N-(2,5-dimethoxyphenyl)-2-[2-(3,4-dimethylphenyl)-4-oxo-1,2,3,3a-tetrahydropyrazolo[1,5-d][1,2,4]triazin-5-yl]acetamide

C23H27N5O4 — CID 74776113

IUPACN-(2,5-dimethoxyphenyl)-2-[2-(3,4-dimethylphenyl)-4-oxo-1,2,3,3a-tetrahydropyrazolo[1,5-d][1,2,4]triazin-5-yl]acetamide
SMILESCOc1ccc(OC)c(NC(=O)CN2N=CN3NC(c4ccc(C)c(C)c4)CC3C2=O)c1
InChIInChI=1S/C23H27N5O4/c1-14-5-6-16(9-15(14)2)18-11-20-23(30)27(24-13-28(20)26-18)12-22(29)25-19-10-17(31-3)7-8-21(19)32-4/h5-10,13,18,20,26H,11-12H2,1-4H3,(H,25,29)
InChIKeyHMVOYPYESXBQJB-UHFFFAOYSA-N
MW437.50 g/mol
LogP2.36
Rot. Bonds6

About N-(2,5-dimethoxyphenyl)-2-[2-(3,4-dimethylphenyl)-4-oxo-1,2,3,3a-tetrahydropyrazolo[1,5-d][1,2,4]triazin-5-yl]acetamide

N-(2,5-dimethoxyphenyl)-2-[2-(3,4-dimethylphenyl)-4-oxo-1,2,3,3a-tetrahydropyrazolo[1,5-d][1,2,4]triazin-5-yl]acetamide (PubChem CID 74776113) has the molecular formula C23H27N5O4 and a molecular weight of 437.50 g/mol. Its IUPAC name is N-(2,5-dimethoxyphenyl)-2-[2-(3,4-dimethylphenyl)-4-oxo-1,2,3,3a-tetrahydropyrazolo[1,5-d][1,2,4]triazin-5-yl]acetamide.

Molecular Properties

Compound NameN-(2,5-dimethoxyphenyl)-2-[2-(3,4-dimethylphenyl)-4-oxo-1,2,3,3a-tetrahydropyrazolo[1,5-d][1,2,4]triazin-5-yl]acetamide
PubChem CID74776113
Molecular FormulaC23H27N5O4
Molecular Weight437.50 g/mol
Exact Mass437.21
IUPAC NameN-(2,5-dimethoxyphenyl)-2-[2-(3,4-dimethylphenyl)-4-oxo-1,2,3,3a-tetrahydropyrazolo[1,5-d][1,2,4]triazin-5-yl]acetamide
SMILESCOc1ccc(OC)c(NC(=O)CN2N=CN3NC(c4ccc(C)c(C)c4)CC3C2=O)c1
InChIInChI=1S/C23H27N5O4/c1-14-5-6-16(9-15(14)2)18-11-20-23(30)27(24-13-28(20)26-18)12-22(29)25-19-10-17(31-3)7-8-21(19)32-4/h5-10,13,18,20,26H,11-12H2,1-4H3,(H,25,29)
InChIKeyHMVOYPYESXBQJB-UHFFFAOYSA-N
XLogP2.36
TPSA95.50 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.50
LogP ≤ 52.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

