N-(4-methoxyphenyl)-2-[2-(4-methoxyphenyl)-7-methyl-4-oxopyrazolo[1,5-d][1,2,4]triazin-5-yl]acetamide

C22H21N5O4 — CID 20953754

IUPACN-(4-methoxyphenyl)-2-[2-(4-methoxyphenyl)-7-methyl-4-oxopyrazolo[1,5-d][1,2,4]triazin-5-yl]acetamide
SMILESCOc1ccc(NC(=O)Cn2nc(C)n3nc(-c4ccc(OC)cc4)cc3c2=O)cc1
InChIInChI=1S/C22H21N5O4/c1-14-24-26(13-21(28)23-16-6-10-18(31-3)11-7-16)22(29)20-12-19(25-27(14)20)15-4-8-17(30-2)9-5-15/h4-12H,13H2,1-3H3,(H,23,28)
InChIKeySZSFAFRMSXKPIK-UHFFFAOYSA-N
MW419.44 g/mol
LogP2.52
Rot. Bonds6

About N-(4-methoxyphenyl)-2-[2-(4-methoxyphenyl)-7-methyl-4-oxopyrazolo[1,5-d][1,2,4]triazin-5-yl]acetamide

N-(4-methoxyphenyl)-2-[2-(4-methoxyphenyl)-7-methyl-4-oxopyrazolo[1,5-d][1,2,4]triazin-5-yl]acetamide (PubChem CID 20953754) has the molecular formula C22H21N5O4 and a molecular weight of 419.44 g/mol. Its IUPAC name is N-(4-methoxyphenyl)-2-[2-(4-methoxyphenyl)-7-methyl-4-oxopyrazolo[1,5-d][1,2,4]triazin-5-yl]acetamide.

Molecular Properties

Compound NameN-(4-methoxyphenyl)-2-[2-(4-methoxyphenyl)-7-methyl-4-oxopyrazolo[1,5-d][1,2,4]triazin-5-yl]acetamide
PubChem CID20953754
Molecular FormulaC22H21N5O4
Molecular Weight419.44 g/mol
Exact Mass419.16
IUPAC NameN-(4-methoxyphenyl)-2-[2-(4-methoxyphenyl)-7-methyl-4-oxopyrazolo[1,5-d][1,2,4]triazin-5-yl]acetamide
SMILESCOc1ccc(NC(=O)Cn2nc(C)n3nc(-c4ccc(OC)cc4)cc3c2=O)cc1
InChIInChI=1S/C22H21N5O4/c1-14-24-26(13-21(28)23-16-6-10-18(31-3)11-7-16)22(29)20-12-19(25-27(14)20)15-4-8-17(30-2)9-5-15/h4-12H,13H2,1-3H3,(H,23,28)
InChIKeySZSFAFRMSXKPIK-UHFFFAOYSA-N
XLogP2.52
TPSA99.75 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.44
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

N-[2-(2,4-dimethoxyphenyl)ethyl]-2-[2-(4-methoxyphenyl)-7-methyl-4-oxopyrazolo[1,5-d][1,2,4]triazin-5-yl]acetamide
CID 46271402
2-[2-(4-methoxyphenyl)-7-methyl-4-oxopyrazolo[1,5-d][1,2,4]triazin-5-yl]-N-(3-phenylpropyl)acetamide
CID 20953720
N-(4-bromophenyl)-2-[3-(4-methoxyphenyl)-6-oxopyridazin-1-yl]acetamide
CID 7660079
N-[2-[2-(4-methoxyanilino)-2-oxoethyl]-3-oxo-6-phenylpyridazin-4-yl]-2-methylpropanamide
CID 50813235
N-(3-methoxypropyl)-2-(7-methyl-4-oxo-2-phenylpyrazolo[1,5-d][1,2,4]triazin-5-yl)acetamide
CID 20953643
N-(4-chlorophenyl)-2-[2-(4-methoxyphenyl)-4-oxopyrazolo[1,5-a]pyrazin-5-yl]acetamide
CID 8721630
2-[3-(4-methoxyphenyl)-6-oxopyridazin-1-yl]-N-(4-methylsulfanylphenyl)acetamide
CID 121050323
N-(4-methoxyphenyl)-2-[3-(4-methylsulfanylphenyl)-6-oxopyridazin-1-yl]acetamide
CID 53370402
2-[4-(4-methoxyphenyl)-1-oxophthalazin-2-yl]-N-(4-methylphenyl)acetamide
CID 23854431
4-[[2-[3-(4-methoxyphenyl)-6-oxopyridazin-1-yl]acetyl]amino]benzamide
CID 51049093
ethyl 4-[[2-[3-(4-methoxyphenyl)-6-oxopyridazin-1-yl]acetyl]amino]benzoate
CID 7660081
N-(4-ethylphenyl)-2-[2-(4-methoxyphenyl)-4-oxopyrazolo[1,5-a]pyrazin-5-yl]acetamide
CID 16875785

Frequently Asked Questions

What is the IUPAC name of N-(4-methoxyphenyl)-2-[2-(4-methoxyphenyl)-7-methyl-4-oxopyrazolo[1,5-d][1,2,4]triazin-5-yl]acetamide?
The IUPAC name of N-(4-methoxyphenyl)-2-[2-(4-methoxyphenyl)-7-methyl-4-oxopyrazolo[1,5-d][1,2,4]triazin-5-yl]acetamide (CID 20953754) is N-(4-methoxyphenyl)-2-[2-(4-methoxyphenyl)-7-methyl-4-oxopyrazolo[1,5-d][1,2,4]triazin-5-yl]acetamide.
What is the SMILES notation for N-(4-methoxyphenyl)-2-[2-(4-methoxyphenyl)-7-methyl-4-oxopyrazolo[1,5-d][1,2,4]triazin-5-yl]acetamide?
The canonical SMILES for N-(4-methoxyphenyl)-2-[2-(4-methoxyphenyl)-7-methyl-4-oxopyrazolo[1,5-d][1,2,4]triazin-5-yl]acetamide is COc1ccc(NC(=O)Cn2nc(C)n3nc(-c4ccc(OC)cc4)cc3c2=O)cc1.
What is the InChIKey of N-(4-methoxyphenyl)-2-[2-(4-methoxyphenyl)-7-methyl-4-oxopyrazolo[1,5-d][1,2,4]triazin-5-yl]acetamide?
The InChIKey is SZSFAFRMSXKPIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21N5O4/c1-14-24-26(13-21(28)23-16-6-10-18(31-3)11-7-16)22(29)20-12-19(25-27(14)20)15-4-8-17(30-2)9-5-15/h4-12H,13H2,1-3H3,(H,23,28).
What are the key properties of N-(4-methoxyphenyl)-2-[2-(4-methoxyphenyl)-7-methyl-4-oxopyrazolo[1,5-d][1,2,4]triazin-5-yl]acetamide?
N-(4-methoxyphenyl)-2-[2-(4-methoxyphenyl)-7-methyl-4-oxopyrazolo[1,5-d][1,2,4]triazin-5-yl]acetamide has a molecular weight of 419.44 g/mol, XLogP of 2.52, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methoxyphenyl)-2-[2-(4-methoxyphenyl)-7-methyl-4-oxopyrazolo[1,5-d][1,2,4]triazin-5-yl]acetamide is sourced from PubChem (CID 20953754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).