5-[5-amino-7-(4-fluorophenyl)-2-(1,3-thiazol-2-ylmethyl)-[1,2,4]triazolo[1,5-c]pyrimidin-8-yl]-1-methylpyridin-2-one

C21H16FN7OS — CID 146490636

IUPAC5-[5-amino-7-(4-fluorophenyl)-2-(1,3-thiazol-2-ylmethyl)-[1,2,4]triazolo[1,5-c]pyrimidin-8-yl]-1-methylpyridin-2-one
SMILESCn1cc(-c2c(-c3ccc(F)cc3)nc(N)n3nc(Cc4nccs4)nc23)ccc1=O
InChIInChI=1S/C21H16FN7OS/c1-28-11-13(4-7-17(28)30)18-19(12-2-5-14(22)6-3-12)26-21(23)29-20(18)25-15(27-29)10-16-24-8-9-31-16/h2-9,11H,10H2,1H3,(H2,23,26)
InChIKeyDFXFMJLXQWVGCL-UHFFFAOYSA-N
MW433.47 g/mol
LogP2.93
Rot. Bonds4

About 5-[5-amino-7-(4-fluorophenyl)-2-(1,3-thiazol-2-ylmethyl)-[1,2,4]triazolo[1,5-c]pyrimidin-8-yl]-1-methylpyridin-2-one

5-[5-amino-7-(4-fluorophenyl)-2-(1,3-thiazol-2-ylmethyl)-[1,2,4]triazolo[1,5-c]pyrimidin-8-yl]-1-methylpyridin-2-one (PubChem CID 146490636) has the molecular formula C21H16FN7OS and a molecular weight of 433.47 g/mol. Its IUPAC name is 5-[5-amino-7-(4-fluorophenyl)-2-(1,3-thiazol-2-ylmethyl)-[1,2,4]triazolo[1,5-c]pyrimidin-8-yl]-1-methylpyridin-2-one.

Molecular Properties

Compound Name5-[5-amino-7-(4-fluorophenyl)-2-(1,3-thiazol-2-ylmethyl)-[1,2,4]triazolo[1,5-c]pyrimidin-8-yl]-1-methylpyridin-2-one
PubChem CID146490636
Molecular FormulaC21H16FN7OS
Molecular Weight433.47 g/mol
Exact Mass433.11
IUPAC Name5-[5-amino-7-(4-fluorophenyl)-2-(1,3-thiazol-2-ylmethyl)-[1,2,4]triazolo[1,5-c]pyrimidin-8-yl]-1-methylpyridin-2-one
SMILESCn1cc(-c2c(-c3ccc(F)cc3)nc(N)n3nc(Cc4nccs4)nc23)ccc1=O
InChIInChI=1S/C21H16FN7OS/c1-28-11-13(4-7-17(28)30)18-19(12-2-5-14(22)6-3-12)26-21(23)29-20(18)25-15(27-29)10-16-24-8-9-31-16/h2-9,11H,10H2,1H3,(H2,23,26)
InChIKeyDFXFMJLXQWVGCL-UHFFFAOYSA-N
XLogP2.93
TPSA103.99 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.47
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze 5-[5-amino-7-(4-fluorophenyl)-2-(1,3-thiazol-2-ylmethyl)-[1,2,4]triazolo[1,5-c]pyrimidin-8-yl]-1-methylpyridin-2-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 5-[5-amino-7-(4-fluorophenyl)-2-(1,3-thiazol-2-ylmethyl)-[1,2,4]triazolo[1,5-c]pyrimidin-8-yl]-1-methylpyridin-2-one?
The IUPAC name of 5-[5-amino-7-(4-fluorophenyl)-2-(1,3-thiazol-2-ylmethyl)-[1,2,4]triazolo[1,5-c]pyrimidin-8-yl]-1-methylpyridin-2-one (CID 146490636) is 5-[5-amino-7-(4-fluorophenyl)-2-(1,3-thiazol-2-ylmethyl)-[1,2,4]triazolo[1,5-c]pyrimidin-8-yl]-1-methylpyridin-2-one.
What is the SMILES notation for 5-[5-amino-7-(4-fluorophenyl)-2-(1,3-thiazol-2-ylmethyl)-[1,2,4]triazolo[1,5-c]pyrimidin-8-yl]-1-methylpyridin-2-one?
The canonical SMILES for 5-[5-amino-7-(4-fluorophenyl)-2-(1,3-thiazol-2-ylmethyl)-[1,2,4]triazolo[1,5-c]pyrimidin-8-yl]-1-methylpyridin-2-one is Cn1cc(-c2c(-c3ccc(F)cc3)nc(N)n3nc(Cc4nccs4)nc23)ccc1=O.
What is the InChIKey of 5-[5-amino-7-(4-fluorophenyl)-2-(1,3-thiazol-2-ylmethyl)-[1,2,4]triazolo[1,5-c]pyrimidin-8-yl]-1-methylpyridin-2-one?
The InChIKey is DFXFMJLXQWVGCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16FN7OS/c1-28-11-13(4-7-17(28)30)18-19(12-2-5-14(22)6-3-12)26-21(23)29-20(18)25-15(27-29)10-16-24-8-9-31-16/h2-9,11H,10H2,1H3,(H2,23,26).
What are the key properties of 5-[5-amino-7-(4-fluorophenyl)-2-(1,3-thiazol-2-ylmethyl)-[1,2,4]triazolo[1,5-c]pyrimidin-8-yl]-1-methylpyridin-2-one?
5-[5-amino-7-(4-fluorophenyl)-2-(1,3-thiazol-2-ylmethyl)-[1,2,4]triazolo[1,5-c]pyrimidin-8-yl]-1-methylpyridin-2-one has a molecular weight of 433.47 g/mol, XLogP of 2.93, 4 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[5-amino-7-(4-fluorophenyl)-2-(1,3-thiazol-2-ylmethyl)-[1,2,4]triazolo[1,5-c]pyrimidin-8-yl]-1-methylpyridin-2-one is sourced from PubChem (CID 146490636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).