N-(5-chloro-2-methoxyphenyl)-2-(4-oxo-2-thiophen-2-ylpyrazolo[1,5-d][1,2,4]triazin-5-yl)acetamide

C18H14ClN5O3S — CID 46857537

IUPACN-(5-chloro-2-methoxyphenyl)-2-(4-oxo-2-thiophen-2-ylpyrazolo[1,5-d][1,2,4]triazin-5-yl)acetamide
SMILESCOc1ccc(Cl)cc1NC(=O)Cn1ncn2nc(-c3cccs3)cc2c1=O
InChIInChI=1S/C18H14ClN5O3S/c1-27-15-5-4-11(19)7-12(15)21-17(25)9-23-18(26)14-8-13(16-3-2-6-28-16)22-24(14)10-20-23/h2-8,10H,9H2,1H3,(H,21,25)
InChIKeyRCNRACSTTVRMNS-UHFFFAOYSA-N
MW415.86 g/mol
LogP2.92
Rot. Bonds5

About N-(5-chloro-2-methoxyphenyl)-2-(4-oxo-2-thiophen-2-ylpyrazolo[1,5-d][1,2,4]triazin-5-yl)acetamide

N-(5-chloro-2-methoxyphenyl)-2-(4-oxo-2-thiophen-2-ylpyrazolo[1,5-d][1,2,4]triazin-5-yl)acetamide (PubChem CID 46857537) has the molecular formula C18H14ClN5O3S and a molecular weight of 415.86 g/mol. Its IUPAC name is N-(5-chloro-2-methoxyphenyl)-2-(4-oxo-2-thiophen-2-ylpyrazolo[1,5-d][1,2,4]triazin-5-yl)acetamide.

Molecular Properties

Compound NameN-(5-chloro-2-methoxyphenyl)-2-(4-oxo-2-thiophen-2-ylpyrazolo[1,5-d][1,2,4]triazin-5-yl)acetamide
PubChem CID46857537
Molecular FormulaC18H14ClN5O3S
Molecular Weight415.86 g/mol
Exact Mass415.05
IUPAC NameN-(5-chloro-2-methoxyphenyl)-2-(4-oxo-2-thiophen-2-ylpyrazolo[1,5-d][1,2,4]triazin-5-yl)acetamide
SMILESCOc1ccc(Cl)cc1NC(=O)Cn1ncn2nc(-c3cccs3)cc2c1=O
InChIInChI=1S/C18H14ClN5O3S/c1-27-15-5-4-11(19)7-12(15)21-17(25)9-23-18(26)14-8-13(16-3-2-6-28-16)22-24(14)10-20-23/h2-8,10H,9H2,1H3,(H,21,25)
InChIKeyRCNRACSTTVRMNS-UHFFFAOYSA-N
XLogP2.92
TPSA90.52 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.86
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

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N-(4-ethylphenyl)-2-(4-oxo-2-thiophen-2-ylpyrazolo[1,5-d][1,2,4]triazin-5-yl)acetamide
CID 46857517
N-(5-chloro-2,4-dimethoxyphenyl)-2-(2-naphthalen-1-yl-4-oxopyrazolo[1,5-d][1,2,4]triazin-5-yl)acetamide
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2-(5-amino-6-oxo-3-thiophen-2-ylpyridazin-1-yl)-N-(2-methoxyphenyl)acetamide
CID 46960778
N-[(3-fluorophenyl)methyl]-2-(4-oxo-2-thiophen-2-ylpyrazolo[1,5-d][1,2,4]triazin-5-yl)acetamide
CID 22513250
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CID 16956891
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CID 53370217
N-(5-chloro-2-methoxyphenyl)-2-(2-oxo-4-thiophen-2-yl-3H-1,5-benzodiazepin-1-yl)acetamide
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[2-(5-chloro-2-methoxyanilino)-2-oxoethyl] 1-ethyl-6-thiophen-2-ylpyrazolo[5,4-b]pyridine-4-carboxylate
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N-(3-morpholin-4-ylpropyl)-2-(4-oxo-2-thiophen-2-ylpyrazolo[1,5-d][1,2,4]triazin-5-yl)acetamide
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Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2-methoxyphenyl)-2-(4-oxo-2-thiophen-2-ylpyrazolo[1,5-d][1,2,4]triazin-5-yl)acetamide?
The IUPAC name of N-(5-chloro-2-methoxyphenyl)-2-(4-oxo-2-thiophen-2-ylpyrazolo[1,5-d][1,2,4]triazin-5-yl)acetamide (CID 46857537) is N-(5-chloro-2-methoxyphenyl)-2-(4-oxo-2-thiophen-2-ylpyrazolo[1,5-d][1,2,4]triazin-5-yl)acetamide.
What is the SMILES notation for N-(5-chloro-2-methoxyphenyl)-2-(4-oxo-2-thiophen-2-ylpyrazolo[1,5-d][1,2,4]triazin-5-yl)acetamide?
The canonical SMILES for N-(5-chloro-2-methoxyphenyl)-2-(4-oxo-2-thiophen-2-ylpyrazolo[1,5-d][1,2,4]triazin-5-yl)acetamide is COc1ccc(Cl)cc1NC(=O)Cn1ncn2nc(-c3cccs3)cc2c1=O.
What is the InChIKey of N-(5-chloro-2-methoxyphenyl)-2-(4-oxo-2-thiophen-2-ylpyrazolo[1,5-d][1,2,4]triazin-5-yl)acetamide?
The InChIKey is RCNRACSTTVRMNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14ClN5O3S/c1-27-15-5-4-11(19)7-12(15)21-17(25)9-23-18(26)14-8-13(16-3-2-6-28-16)22-24(14)10-20-23/h2-8,10H,9H2,1H3,(H,21,25).
What are the key properties of N-(5-chloro-2-methoxyphenyl)-2-(4-oxo-2-thiophen-2-ylpyrazolo[1,5-d][1,2,4]triazin-5-yl)acetamide?
N-(5-chloro-2-methoxyphenyl)-2-(4-oxo-2-thiophen-2-ylpyrazolo[1,5-d][1,2,4]triazin-5-yl)acetamide has a molecular weight of 415.86 g/mol, XLogP of 2.92, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-2-methoxyphenyl)-2-(4-oxo-2-thiophen-2-ylpyrazolo[1,5-d][1,2,4]triazin-5-yl)acetamide is sourced from PubChem (CID 46857537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).