2-[7-(4-fluorophenyl)-4-oxopyrazolo[5,4-d]triazin-3-yl]-N-phenylacetamide

C18H13FN6O2 — CID 6487805

IUPAC2-[7-(4-fluorophenyl)-4-oxopyrazolo[5,4-d]triazin-3-yl]-N-phenylacetamide
SMILESO=C(Cn1nnc2c(cnn2-c2ccc(F)cc2)c1=O)Nc1ccccc1
InChIInChI=1S/C18H13FN6O2/c19-12-6-8-14(9-7-12)25-17-15(10-20-25)18(27)24(23-22-17)11-16(26)21-13-4-2-1-3-5-13/h1-10H,11H2,(H,21,26)
InChIKeyARANZWZRHCRJBD-UHFFFAOYSA-N
MW364.34 g/mol
LogP1.75
Rot. Bonds4

About 2-[7-(4-fluorophenyl)-4-oxopyrazolo[5,4-d]triazin-3-yl]-N-phenylacetamide

2-[7-(4-fluorophenyl)-4-oxopyrazolo[5,4-d]triazin-3-yl]-N-phenylacetamide (PubChem CID 6487805) has the molecular formula C18H13FN6O2 and a molecular weight of 364.34 g/mol. Its IUPAC name is 2-[7-(4-fluorophenyl)-4-oxopyrazolo[5,4-d]triazin-3-yl]-N-phenylacetamide.

Molecular Properties

Compound Name2-[7-(4-fluorophenyl)-4-oxopyrazolo[5,4-d]triazin-3-yl]-N-phenylacetamide
PubChem CID6487805
Molecular FormulaC18H13FN6O2
Molecular Weight364.34 g/mol
Exact Mass364.11
IUPAC Name2-[7-(4-fluorophenyl)-4-oxopyrazolo[5,4-d]triazin-3-yl]-N-phenylacetamide
SMILESO=C(Cn1nnc2c(cnn2-c2ccc(F)cc2)c1=O)Nc1ccccc1
InChIInChI=1S/C18H13FN6O2/c19-12-6-8-14(9-7-12)25-17-15(10-20-25)18(27)24(23-22-17)11-16(26)21-13-4-2-1-3-5-13/h1-10H,11H2,(H,21,26)
InChIKeyARANZWZRHCRJBD-UHFFFAOYSA-N
XLogP1.75
TPSA94.70 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.34
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-(2-chlorophenyl)-2-(4-oxo-7-phenylpyrazolo[5,4-d]triazin-3-yl)acetamide
CID 1444490
N-(4,5-dimethyl-1,3-thiazol-2-yl)-2-[7-(4-fluorophenyl)-4-oxopyrazolo[5,4-d]triazin-3-yl]acetamide
CID 6487824
3-[1-(4-fluorophenyl)-4-oxopyrazolo[5,4-d]pyrimidin-5-yl]-N-phenylpropanamide
CID 16882781
cyclohexyl 2-[7-(4-fluorophenyl)-4-oxopyrazolo[5,4-d]triazin-3-yl]acetate
CID 651351
N-(4-fluorophenyl)-2-[1-(4-fluorophenyl)-4-oxopyrazolo[5,4-d]pyrimidin-5-yl]acetamide
CID 7118567
7-(4-fluorophenyl)-3-[(4-fluorophenyl)methyl]pyrazolo[5,4-d]triazin-4-one
CID 1444323
N-(2-fluorophenyl)-2-[1-(4-fluorophenyl)-4-methyl-7-oxopyrazolo[4,5-d]pyridazin-6-yl]acetamide
CID 16846397
N-(4-anilinophenyl)-2-(4-oxo-1,2,3-benzotriazin-3-yl)acetamide
CID 46554459
3-[2-[(2S)-2-ethylpiperidin-1-yl]-2-oxoethyl]-7-(4-fluorophenyl)pyrazolo[5,4-d]triazin-4-one
CID 1444440
N-(3,5-difluorophenyl)-2-(4-oxo-1,2,3-benzotriazin-3-yl)acetamide
CID 27055170
N-(3-acetamidophenyl)-2-[1-(4-fluorophenyl)-7-oxo-4-propan-2-ylpyrazolo[4,5-d]pyridazin-6-yl]acetamide
CID 16847086
2-[1-(3,4-dimethylphenyl)-4-methyl-7-oxopyrazolo[4,5-d]pyridazin-6-yl]-N-(4-fluorophenyl)acetamide
CID 16846814

Frequently Asked Questions

What is the IUPAC name of 2-[7-(4-fluorophenyl)-4-oxopyrazolo[5,4-d]triazin-3-yl]-N-phenylacetamide?
The IUPAC name of 2-[7-(4-fluorophenyl)-4-oxopyrazolo[5,4-d]triazin-3-yl]-N-phenylacetamide (CID 6487805) is 2-[7-(4-fluorophenyl)-4-oxopyrazolo[5,4-d]triazin-3-yl]-N-phenylacetamide.
What is the SMILES notation for 2-[7-(4-fluorophenyl)-4-oxopyrazolo[5,4-d]triazin-3-yl]-N-phenylacetamide?
The canonical SMILES for 2-[7-(4-fluorophenyl)-4-oxopyrazolo[5,4-d]triazin-3-yl]-N-phenylacetamide is O=C(Cn1nnc2c(cnn2-c2ccc(F)cc2)c1=O)Nc1ccccc1.
What is the InChIKey of 2-[7-(4-fluorophenyl)-4-oxopyrazolo[5,4-d]triazin-3-yl]-N-phenylacetamide?
The InChIKey is ARANZWZRHCRJBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13FN6O2/c19-12-6-8-14(9-7-12)25-17-15(10-20-25)18(27)24(23-22-17)11-16(26)21-13-4-2-1-3-5-13/h1-10H,11H2,(H,21,26).
What are the key properties of 2-[7-(4-fluorophenyl)-4-oxopyrazolo[5,4-d]triazin-3-yl]-N-phenylacetamide?
2-[7-(4-fluorophenyl)-4-oxopyrazolo[5,4-d]triazin-3-yl]-N-phenylacetamide has a molecular weight of 364.34 g/mol, XLogP of 1.75, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[7-(4-fluorophenyl)-4-oxopyrazolo[5,4-d]triazin-3-yl]-N-phenylacetamide is sourced from PubChem (CID 6487805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).