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

C21H24N6O4 — CID 22513146

IUPAC2-[2-(4-methoxyphenyl)-4-oxopyrazolo[1,5-d][1,2,4]triazin-5-yl]-N-[3-(2-oxopyrrolidin-1-yl)propyl]acetamide
SMILESCOc1ccc(-c2cc3c(=O)n(CC(=O)NCCCN4CCCC4=O)ncn3n2)cc1
InChIInChI=1S/C21H24N6O4/c1-31-16-7-5-15(6-8-16)17-12-18-21(30)26(23-14-27(18)24-17)13-19(28)22-9-3-11-25-10-2-4-20(25)29/h5-8,12,14H,2-4,9-11,13H2,1H3,(H,22,28)
InChIKeyRFCCCQXLUVPEIR-UHFFFAOYSA-N
MW424.46 g/mol
LogP0.70
Rot. Bonds8

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

2-[2-(4-methoxyphenyl)-4-oxopyrazolo[1,5-d][1,2,4]triazin-5-yl]-N-[3-(2-oxopyrrolidin-1-yl)propyl]acetamide (PubChem CID 22513146) has the molecular formula C21H24N6O4 and a molecular weight of 424.46 g/mol. Its IUPAC name is 2-[2-(4-methoxyphenyl)-4-oxopyrazolo[1,5-d][1,2,4]triazin-5-yl]-N-[3-(2-oxopyrrolidin-1-yl)propyl]acetamide.

Molecular Properties

Compound Name2-[2-(4-methoxyphenyl)-4-oxopyrazolo[1,5-d][1,2,4]triazin-5-yl]-N-[3-(2-oxopyrrolidin-1-yl)propyl]acetamide
PubChem CID22513146
Molecular FormulaC21H24N6O4
Molecular Weight424.46 g/mol
Exact Mass424.19
IUPAC Name2-[2-(4-methoxyphenyl)-4-oxopyrazolo[1,5-d][1,2,4]triazin-5-yl]-N-[3-(2-oxopyrrolidin-1-yl)propyl]acetamide
SMILESCOc1ccc(-c2cc3c(=O)n(CC(=O)NCCCN4CCCC4=O)ncn3n2)cc1
InChIInChI=1S/C21H24N6O4/c1-31-16-7-5-15(6-8-16)17-12-18-21(30)26(23-14-27(18)24-17)13-19(28)22-9-3-11-25-10-2-4-20(25)29/h5-8,12,14H,2-4,9-11,13H2,1H3,(H,22,28)
InChIKeyRFCCCQXLUVPEIR-UHFFFAOYSA-N
XLogP0.70
TPSA110.83 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.46
LogP ≤ 50.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-[2-(4-methoxyphenyl)-4-oxopyrazolo[1,5-d][1,2,4]triazin-5-yl]-N-(2-pyrrolidin-1-ylethyl)acetamide
CID 20953559
N-[2-(diethylamino)ethyl]-2-[2-(4-methoxyphenyl)-4-oxopyrazolo[1,5-d][1,2,4]triazin-5-yl]acetamide
CID 20953571
N-cycloheptyl-2-[2-(4-methoxyphenyl)-4-oxopyrazolo[1,5-d][1,2,4]triazin-5-yl]acetamide
CID 22513133
N-[(4-chlorophenyl)methyl]-2-[2-(4-methoxyphenyl)-4-oxopyrazolo[1,5-d][1,2,4]triazin-5-yl]acetamide
CID 22513131
2-(4-methoxyphenyl)-5-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]pyrazolo[1,5-d][1,2,4]triazin-4-one
CID 22513119
N-[(2-methoxyphenyl)methyl]-2-[2-(4-methoxyphenyl)-4-oxopyrazolo[1,5-d][1,2,4]triazin-5-yl]acetamide
CID 22513148
2-[4-[(4-methoxyphenyl)methyl]piperazin-1-yl]-N-[3-(2-oxopyrrolidin-1-yl)propyl]acetamide
CID 9130268
N-[(3-bromophenyl)methyl]-2-[2-(4-methoxyphenyl)-4-oxopyrazolo[1,5-d][1,2,4]triazin-5-yl]acetamide
CID 4615733
2-(7-methoxy-4-methyl-1-oxo-[1,2,4]triazolo[4,3-a]quinolin-2-yl)-N-[3-(2-oxopyrrolidin-1-yl)propyl]acetamide
CID 126468288
2-[2-(4-ethylphenyl)-4-oxopyrazolo[1,5-d][1,2,4]triazin-5-yl]-N-(2-methoxyethyl)acetamide
CID 50926067
2-[2-(4-ethoxyphenyl)-4-oxopyrazolo[1,5-d][1,2,4]triazin-5-yl]-N-[(3-methoxyphenyl)methyl]acetamide
CID 42100144
1-(4-methoxyphenyl)-3-[3-(2-oxopyrrolidin-1-yl)propyl]urea
CID 2215682

Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-methoxyphenyl)-4-oxopyrazolo[1,5-d][1,2,4]triazin-5-yl]-N-[3-(2-oxopyrrolidin-1-yl)propyl]acetamide?
The IUPAC name of 2-[2-(4-methoxyphenyl)-4-oxopyrazolo[1,5-d][1,2,4]triazin-5-yl]-N-[3-(2-oxopyrrolidin-1-yl)propyl]acetamide (CID 22513146) is 2-[2-(4-methoxyphenyl)-4-oxopyrazolo[1,5-d][1,2,4]triazin-5-yl]-N-[3-(2-oxopyrrolidin-1-yl)propyl]acetamide.
What is the SMILES notation for 2-[2-(4-methoxyphenyl)-4-oxopyrazolo[1,5-d][1,2,4]triazin-5-yl]-N-[3-(2-oxopyrrolidin-1-yl)propyl]acetamide?
The canonical SMILES for 2-[2-(4-methoxyphenyl)-4-oxopyrazolo[1,5-d][1,2,4]triazin-5-yl]-N-[3-(2-oxopyrrolidin-1-yl)propyl]acetamide is COc1ccc(-c2cc3c(=O)n(CC(=O)NCCCN4CCCC4=O)ncn3n2)cc1.
What is the InChIKey of 2-[2-(4-methoxyphenyl)-4-oxopyrazolo[1,5-d][1,2,4]triazin-5-yl]-N-[3-(2-oxopyrrolidin-1-yl)propyl]acetamide?
The InChIKey is RFCCCQXLUVPEIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N6O4/c1-31-16-7-5-15(6-8-16)17-12-18-21(30)26(23-14-27(18)24-17)13-19(28)22-9-3-11-25-10-2-4-20(25)29/h5-8,12,14H,2-4,9-11,13H2,1H3,(H,22,28).
What are the key properties of 2-[2-(4-methoxyphenyl)-4-oxopyrazolo[1,5-d][1,2,4]triazin-5-yl]-N-[3-(2-oxopyrrolidin-1-yl)propyl]acetamide?
2-[2-(4-methoxyphenyl)-4-oxopyrazolo[1,5-d][1,2,4]triazin-5-yl]-N-[3-(2-oxopyrrolidin-1-yl)propyl]acetamide has a molecular weight of 424.46 g/mol, XLogP of 0.70, 8 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-methoxyphenyl)-4-oxopyrazolo[1,5-d][1,2,4]triazin-5-yl]-N-[3-(2-oxopyrrolidin-1-yl)propyl]acetamide is sourced from PubChem (CID 22513146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).