2-[2-(2,5-dimethylphenyl)-4-oxopyrazolo[1,5-d][1,2,4]triazin-5-yl]-N-[1-(3-methoxyphenyl)ethyl]acetamide

C24H25N5O3 — CID 46857671

IUPAC2-[2-(2,5-dimethylphenyl)-4-oxopyrazolo[1,5-d][1,2,4]triazin-5-yl]-N-[1-(3-methoxyphenyl)ethyl]acetamide
SMILESCOc1cccc(C(C)NC(=O)Cn2ncn3nc(-c4cc(C)ccc4C)cc3c2=O)c1
InChIInChI=1S/C24H25N5O3/c1-15-8-9-16(2)20(10-15)21-12-22-24(31)28(25-14-29(22)27-21)13-23(30)26-17(3)18-6-5-7-19(11-18)32-4/h5-12,14,17H,13H2,1-4H3,(H,26,30)
InChIKeyIXEQHJHXLSKXFF-UHFFFAOYSA-N
MW431.50 g/mol
LogP3.06
Rot. Bonds6

About 2-[2-(2,5-dimethylphenyl)-4-oxopyrazolo[1,5-d][1,2,4]triazin-5-yl]-N-[1-(3-methoxyphenyl)ethyl]acetamide

2-[2-(2,5-dimethylphenyl)-4-oxopyrazolo[1,5-d][1,2,4]triazin-5-yl]-N-[1-(3-methoxyphenyl)ethyl]acetamide (PubChem CID 46857671) has the molecular formula C24H25N5O3 and a molecular weight of 431.50 g/mol. Its IUPAC name is 2-[2-(2,5-dimethylphenyl)-4-oxopyrazolo[1,5-d][1,2,4]triazin-5-yl]-N-[1-(3-methoxyphenyl)ethyl]acetamide.

Molecular Properties

Compound Name2-[2-(2,5-dimethylphenyl)-4-oxopyrazolo[1,5-d][1,2,4]triazin-5-yl]-N-[1-(3-methoxyphenyl)ethyl]acetamide
PubChem CID46857671
Molecular FormulaC24H25N5O3
Molecular Weight431.50 g/mol
Exact Mass431.20
IUPAC Name2-[2-(2,5-dimethylphenyl)-4-oxopyrazolo[1,5-d][1,2,4]triazin-5-yl]-N-[1-(3-methoxyphenyl)ethyl]acetamide
SMILESCOc1cccc(C(C)NC(=O)Cn2ncn3nc(-c4cc(C)ccc4C)cc3c2=O)c1
InChIInChI=1S/C24H25N5O3/c1-15-8-9-16(2)20(10-15)21-12-22-24(31)28(25-14-29(22)27-21)13-23(30)26-17(3)18-6-5-7-19(11-18)32-4/h5-12,14,17H,13H2,1-4H3,(H,26,30)
InChIKeyIXEQHJHXLSKXFF-UHFFFAOYSA-N
XLogP3.06
TPSA90.52 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.50
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

2-[3-(2,5-dimethylphenyl)-6-oxopyridazin-1-yl]-N-(1-phenylethyl)acetamide
CID 121051905
2-[2-(furan-2-yl)-4-oxopyrazolo[1,5-d][1,2,4]triazin-5-yl]-N-(1-phenylethyl)acetamide
CID 22513269
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-(2,5-dimethylphenyl)-4-oxopyrazolo[1,5-d][1,2,4]triazin-5-yl]-N-(4-ethylphenyl)acetamide
CID 46857622
2-[2-(4-ethoxyphenyl)-4-oxopyrazolo[1,5-d][1,2,4]triazin-5-yl]-N-[(3-methoxyphenyl)methyl]acetamide
CID 42100144
2-[2-(furan-2-yl)-4-oxopyrazolo[1,5-d][1,2,4]triazin-5-yl]-N-propan-2-ylacetamide
CID 22513267
N-[(1S)-1-(3-methoxyphenyl)ethyl]-2-(propylamino)acetamide
CID 81373150
N-(2,6-dimethylphenyl)-2-[2-(4-fluorophenyl)-4-oxopyrazolo[1,5-d][1,2,4]triazin-5-yl]acetamide
CID 29279274
N-[2-(diethylamino)ethyl]-2-[2-(4-methoxyphenyl)-4-oxopyrazolo[1,5-d][1,2,4]triazin-5-yl]acetamide
CID 20953571
N-[(1S)-1-(3-methoxyphenyl)ethyl]butanamide
CID 40636094
(3S)-3-[3-(2-methylphenyl)phenyl]-3-[[2-(4-oxopyrazolo[1,5-d][1,2,4]triazin-5-yl)acetyl]amino]propanoic acid
CID 146182952
2-(2,5-dimethylphenyl)-5-[2-oxo-2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]pyrazolo[1,5-d][1,2,4]triazin-4-one
CID 71794666

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2,5-dimethylphenyl)-4-oxopyrazolo[1,5-d][1,2,4]triazin-5-yl]-N-[1-(3-methoxyphenyl)ethyl]acetamide?
The IUPAC name of 2-[2-(2,5-dimethylphenyl)-4-oxopyrazolo[1,5-d][1,2,4]triazin-5-yl]-N-[1-(3-methoxyphenyl)ethyl]acetamide (CID 46857671) is 2-[2-(2,5-dimethylphenyl)-4-oxopyrazolo[1,5-d][1,2,4]triazin-5-yl]-N-[1-(3-methoxyphenyl)ethyl]acetamide.
What is the SMILES notation for 2-[2-(2,5-dimethylphenyl)-4-oxopyrazolo[1,5-d][1,2,4]triazin-5-yl]-N-[1-(3-methoxyphenyl)ethyl]acetamide?
The canonical SMILES for 2-[2-(2,5-dimethylphenyl)-4-oxopyrazolo[1,5-d][1,2,4]triazin-5-yl]-N-[1-(3-methoxyphenyl)ethyl]acetamide is COc1cccc(C(C)NC(=O)Cn2ncn3nc(-c4cc(C)ccc4C)cc3c2=O)c1.
What is the InChIKey of 2-[2-(2,5-dimethylphenyl)-4-oxopyrazolo[1,5-d][1,2,4]triazin-5-yl]-N-[1-(3-methoxyphenyl)ethyl]acetamide?
The InChIKey is IXEQHJHXLSKXFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N5O3/c1-15-8-9-16(2)20(10-15)21-12-22-24(31)28(25-14-29(22)27-21)13-23(30)26-17(3)18-6-5-7-19(11-18)32-4/h5-12,14,17H,13H2,1-4H3,(H,26,30).
What are the key properties of 2-[2-(2,5-dimethylphenyl)-4-oxopyrazolo[1,5-d][1,2,4]triazin-5-yl]-N-[1-(3-methoxyphenyl)ethyl]acetamide?
2-[2-(2,5-dimethylphenyl)-4-oxopyrazolo[1,5-d][1,2,4]triazin-5-yl]-N-[1-(3-methoxyphenyl)ethyl]acetamide has a molecular weight of 431.50 g/mol, XLogP of 3.06, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2,5-dimethylphenyl)-4-oxopyrazolo[1,5-d][1,2,4]triazin-5-yl]-N-[1-(3-methoxyphenyl)ethyl]acetamide is sourced from PubChem (CID 46857671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).