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

C19H15FN6O2 — CID 1444337

IUPAC2-[7-(4-fluorophenyl)-4-oxopyrazolo[5,4-d]triazin-3-yl]-N-(2-methylphenyl)acetamide
SMILESCc1ccccc1NC(=O)Cn1nnc2c(cnn2-c2ccc(F)cc2)c1=O
InChIInChI=1S/C19H15FN6O2/c1-12-4-2-3-5-16(12)22-17(27)11-25-19(28)15-10-21-26(18(15)23-24-25)14-8-6-13(20)7-9-14/h2-10H,11H2,1H3,(H,22,27)
InChIKeyITQFNRZYHFYXQA-UHFFFAOYSA-N
MW378.37 g/mol
LogP2.06
Rot. Bonds4

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

2-[7-(4-fluorophenyl)-4-oxopyrazolo[5,4-d]triazin-3-yl]-N-(2-methylphenyl)acetamide (PubChem CID 1444337) has the molecular formula C19H15FN6O2 and a molecular weight of 378.37 g/mol. Its IUPAC name is 2-[7-(4-fluorophenyl)-4-oxopyrazolo[5,4-d]triazin-3-yl]-N-(2-methylphenyl)acetamide.

Molecular Properties

Compound Name2-[7-(4-fluorophenyl)-4-oxopyrazolo[5,4-d]triazin-3-yl]-N-(2-methylphenyl)acetamide
PubChem CID1444337
Molecular FormulaC19H15FN6O2
Molecular Weight378.37 g/mol
Exact Mass378.12
IUPAC Name2-[7-(4-fluorophenyl)-4-oxopyrazolo[5,4-d]triazin-3-yl]-N-(2-methylphenyl)acetamide
SMILESCc1ccccc1NC(=O)Cn1nnc2c(cnn2-c2ccc(F)cc2)c1=O
InChIInChI=1S/C19H15FN6O2/c1-12-4-2-3-5-16(12)22-17(27)11-25-19(28)15-10-21-26(18(15)23-24-25)14-8-6-13(20)7-9-14/h2-10H,11H2,1H3,(H,22,27)
InChIKeyITQFNRZYHFYXQA-UHFFFAOYSA-N
XLogP2.06
TPSA94.70 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.37
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[7-(4-fluorophenyl)-4-oxopyrazolo[5,4-d]triazin-3-yl]-N-(2-methylphenyl)acetamide?
The IUPAC name of 2-[7-(4-fluorophenyl)-4-oxopyrazolo[5,4-d]triazin-3-yl]-N-(2-methylphenyl)acetamide (CID 1444337) is 2-[7-(4-fluorophenyl)-4-oxopyrazolo[5,4-d]triazin-3-yl]-N-(2-methylphenyl)acetamide.
What is the SMILES notation for 2-[7-(4-fluorophenyl)-4-oxopyrazolo[5,4-d]triazin-3-yl]-N-(2-methylphenyl)acetamide?
The canonical SMILES for 2-[7-(4-fluorophenyl)-4-oxopyrazolo[5,4-d]triazin-3-yl]-N-(2-methylphenyl)acetamide is Cc1ccccc1NC(=O)Cn1nnc2c(cnn2-c2ccc(F)cc2)c1=O.
What is the InChIKey of 2-[7-(4-fluorophenyl)-4-oxopyrazolo[5,4-d]triazin-3-yl]-N-(2-methylphenyl)acetamide?
The InChIKey is ITQFNRZYHFYXQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15FN6O2/c1-12-4-2-3-5-16(12)22-17(27)11-25-19(28)15-10-21-26(18(15)23-24-25)14-8-6-13(20)7-9-14/h2-10H,11H2,1H3,(H,22,27).
What are the key properties of 2-[7-(4-fluorophenyl)-4-oxopyrazolo[5,4-d]triazin-3-yl]-N-(2-methylphenyl)acetamide?
2-[7-(4-fluorophenyl)-4-oxopyrazolo[5,4-d]triazin-3-yl]-N-(2-methylphenyl)acetamide has a molecular weight of 378.37 g/mol, XLogP of 2.06, 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-(2-methylphenyl)acetamide is sourced from PubChem (CID 1444337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).