N-(3,4-dimethoxyphenyl)-2-[2-(4-ethoxyphenyl)-4-oxo-1,2,3,3a-tetrahydropyrazolo[1,5-d][1,2,4]triazin-5-yl]acetamide
CID 74776132
2-[2-(4-ethylphenyl)-4-oxo-1,2,3,3a-tetrahydropyrazolo[1,5-d][1,2,4]triazin-5-yl]-N-(3,4,5-trimethoxyphenyl)acetamide
CID 75583535
2-[11-(3,4-dimethylphenyl)-5-oxo-3,4,6,9,10-pentazatricyclo[7.3.0.02,6]dodec-7-en-4-yl]-N-(2-methoxyphenyl)acetamide
CID 52992254
2-[2-(3,4-dimethoxyphenyl)-4-oxo-1,2,3,3a-tetrahydropyrazolo[1,5-a]pyrazin-5-yl]-N-(3-fluoro-4-methylphenyl)acetamide
CID 73340812
methyl 2-[[2-[2-(3,4-dimethoxyphenyl)-4-oxo-1,2,3,3a-tetrahydropyrazolo[1,5-a]pyrazin-5-yl]acetyl]amino]benzoate
CID 73340816
N-(3-chloro-4-methoxyphenyl)-2-[2-(4-methoxyphenyl)-4-oxo-1,2,3,3a-tetrahydropyrazolo[1,5-a]pyrazin-5-yl]acetamide
CID 73338614
N-(2,5-dimethoxyphenyl)-2-[(1S,2R,6R,7S)-3,5-dioxo-4-azatricyclo[5.2.1.02,6]decan-4-yl]acetamide
CID 98232752
N-(2,5-dimethoxyphenyl)-2-(3,5-dioxo-4-azatricyclo[5.2.1.02,6]decan-4-yl)acetamide
CID 2924640
N-(2,5-dimethoxyphenyl)-2-[(1S,2S,6S,7S)-3,5-dioxo-4-azatricyclo[5.2.1.02,6]decan-4-yl]acetamide
CID 6600773
N-(2,4-dimethoxyphenyl)-2-[11-(4-methoxyphenyl)-5-oxo-3,4,6,9,10-pentazatricyclo[7.3.0.02,6]dodec-7-en-4-yl]acetamide
CID 52992396
N,N'-bis(2,5-dimethoxyphenyl)butanediamide
CID 1011774
N-(2,5-dimethoxyphenyl)-2-pyrrolidin-1-ylacetamide
CID 8901780

Frequently Asked Questions

What is the IUPAC name of N-(2,5-dimethoxyphenyl)-2-[2-(3,4-dimethylphenyl)-4-oxo-1,2,3,3a-tetrahydropyrazolo[1,5-d][1,2,4]triazin-5-yl]acetamide?
The IUPAC name of N-(2,5-dimethoxyphenyl)-2-[2-(3,4-dimethylphenyl)-4-oxo-1,2,3,3a-tetrahydropyrazolo[1,5-d][1,2,4]triazin-5-yl]acetamide (CID 74776113) is N-(2,5-dimethoxyphenyl)-2-[2-(3,4-dimethylphenyl)-4-oxo-1,2,3,3a-tetrahydropyrazolo[1,5-d][1,2,4]triazin-5-yl]acetamide.
What is the SMILES notation for N-(2,5-dimethoxyphenyl)-2-[2-(3,4-dimethylphenyl)-4-oxo-1,2,3,3a-tetrahydropyrazolo[1,5-d][1,2,4]triazin-5-yl]acetamide?
The canonical SMILES for N-(2,5-dimethoxyphenyl)-2-[2-(3,4-dimethylphenyl)-4-oxo-1,2,3,3a-tetrahydropyrazolo[1,5-d][1,2,4]triazin-5-yl]acetamide is COc1ccc(OC)c(NC(=O)CN2N=CN3NC(c4ccc(C)c(C)c4)CC3C2=O)c1.
What is the InChIKey of N-(2,5-dimethoxyphenyl)-2-[2-(3,4-dimethylphenyl)-4-oxo-1,2,3,3a-tetrahydropyrazolo[1,5-d][1,2,4]triazin-5-yl]acetamide?
The InChIKey is HMVOYPYESXBQJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N5O4/c1-14-5-6-16(9-15(14)2)18-11-20-23(30)27(24-13-28(20)26-18)12-22(29)25-19-10-17(31-3)7-8-21(19)32-4/h5-10,13,18,20,26H,11-12H2,1-4H3,(H,25,29).
What are the key properties of N-(2,5-dimethoxyphenyl)-2-[2-(3,4-dimethylphenyl)-4-oxo-1,2,3,3a-tetrahydropyrazolo[1,5-d][1,2,4]triazin-5-yl]acetamide?
N-(2,5-dimethoxyphenyl)-2-[2-(3,4-dimethylphenyl)-4-oxo-1,2,3,3a-tetrahydropyrazolo[1,5-d][1,2,4]triazin-5-yl]acetamide has a molecular weight of 437.50 g/mol, XLogP of 2.36, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,5-dimethoxyphenyl)-2-[2-(3,4-dimethylphenyl)-4-oxo-1,2,3,3a-tetrahydropyrazolo[1,5-d][1,2,4]triazin-5-yl]acetamide is sourced from PubChem (CID 74776113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).