N-(3-fluoro-4-methoxyphenyl)-2-(4-oxo-2-thiophen-2-yl-5H-pyrazolo[1,5-d][1,2,4]triazin-7-yl)acetamide

C18H14FN5O3S — CID 56685863

IUPACN-(3-fluoro-4-methoxyphenyl)-2-(4-oxo-2-thiophen-2-yl-5H-pyrazolo[1,5-d][1,2,4]triazin-7-yl)acetamide
SMILESCOc1ccc(NC(=O)Cc2n[nH]c(=O)c3cc(-c4cccs4)nn23)cc1F
InChIInChI=1S/C18H14FN5O3S/c1-27-14-5-4-10(7-11(14)19)20-17(25)9-16-21-22-18(26)13-8-12(23-24(13)16)15-3-2-6-28-15/h2-8H,9H2,1H3,(H,20,25)(H,22,26)
InChIKeySFTMSUAJITXABZ-UHFFFAOYSA-N
MW399.41 g/mol
LogP2.47
Rot. Bonds5

About N-(3-fluoro-4-methoxyphenyl)-2-(4-oxo-2-thiophen-2-yl-5H-pyrazolo[1,5-d][1,2,4]triazin-7-yl)acetamide

N-(3-fluoro-4-methoxyphenyl)-2-(4-oxo-2-thiophen-2-yl-5H-pyrazolo[1,5-d][1,2,4]triazin-7-yl)acetamide (PubChem CID 56685863) has the molecular formula C18H14FN5O3S and a molecular weight of 399.41 g/mol. Its IUPAC name is N-(3-fluoro-4-methoxyphenyl)-2-(4-oxo-2-thiophen-2-yl-5H-pyrazolo[1,5-d][1,2,4]triazin-7-yl)acetamide.

Molecular Properties

Compound NameN-(3-fluoro-4-methoxyphenyl)-2-(4-oxo-2-thiophen-2-yl-5H-pyrazolo[1,5-d][1,2,4]triazin-7-yl)acetamide
PubChem CID56685863
Molecular FormulaC18H14FN5O3S
Molecular Weight399.41 g/mol
Exact Mass399.08
IUPAC NameN-(3-fluoro-4-methoxyphenyl)-2-(4-oxo-2-thiophen-2-yl-5H-pyrazolo[1,5-d][1,2,4]triazin-7-yl)acetamide
SMILESCOc1ccc(NC(=O)Cc2n[nH]c(=O)c3cc(-c4cccs4)nn23)cc1F
InChIInChI=1S/C18H14FN5O3S/c1-27-14-5-4-10(7-11(14)19)20-17(25)9-16-21-22-18(26)13-8-12(23-24(13)16)15-3-2-6-28-15/h2-8H,9H2,1H3,(H,20,25)(H,22,26)
InChIKeySFTMSUAJITXABZ-UHFFFAOYSA-N
XLogP2.47
TPSA101.38 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.41
LogP ≤ 52.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

N-(3,4-dimethoxyphenyl)-2-(4-oxo-2-thiophen-2-yl-5H-pyrazolo[1,5-d][1,2,4]triazin-7-yl)acetamide
CID 56685835
N-(4-methoxyphenyl)-2-(4-oxo-2-thiophen-2-yl-5H-pyrazolo[1,5-d][1,2,4]triazin-7-yl)acetamide
CID 56685832
N-(3,5-dimethoxyphenyl)-2-(4-oxo-2-phenyl-5H-pyrazolo[1,5-d][1,2,4]triazin-7-yl)acetamide
CID 56685675
N-(3,5-dimethylphenyl)-2-(4-oxo-2-phenyl-5H-pyrazolo[1,5-d][1,2,4]triazin-7-yl)acetamide
CID 56685662
N-(3,4-dimethoxyphenyl)-2-(6-oxo-4-thiophen-2-ylpyrimidin-1-yl)acetamide
CID 121090785
N-[4-[2-(3-fluoro-4-methoxyanilino)-2-oxoethyl]-1,3-thiazol-2-yl]-2-thiophen-2-ylacetamide
CID 55796754
N-(3-fluoro-4-methoxyphenyl)-4-thiophen-2-ylbutanamide
CID 47044022
N-(3-fluoro-4-methoxyphenyl)-2-[3-(4-fluorophenyl)-6-oxopyridazin-1-yl]acetamide
CID 46858983
N-(3,4-dimethoxyphenyl)-2-(6-thiophen-2-ylpyridazin-3-yl)sulfanylacetamide
CID 20900443
N-(3-fluoro-4-methoxyphenyl)-2-(4-methoxyphenyl)acetamide
CID 110776473
N-(5-chloro-2-methoxyphenyl)-2-(4-oxo-2-thiophen-2-ylpyrazolo[1,5-d][1,2,4]triazin-5-yl)acetamide
CID 46857537
N-(3,4-dimethoxyphenyl)-7-methyl-2-thiophen-2-ylpyrazolo[1,5-a]pyrimidine-5-carboxamide
CID 53040477

Frequently Asked Questions

What is the IUPAC name of N-(3-fluoro-4-methoxyphenyl)-2-(4-oxo-2-thiophen-2-yl-5H-pyrazolo[1,5-d][1,2,4]triazin-7-yl)acetamide?
The IUPAC name of N-(3-fluoro-4-methoxyphenyl)-2-(4-oxo-2-thiophen-2-yl-5H-pyrazolo[1,5-d][1,2,4]triazin-7-yl)acetamide (CID 56685863) is N-(3-fluoro-4-methoxyphenyl)-2-(4-oxo-2-thiophen-2-yl-5H-pyrazolo[1,5-d][1,2,4]triazin-7-yl)acetamide.
What is the SMILES notation for N-(3-fluoro-4-methoxyphenyl)-2-(4-oxo-2-thiophen-2-yl-5H-pyrazolo[1,5-d][1,2,4]triazin-7-yl)acetamide?
The canonical SMILES for N-(3-fluoro-4-methoxyphenyl)-2-(4-oxo-2-thiophen-2-yl-5H-pyrazolo[1,5-d][1,2,4]triazin-7-yl)acetamide is COc1ccc(NC(=O)Cc2n[nH]c(=O)c3cc(-c4cccs4)nn23)cc1F.
What is the InChIKey of N-(3-fluoro-4-methoxyphenyl)-2-(4-oxo-2-thiophen-2-yl-5H-pyrazolo[1,5-d][1,2,4]triazin-7-yl)acetamide?
The InChIKey is SFTMSUAJITXABZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14FN5O3S/c1-27-14-5-4-10(7-11(14)19)20-17(25)9-16-21-22-18(26)13-8-12(23-24(13)16)15-3-2-6-28-15/h2-8H,9H2,1H3,(H,20,25)(H,22,26).
What are the key properties of N-(3-fluoro-4-methoxyphenyl)-2-(4-oxo-2-thiophen-2-yl-5H-pyrazolo[1,5-d][1,2,4]triazin-7-yl)acetamide?
N-(3-fluoro-4-methoxyphenyl)-2-(4-oxo-2-thiophen-2-yl-5H-pyrazolo[1,5-d][1,2,4]triazin-7-yl)acetamide has a molecular weight of 399.41 g/mol, XLogP of 2.47, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-fluoro-4-methoxyphenyl)-2-(4-oxo-2-thiophen-2-yl-5H-pyrazolo[1,5-d][1,2,4]triazin-7-yl)acetamide is sourced from PubChem (CID 56685863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).