N-[(4-ethoxyphenyl)methyl]-2-(7-methyl-4-oxo-2-phenylpyrazolo[1,5-d][1,2,4]triazin-5-yl)acetamide

C23H23N5O3 — CID 20953665

IUPACN-[(4-ethoxyphenyl)methyl]-2-(7-methyl-4-oxo-2-phenylpyrazolo[1,5-d][1,2,4]triazin-5-yl)acetamide
SMILESCCOc1ccc(CNC(=O)Cn2nc(C)n3nc(-c4ccccc4)cc3c2=O)cc1
InChIInChI=1S/C23H23N5O3/c1-3-31-19-11-9-17(10-12-19)14-24-22(29)15-27-23(30)21-13-20(18-7-5-4-6-8-18)26-28(21)16(2)25-27/h4-13H,3,14-15H2,1-2H3,(H,24,29)
InChIKeyYNJIPIRUJJRSNA-UHFFFAOYSA-N
MW417.47 g/mol
LogP2.58
Rot. Bonds7

About N-[(4-ethoxyphenyl)methyl]-2-(7-methyl-4-oxo-2-phenylpyrazolo[1,5-d][1,2,4]triazin-5-yl)acetamide

N-[(4-ethoxyphenyl)methyl]-2-(7-methyl-4-oxo-2-phenylpyrazolo[1,5-d][1,2,4]triazin-5-yl)acetamide (PubChem CID 20953665) has the molecular formula C23H23N5O3 and a molecular weight of 417.47 g/mol. Its IUPAC name is N-[(4-ethoxyphenyl)methyl]-2-(7-methyl-4-oxo-2-phenylpyrazolo[1,5-d][1,2,4]triazin-5-yl)acetamide.

Molecular Properties

Compound NameN-[(4-ethoxyphenyl)methyl]-2-(7-methyl-4-oxo-2-phenylpyrazolo[1,5-d][1,2,4]triazin-5-yl)acetamide
PubChem CID20953665
Molecular FormulaC23H23N5O3
Molecular Weight417.47 g/mol
Exact Mass417.18
IUPAC NameN-[(4-ethoxyphenyl)methyl]-2-(7-methyl-4-oxo-2-phenylpyrazolo[1,5-d][1,2,4]triazin-5-yl)acetamide
SMILESCCOc1ccc(CNC(=O)Cn2nc(C)n3nc(-c4ccccc4)cc3c2=O)cc1
InChIInChI=1S/C23H23N5O3/c1-3-31-19-11-9-17(10-12-19)14-24-22(29)15-27-23(30)21-13-20(18-7-5-4-6-8-18)26-28(21)16(2)25-27/h4-13H,3,14-15H2,1-2H3,(H,24,29)
InChIKeyYNJIPIRUJJRSNA-UHFFFAOYSA-N
XLogP2.58
TPSA90.52 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.47
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[(4-ethoxyphenyl)methyl]-2-(7-methyl-4-oxo-2-phenylpyrazolo[1,5-d][1,2,4]triazin-5-yl)acetamide?
The IUPAC name of N-[(4-ethoxyphenyl)methyl]-2-(7-methyl-4-oxo-2-phenylpyrazolo[1,5-d][1,2,4]triazin-5-yl)acetamide (CID 20953665) is N-[(4-ethoxyphenyl)methyl]-2-(7-methyl-4-oxo-2-phenylpyrazolo[1,5-d][1,2,4]triazin-5-yl)acetamide.
What is the SMILES notation for N-[(4-ethoxyphenyl)methyl]-2-(7-methyl-4-oxo-2-phenylpyrazolo[1,5-d][1,2,4]triazin-5-yl)acetamide?
The canonical SMILES for N-[(4-ethoxyphenyl)methyl]-2-(7-methyl-4-oxo-2-phenylpyrazolo[1,5-d][1,2,4]triazin-5-yl)acetamide is CCOc1ccc(CNC(=O)Cn2nc(C)n3nc(-c4ccccc4)cc3c2=O)cc1.
What is the InChIKey of N-[(4-ethoxyphenyl)methyl]-2-(7-methyl-4-oxo-2-phenylpyrazolo[1,5-d][1,2,4]triazin-5-yl)acetamide?
The InChIKey is YNJIPIRUJJRSNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N5O3/c1-3-31-19-11-9-17(10-12-19)14-24-22(29)15-27-23(30)21-13-20(18-7-5-4-6-8-18)26-28(21)16(2)25-27/h4-13H,3,14-15H2,1-2H3,(H,24,29).
What are the key properties of N-[(4-ethoxyphenyl)methyl]-2-(7-methyl-4-oxo-2-phenylpyrazolo[1,5-d][1,2,4]triazin-5-yl)acetamide?
N-[(4-ethoxyphenyl)methyl]-2-(7-methyl-4-oxo-2-phenylpyrazolo[1,5-d][1,2,4]triazin-5-yl)acetamide has a molecular weight of 417.47 g/mol, XLogP of 2.58, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-ethoxyphenyl)methyl]-2-(7-methyl-4-oxo-2-phenylpyrazolo[1,5-d][1,2,4]triazin-5-yl)acetamide is sourced from PubChem (CID 20953665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).