5-(1-ethylindazol-5-yl)-2-(4-fluorophenyl)-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one

C20H15FN6O — CID 118389294

IUPAC5-(1-ethylindazol-5-yl)-2-(4-fluorophenyl)-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one
SMILESCCn1ncc2cc(-c3cc(=O)n4[nH]c(-c5ccc(F)cc5)nc4n3)ccc21
InChIInChI=1S/C20H15FN6O/c1-2-26-17-8-5-13(9-14(17)11-22-26)16-10-18(28)27-20(23-16)24-19(25-27)12-3-6-15(21)7-4-12/h3-11H,2H2,1H3,(H,23,24,25)
InChIKeyHZYLABMZRPZPOD-UHFFFAOYSA-N
MW374.38 g/mol
LogP3.26
Rot. Bonds3

About 5-(1-ethylindazol-5-yl)-2-(4-fluorophenyl)-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one

5-(1-ethylindazol-5-yl)-2-(4-fluorophenyl)-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one (PubChem CID 118389294) has the molecular formula C20H15FN6O and a molecular weight of 374.38 g/mol. Its IUPAC name is 5-(1-ethylindazol-5-yl)-2-(4-fluorophenyl)-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one.

Molecular Properties

Compound Name5-(1-ethylindazol-5-yl)-2-(4-fluorophenyl)-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one
PubChem CID118389294
Molecular FormulaC20H15FN6O
Molecular Weight374.38 g/mol
Exact Mass374.13
IUPAC Name5-(1-ethylindazol-5-yl)-2-(4-fluorophenyl)-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one
SMILESCCn1ncc2cc(-c3cc(=O)n4[nH]c(-c5ccc(F)cc5)nc4n3)ccc21
InChIInChI=1S/C20H15FN6O/c1-2-26-17-8-5-13(9-14(17)11-22-26)16-10-18(28)27-20(23-16)24-19(25-27)12-3-6-15(21)7-4-12/h3-11H,2H2,1H3,(H,23,24,25)
InChIKeyHZYLABMZRPZPOD-UHFFFAOYSA-N
XLogP3.26
TPSA80.87 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.38
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-(1-ethylindazol-5-yl)-2-(4-fluorophenyl)-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one?
The IUPAC name of 5-(1-ethylindazol-5-yl)-2-(4-fluorophenyl)-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one (CID 118389294) is 5-(1-ethylindazol-5-yl)-2-(4-fluorophenyl)-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one.
What is the SMILES notation for 5-(1-ethylindazol-5-yl)-2-(4-fluorophenyl)-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one?
The canonical SMILES for 5-(1-ethylindazol-5-yl)-2-(4-fluorophenyl)-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one is CCn1ncc2cc(-c3cc(=O)n4[nH]c(-c5ccc(F)cc5)nc4n3)ccc21.
What is the InChIKey of 5-(1-ethylindazol-5-yl)-2-(4-fluorophenyl)-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one?
The InChIKey is HZYLABMZRPZPOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15FN6O/c1-2-26-17-8-5-13(9-14(17)11-22-26)16-10-18(28)27-20(23-16)24-19(25-27)12-3-6-15(21)7-4-12/h3-11H,2H2,1H3,(H,23,24,25).
What are the key properties of 5-(1-ethylindazol-5-yl)-2-(4-fluorophenyl)-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one?
5-(1-ethylindazol-5-yl)-2-(4-fluorophenyl)-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one has a molecular weight of 374.38 g/mol, XLogP of 3.26, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1-ethylindazol-5-yl)-2-(4-fluorophenyl)-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one is sourced from PubChem (CID 118389294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).