn(C)n3)c(-c3ccsc3)c12
InChIInChI=1S/C20H16FN7OS/c1-12-18-17(13-7-8-30-10-13)20(29-9-16-22-11-27(2)25-16)26-28(18)19(24-23-12)14-5-3-4-6-15(14)21/h3-8,10-11H,9H2,1-2H3
InChIKeyQHEXWUBJFNHLQG-UHFFFAOYSA-N
MW421.46 g/mol
LogP3.67
Rot. Bonds5

About 7-(2-fluorophenyl)-4-methyl-2-[(1-methyl-1,2,4-triazol-3-yl)methoxy]-3-thiophen-3-ylpyrazolo[1,5-d][1,2,4]triazine

7-(2-fluorophenyl)-4-methyl-2-[(1-methyl-1,2,4-triazol-3-yl)methoxy]-3-thiophen-3-ylpyrazolo[1,5-d][1,2,4]triazine (PubChem CID 10223961) has the molecular formula C20H16FN7OS and a molecular weight of 421.46 g/mol. Its IUPAC name is 7-(2-fluorophenyl)-4-methyl-2-[(1-methyl-1,2,4-triazol-3-yl)methoxy]-3-thiophen-3-ylpyrazolo[1,5-d][1,2,4]triazine.

Molecular Properties

Compound Name7-(2-fluorophenyl)-4-methyl-2-[(1-methyl-1,2,4-triazol-3-yl)methoxy]-3-thiophen-3-ylpyrazolo[1,5-d][1,2,4]triazine
PubChem CID10223961
Molecular FormulaC20H16FN7OS
Molecular Weight421.46 g/mol
Exact Mass421.11
IUPAC Name7-(2-fluorophenyl)-4-methyl-2-[(1-methyl-1,2,4-triazol-3-yl)methoxy]-3-thiophen-3-ylpyrazolo[1,5-d][1,2,4]triazine
SMILESCc1nnc(-c2ccccc2F)n2nc(OCc3ncn(C)n3)c(-c3ccsc3)c12
InChIInChI=1S/C20H16FN7OS/c1-12-18-17(13-7-8-30-10-13)20(29-9-16-22-11-27(2)25-16)26-28(18)19(24-23-12)14-5-3-4-6-15(14)21/h3-8,10-11H,9H2,1-2H3
InChIKeyQHEXWUBJFNHLQG-UHFFFAOYSA-N
XLogP3.67
TPSA83.02 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.46
LogP ≤ 53.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 7-(2-fluorophenyl)-4-methyl-2-[(1-methyl-1,2,4-triazol-3-yl)methoxy]-3-thiophen-3-ylpyrazolo[1,5-d][1,2,4]triazine?
The IUPAC name of 7-(2-fluorophenyl)-4-methyl-2-[(1-methyl-1,2,4-triazol-3-yl)methoxy]-3-thiophen-3-ylpyrazolo[1,5-d][1,2,4]triazine (CID 10223961) is 7-(2-fluorophenyl)-4-methyl-2-[(1-methyl-1,2,4-triazol-3-yl)methoxy]-3-thiophen-3-ylpyrazolo[1,5-d][1,2,4]triazine.
What is the SMILES notation for 7-(2-fluorophenyl)-4-methyl-2-[(1-methyl-1,2,4-triazol-3-yl)methoxy]-3-thiophen-3-ylpyrazolo[1,5-d][1,2,4]triazine?
The canonical SMILES for 7-(2-fluorophenyl)-4-methyl-2-[(1-methyl-1,2,4-triazol-3-yl)methoxy]-3-thiophen-3-ylpyrazolo[1,5-d][1,2,4]triazine is Cc1nnc(-c2ccccc2F)n2nc(OCc3ncn(C)n3)c(-c3ccsc3)c12.
What is the InChIKey of 7-(2-fluorophenyl)-4-methyl-2-[(1-methyl-1,2,4-triazol-3-yl)methoxy]-3-thiophen-3-ylpyrazolo[1,5-d][1,2,4]triazine?
The InChIKey is QHEXWUBJFNHLQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16FN7OS/c1-12-18-17(13-7-8-30-10-13)20(29-9-16-22-11-27(2)25-16)26-28(18)19(24-23-12)14-5-3-4-6-15(14)21/h3-8,10-11H,9H2,1-2H3.
What are the key properties of 7-(2-fluorophenyl)-4-methyl-2-[(1-methyl-1,2,4-triazol-3-yl)methoxy]-3-thiophen-3-ylpyrazolo[1,5-d][1,2,4]triazine?
7-(2-fluorophenyl)-4-methyl-2-[(1-methyl-1,2,4-triazol-3-yl)methoxy]-3-thiophen-3-ylpyrazolo[1,5-d][1,2,4]triazine has a molecular weight of 421.46 g/mol, XLogP of 3.67, 5 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(2-fluorophenyl)-4-methyl-2-[(1-methyl-1,2,4-triazol-3-yl)methoxy]-3-thiophen-3-ylpyrazolo[1,5-d][1,2,4]triazine is sourced from PubChem (CID 10223961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).