N-[(3-fluorophenyl)methyl]-2-(4-oxo-2-thiophen-2-ylpyrazolo[1,5-d][1,2,4]triazin-5-yl)acetamide

C18H14FN5O2S — CID 22513250

IUPACN-[(3-fluorophenyl)methyl]-2-(4-oxo-2-thiophen-2-ylpyrazolo[1,5-d][1,2,4]triazin-5-yl)acetamide
SMILESO=C(Cn1ncn2nc(-c3cccs3)cc2c1=O)NCc1cccc(F)c1
InChIInChI=1S/C18H14FN5O2S/c19-13-4-1-3-12(7-13)9-20-17(25)10-23-18(26)15-8-14(16-5-2-6-27-16)22-24(15)11-21-23/h1-8,11H,9-10H2,(H,20,25)
InChIKeyXRZFKWPZRNQADK-UHFFFAOYSA-N
MW383.41 g/mol
LogP2.08
Rot. Bonds5

About N-[(3-fluorophenyl)methyl]-2-(4-oxo-2-thiophen-2-ylpyrazolo[1,5-d][1,2,4]triazin-5-yl)acetamide

N-[(3-fluorophenyl)methyl]-2-(4-oxo-2-thiophen-2-ylpyrazolo[1,5-d][1,2,4]triazin-5-yl)acetamide (PubChem CID 22513250) has the molecular formula C18H14FN5O2S and a molecular weight of 383.41 g/mol. Its IUPAC name is N-[(3-fluorophenyl)methyl]-2-(4-oxo-2-thiophen-2-ylpyrazolo[1,5-d][1,2,4]triazin-5-yl)acetamide.

Molecular Properties

Compound NameN-[(3-fluorophenyl)methyl]-2-(4-oxo-2-thiophen-2-ylpyrazolo[1,5-d][1,2,4]triazin-5-yl)acetamide
PubChem CID22513250
Molecular FormulaC18H14FN5O2S
Molecular Weight383.41 g/mol
Exact Mass383.09
IUPAC NameN-[(3-fluorophenyl)methyl]-2-(4-oxo-2-thiophen-2-ylpyrazolo[1,5-d][1,2,4]triazin-5-yl)acetamide
SMILESO=C(Cn1ncn2nc(-c3cccs3)cc2c1=O)NCc1cccc(F)c1
InChIInChI=1S/C18H14FN5O2S/c19-13-4-1-3-12(7-13)9-20-17(25)10-23-18(26)15-8-14(16-5-2-6-27-16)22-24(15)11-21-23/h1-8,11H,9-10H2,(H,20,25)
InChIKeyXRZFKWPZRNQADK-UHFFFAOYSA-N
XLogP2.08
TPSA81.29 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.41
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

2-(5-amino-6-oxo-3-thiophen-2-ylpyridazin-1-yl)-N-[(3-fluorophenyl)methyl]acetamide
CID 16676551
N-(4-ethylphenyl)-2-(4-oxo-2-thiophen-2-ylpyrazolo[1,5-d][1,2,4]triazin-5-yl)acetamide
CID 46857517
N-(1-benzylpiperidin-4-yl)-2-(4-oxo-2-thiophen-2-ylpyrazolo[1,5-d][1,2,4]triazin-5-yl)acetamide
CID 22513225
N-(3-morpholin-4-ylpropyl)-2-(4-oxo-2-thiophen-2-ylpyrazolo[1,5-d][1,2,4]triazin-5-yl)acetamide
CID 22513214
N-[(4-chlorophenyl)methyl]-2-[2-(4-fluorophenyl)-4-oxopyrazolo[1,5-d][1,2,4]triazin-5-yl]acetamide
CID 29279329
2-[2-(3-fluorophenyl)-4-oxopyrazolo[1,5-d][1,2,4]triazin-5-yl]acetic acid
CID 56771119
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-bromophenyl)methyl]-2-[2-(4-methoxyphenyl)-4-oxopyrazolo[1,5-d][1,2,4]triazin-5-yl]acetamide
CID 4615733
2-[2-(4-ethoxyphenyl)-4-oxopyrazolo[1,5-d][1,2,4]triazin-5-yl]-N-[(3-methoxyphenyl)methyl]acetamide
CID 42100144
2-(4-oxo-2-phenylpyrazolo[1,5-d][1,2,4]triazin-5-yl)-N-[(4-propan-2-yloxyphenyl)methyl]acetamide
CID 20953505
N-[(3,4-dimethylphenyl)methyl]-2-[2-(2,5-dimethylphenyl)-4-oxopyrazolo[1,5-d][1,2,4]triazin-5-yl]acetamide
CID 46857665
2-[2-(4-ethylphenyl)-4-oxopyrazolo[1,5-d][1,2,4]triazin-5-yl]-N-(pyridin-2-ylmethyl)acetamide
CID 20953511

Frequently Asked Questions

What is the IUPAC name of N-[(3-fluorophenyl)methyl]-2-(4-oxo-2-thiophen-2-ylpyrazolo[1,5-d][1,2,4]triazin-5-yl)acetamide?
The IUPAC name of N-[(3-fluorophenyl)methyl]-2-(4-oxo-2-thiophen-2-ylpyrazolo[1,5-d][1,2,4]triazin-5-yl)acetamide (CID 22513250) is N-[(3-fluorophenyl)methyl]-2-(4-oxo-2-thiophen-2-ylpyrazolo[1,5-d][1,2,4]triazin-5-yl)acetamide.
What is the SMILES notation for N-[(3-fluorophenyl)methyl]-2-(4-oxo-2-thiophen-2-ylpyrazolo[1,5-d][1,2,4]triazin-5-yl)acetamide?
The canonical SMILES for N-[(3-fluorophenyl)methyl]-2-(4-oxo-2-thiophen-2-ylpyrazolo[1,5-d][1,2,4]triazin-5-yl)acetamide is O=C(Cn1ncn2nc(-c3cccs3)cc2c1=O)NCc1cccc(F)c1.
What is the InChIKey of N-[(3-fluorophenyl)methyl]-2-(4-oxo-2-thiophen-2-ylpyrazolo[1,5-d][1,2,4]triazin-5-yl)acetamide?
The InChIKey is XRZFKWPZRNQADK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14FN5O2S/c19-13-4-1-3-12(7-13)9-20-17(25)10-23-18(26)15-8-14(16-5-2-6-27-16)22-24(15)11-21-23/h1-8,11H,9-10H2,(H,20,25).
What are the key properties of N-[(3-fluorophenyl)methyl]-2-(4-oxo-2-thiophen-2-ylpyrazolo[1,5-d][1,2,4]triazin-5-yl)acetamide?
N-[(3-fluorophenyl)methyl]-2-(4-oxo-2-thiophen-2-ylpyrazolo[1,5-d][1,2,4]triazin-5-yl)acetamide has a molecular weight of 383.41 g/mol, XLogP of 2.08, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-fluorophenyl)methyl]-2-(4-oxo-2-thiophen-2-ylpyrazolo[1,5-d][1,2,4]triazin-5-yl)acetamide is sourced from PubChem (CID 22513250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).