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

C20H17FN6O3 — CID 1444351

IUPACN-(4-ethoxyphenyl)-2-[7-(4-fluorophenyl)-4-oxopyrazolo[5,4-d]triazin-3-yl]acetamide
SMILESCCOc1ccc(NC(=O)Cn2nnc3c(cnn3-c3ccc(F)cc3)c2=O)cc1
InChIInChI=1S/C20H17FN6O3/c1-2-30-16-9-5-14(6-10-16)23-18(28)12-26-20(29)17-11-22-27(19(17)24-25-26)15-7-3-13(21)4-8-15/h3-11H,2,12H2,1H3,(H,23,28)
InChIKeyVJMBFWUFOJBDGZ-UHFFFAOYSA-N
MW408.39 g/mol
LogP2.15
Rot. Bonds6

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

N-(4-ethoxyphenyl)-2-[7-(4-fluorophenyl)-4-oxopyrazolo[5,4-d]triazin-3-yl]acetamide (PubChem CID 1444351) has the molecular formula C20H17FN6O3 and a molecular weight of 408.39 g/mol. Its IUPAC name is N-(4-ethoxyphenyl)-2-[7-(4-fluorophenyl)-4-oxopyrazolo[5,4-d]triazin-3-yl]acetamide.

Molecular Properties

Compound NameN-(4-ethoxyphenyl)-2-[7-(4-fluorophenyl)-4-oxopyrazolo[5,4-d]triazin-3-yl]acetamide
PubChem CID1444351
Molecular FormulaC20H17FN6O3
Molecular Weight408.39 g/mol
Exact Mass408.13
IUPAC NameN-(4-ethoxyphenyl)-2-[7-(4-fluorophenyl)-4-oxopyrazolo[5,4-d]triazin-3-yl]acetamide
SMILESCCOc1ccc(NC(=O)Cn2nnc3c(cnn3-c3ccc(F)cc3)c2=O)cc1
InChIInChI=1S/C20H17FN6O3/c1-2-30-16-9-5-14(6-10-16)23-18(28)12-26-20(29)17-11-22-27(19(17)24-25-26)15-7-3-13(21)4-8-15/h3-11H,2,12H2,1H3,(H,23,28)
InChIKeyVJMBFWUFOJBDGZ-UHFFFAOYSA-N
XLogP2.15
TPSA103.93 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.39
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-(4-ethoxyphenyl)-2-[7-(4-fluorophenyl)-4-oxopyrazolo[5,4-d]triazin-3-yl]acetamide?
The IUPAC name of N-(4-ethoxyphenyl)-2-[7-(4-fluorophenyl)-4-oxopyrazolo[5,4-d]triazin-3-yl]acetamide (CID 1444351) is N-(4-ethoxyphenyl)-2-[7-(4-fluorophenyl)-4-oxopyrazolo[5,4-d]triazin-3-yl]acetamide.
What is the SMILES notation for N-(4-ethoxyphenyl)-2-[7-(4-fluorophenyl)-4-oxopyrazolo[5,4-d]triazin-3-yl]acetamide?
The canonical SMILES for N-(4-ethoxyphenyl)-2-[7-(4-fluorophenyl)-4-oxopyrazolo[5,4-d]triazin-3-yl]acetamide is CCOc1ccc(NC(=O)Cn2nnc3c(cnn3-c3ccc(F)cc3)c2=O)cc1.
What is the InChIKey of N-(4-ethoxyphenyl)-2-[7-(4-fluorophenyl)-4-oxopyrazolo[5,4-d]triazin-3-yl]acetamide?
The InChIKey is VJMBFWUFOJBDGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17FN6O3/c1-2-30-16-9-5-14(6-10-16)23-18(28)12-26-20(29)17-11-22-27(19(17)24-25-26)15-7-3-13(21)4-8-15/h3-11H,2,12H2,1H3,(H,23,28).
What are the key properties of N-(4-ethoxyphenyl)-2-[7-(4-fluorophenyl)-4-oxopyrazolo[5,4-d]triazin-3-yl]acetamide?
N-(4-ethoxyphenyl)-2-[7-(4-fluorophenyl)-4-oxopyrazolo[5,4-d]triazin-3-yl]acetamide has a molecular weight of 408.39 g/mol, XLogP of 2.15, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-ethoxyphenyl)-2-[7-(4-fluorophenyl)-4-oxopyrazolo[5,4-d]triazin-3-yl]acetamide is sourced from PubChem (CID 1444351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).