N-(4,5-dimethyl-1,3-thiazol-2-yl)-2-[7-(4-fluorophenyl)-4-oxopyrazolo[5,4-d]triazin-3-yl]acetamide

C17H14FN7O2S — CID 6487824

IUPACN-(4,5-dimethyl-1,3-thiazol-2-yl)-2-[7-(4-fluorophenyl)-4-oxopyrazolo[5,4-d]triazin-3-yl]acetamide
SMILESCc1nc(NC(=O)Cn2nnc3c(cnn3-c3ccc(F)cc3)c2=O)sc1C
InChIInChI=1S/C17H14FN7O2S/c1-9-10(2)28-17(20-9)21-14(26)8-24-16(27)13-7-19-25(15(13)22-23-24)12-5-3-11(18)4-6-12/h3-7H,8H2,1-2H3,(H,20,21,26)
InChIKeyINFYDLZNTPUHSV-UHFFFAOYSA-N
MW399.41 g/mol
LogP1.83
Rot. Bonds4

About N-(4,5-dimethyl-1,3-thiazol-2-yl)-2-[7-(4-fluorophenyl)-4-oxopyrazolo[5,4-d]triazin-3-yl]acetamide

N-(4,5-dimethyl-1,3-thiazol-2-yl)-2-[7-(4-fluorophenyl)-4-oxopyrazolo[5,4-d]triazin-3-yl]acetamide (PubChem CID 6487824) has the molecular formula C17H14FN7O2S and a molecular weight of 399.41 g/mol. Its IUPAC name is N-(4,5-dimethyl-1,3-thiazol-2-yl)-2-[7-(4-fluorophenyl)-4-oxopyrazolo[5,4-d]triazin-3-yl]acetamide.

Molecular Properties

Compound NameN-(4,5-dimethyl-1,3-thiazol-2-yl)-2-[7-(4-fluorophenyl)-4-oxopyrazolo[5,4-d]triazin-3-yl]acetamide
PubChem CID6487824
Molecular FormulaC17H14FN7O2S
Molecular Weight399.41 g/mol
Exact Mass399.09
IUPAC NameN-(4,5-dimethyl-1,3-thiazol-2-yl)-2-[7-(4-fluorophenyl)-4-oxopyrazolo[5,4-d]triazin-3-yl]acetamide
SMILESCc1nc(NC(=O)Cn2nnc3c(cnn3-c3ccc(F)cc3)c2=O)sc1C
InChIInChI=1S/C17H14FN7O2S/c1-9-10(2)28-17(20-9)21-14(26)8-24-16(27)13-7-19-25(15(13)22-23-24)12-5-3-11(18)4-6-12/h3-7H,8H2,1-2H3,(H,20,21,26)
InChIKeyINFYDLZNTPUHSV-UHFFFAOYSA-N
XLogP1.83
TPSA107.59 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.41
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of N-(4,5-dimethyl-1,3-thiazol-2-yl)-2-[7-(4-fluorophenyl)-4-oxopyrazolo[5,4-d]triazin-3-yl]acetamide?
The IUPAC name of N-(4,5-dimethyl-1,3-thiazol-2-yl)-2-[7-(4-fluorophenyl)-4-oxopyrazolo[5,4-d]triazin-3-yl]acetamide (CID 6487824) is N-(4,5-dimethyl-1,3-thiazol-2-yl)-2-[7-(4-fluorophenyl)-4-oxopyrazolo[5,4-d]triazin-3-yl]acetamide.
What is the SMILES notation for N-(4,5-dimethyl-1,3-thiazol-2-yl)-2-[7-(4-fluorophenyl)-4-oxopyrazolo[5,4-d]triazin-3-yl]acetamide?
The canonical SMILES for N-(4,5-dimethyl-1,3-thiazol-2-yl)-2-[7-(4-fluorophenyl)-4-oxopyrazolo[5,4-d]triazin-3-yl]acetamide is Cc1nc(NC(=O)Cn2nnc3c(cnn3-c3ccc(F)cc3)c2=O)sc1C.
What is the InChIKey of N-(4,5-dimethyl-1,3-thiazol-2-yl)-2-[7-(4-fluorophenyl)-4-oxopyrazolo[5,4-d]triazin-3-yl]acetamide?
The InChIKey is INFYDLZNTPUHSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14FN7O2S/c1-9-10(2)28-17(20-9)21-14(26)8-24-16(27)13-7-19-25(15(13)22-23-24)12-5-3-11(18)4-6-12/h3-7H,8H2,1-2H3,(H,20,21,26).
What are the key properties of N-(4,5-dimethyl-1,3-thiazol-2-yl)-2-[7-(4-fluorophenyl)-4-oxopyrazolo[5,4-d]triazin-3-yl]acetamide?
N-(4,5-dimethyl-1,3-thiazol-2-yl)-2-[7-(4-fluorophenyl)-4-oxopyrazolo[5,4-d]triazin-3-yl]acetamide has a molecular weight of 399.41 g/mol, XLogP of 1.83, 4 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4,5-dimethyl-1,3-thiazol-2-yl)-2-[7-(4-fluorophenyl)-4-oxopyrazolo[5,4-d]triazin-3-yl]acetamide is sourced from PubChem (CID 6487824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).