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

C25H27N5O5 — CID 46271402

IUPACN-[2-(2,4-dimethoxyphenyl)ethyl]-2-[2-(4-methoxyphenyl)-7-methyl-4-oxopyrazolo[1,5-d][1,2,4]triazin-5-yl]acetamide
SMILESCOc1ccc(-c2cc3c(=O)n(CC(=O)NCCc4ccc(OC)cc4OC)nc(C)n3n2)cc1
InChIInChI=1S/C25H27N5O5/c1-16-27-29(15-24(31)26-12-11-18-7-10-20(34-3)13-23(18)35-4)25(32)22-14-21(28-30(16)22)17-5-8-19(33-2)9-6-17/h5-10,13-14H,11-12,15H2,1-4H3,(H,26,31)
InChIKeyQFRZXMWGZZXJFU-UHFFFAOYSA-N
MW477.52 g/mol
LogP2.25
Rot. Bonds9

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

N-[2-(2,4-dimethoxyphenyl)ethyl]-2-[2-(4-methoxyphenyl)-7-methyl-4-oxopyrazolo[1,5-d][1,2,4]triazin-5-yl]acetamide (PubChem CID 46271402) has the molecular formula C25H27N5O5 and a molecular weight of 477.52 g/mol. Its IUPAC name is N-[2-(2,4-dimethoxyphenyl)ethyl]-2-[2-(4-methoxyphenyl)-7-methyl-4-oxopyrazolo[1,5-d][1,2,4]triazin-5-yl]acetamide.

Molecular Properties

Compound NameN-[2-(2,4-dimethoxyphenyl)ethyl]-2-[2-(4-methoxyphenyl)-7-methyl-4-oxopyrazolo[1,5-d][1,2,4]triazin-5-yl]acetamide
PubChem CID46271402
Molecular FormulaC25H27N5O5
Molecular Weight477.52 g/mol
Exact Mass477.20
IUPAC NameN-[2-(2,4-dimethoxyphenyl)ethyl]-2-[2-(4-methoxyphenyl)-7-methyl-4-oxopyrazolo[1,5-d][1,2,4]triazin-5-yl]acetamide
SMILESCOc1ccc(-c2cc3c(=O)n(CC(=O)NCCc4ccc(OC)cc4OC)nc(C)n3n2)cc1
InChIInChI=1S/C25H27N5O5/c1-16-27-29(15-24(31)26-12-11-18-7-10-20(34-3)13-23(18)35-4)25(32)22-14-21(28-30(16)22)17-5-8-19(33-2)9-6-17/h5-10,13-14H,11-12,15H2,1-4H3,(H,26,31)
InChIKeyQFRZXMWGZZXJFU-UHFFFAOYSA-N
XLogP2.25
TPSA108.98 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds9
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500477.52
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Related Compounds

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-methoxyphenyl)-2-[2-(4-methoxyphenyl)-7-methyl-4-oxopyrazolo[1,5-d][1,2,4]triazin-5-yl]acetamide
CID 20953754
N-[2-(4-ethoxyphenyl)ethyl]-2-[2-(4-ethylphenyl)-7-methyl-4-oxopyrazolo[1,5-d][1,2,4]triazin-5-yl]acetamide
CID 20953669
N-(3-methoxypropyl)-2-(7-methyl-4-oxo-2-phenylpyrazolo[1,5-d][1,2,4]triazin-5-yl)acetamide
CID 20953643
2-(7-methyl-4-oxo-2-phenylpyrazolo[1,5-d][1,2,4]triazin-5-yl)-N-propylacetamide
CID 20953619
N-[2-(2,4-dimethoxyphenyl)ethyl]-2-(3,6,7-trimethyl-2-oxoquinoxalin-1-yl)acetamide
CID 46295554
N-[2-(4-chlorophenyl)ethyl]-2-(7-methyl-4-oxo-2-phenylpyrazolo[1,5-d][1,2,4]triazin-5-yl)acetamide
CID 20953605
N-[2-(cyclohexen-1-yl)ethyl]-2-(7-methyl-4-oxo-2-phenylpyrazolo[1,5-d][1,2,4]triazin-5-yl)acetamide
CID 20953640
2-[2-(4-ethylphenyl)-7-methyl-4-oxopyrazolo[1,5-d][1,2,4]triazin-5-yl]-N-[(4-methylphenyl)methyl]acetamide
CID 22513326
N-[(2-ethoxyphenyl)methyl]-2-(7-methyl-4-oxo-2-phenylpyrazolo[1,5-d][1,2,4]triazin-5-yl)acetamide
CID 20953660
N-[2-(2,4-dimethoxyphenyl)ethyl]-2-hydroxyacetamide
CID 94687467
N-[(2-methoxyphenyl)methyl]-2-[2-(4-methoxyphenyl)-4-oxopyrazolo[1,5-d][1,2,4]triazin-5-yl]acetamide
CID 22513148

Frequently Asked Questions

What is the IUPAC name of N-[2-(2,4-dimethoxyphenyl)ethyl]-2-[2-(4-methoxyphenyl)-7-methyl-4-oxopyrazolo[1,5-d][1,2,4]triazin-5-yl]acetamide?
The IUPAC name of 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) is N-[2-(2,4-dimethoxyphenyl)ethyl]-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-[2-(2,4-dimethoxyphenyl)ethyl]-2-[2-(4-methoxyphenyl)-7-methyl-4-oxopyrazolo[1,5-d][1,2,4]triazin-5-yl]acetamide?
The canonical SMILES for N-[2-(2,4-dimethoxyphenyl)ethyl]-2-[2-(4-methoxyphenyl)-7-methyl-4-oxopyrazolo[1,5-d][1,2,4]triazin-5-yl]acetamide is COc1ccc(-c2cc3c(=O)n(CC(=O)NCCc4ccc(OC)cc4OC)nc(C)n3n2)cc1.
What is the InChIKey of N-[2-(2,4-dimethoxyphenyl)ethyl]-2-[2-(4-methoxyphenyl)-7-methyl-4-oxopyrazolo[1,5-d][1,2,4]triazin-5-yl]acetamide?
The InChIKey is QFRZXMWGZZXJFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27N5O5/c1-16-27-29(15-24(31)26-12-11-18-7-10-20(34-3)13-23(18)35-4)25(32)22-14-21(28-30(16)22)17-5-8-19(33-2)9-6-17/h5-10,13-14H,11-12,15H2,1-4H3,(H,26,31).
What are the key properties of N-[2-(2,4-dimethoxyphenyl)ethyl]-2-[2-(4-methoxyphenyl)-7-methyl-4-oxopyrazolo[1,5-d][1,2,4]triazin-5-yl]acetamide?
N-[2-(2,4-dimethoxyphenyl)ethyl]-2-[2-(4-methoxyphenyl)-7-methyl-4-oxopyrazolo[1,5-d][1,2,4]triazin-5-yl]acetamide has a molecular weight of 477.52 g/mol, XLogP of 2.25, 9 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2,4-dimethoxyphenyl)ethyl]-2-[2-(4-methoxyphenyl)-7-methyl-4-oxopyrazolo[1,5-d][1,2,4]triazin-5-yl]acetamide is sourced from PubChem (CID 46271402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).