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

C20H24N6O3 — CID 20953559

IUPAC2-[2-(4-methoxyphenyl)-4-oxopyrazolo[1,5-d][1,2,4]triazin-5-yl]-N-(2-pyrrolidin-1-ylethyl)acetamide
SMILESCOc1ccc(-c2cc3c(=O)n(CC(=O)NCCN4CCCC4)ncn3n2)cc1
InChIInChI=1S/C20H24N6O3/c1-29-16-6-4-15(5-7-16)17-12-18-20(28)25(22-14-26(18)23-17)13-19(27)21-8-11-24-9-2-3-10-24/h4-7,12,14H,2-3,8-11,13H2,1H3,(H,21,27)
InChIKeyIGFRWMJKBRYCOI-UHFFFAOYSA-N
MW396.45 g/mol
LogP0.78
Rot. Bonds7

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

2-[2-(4-methoxyphenyl)-4-oxopyrazolo[1,5-d][1,2,4]triazin-5-yl]-N-(2-pyrrolidin-1-ylethyl)acetamide (PubChem CID 20953559) has the molecular formula C20H24N6O3 and a molecular weight of 396.45 g/mol. Its IUPAC name is 2-[2-(4-methoxyphenyl)-4-oxopyrazolo[1,5-d][1,2,4]triazin-5-yl]-N-(2-pyrrolidin-1-ylethyl)acetamide.

Molecular Properties

Compound Name2-[2-(4-methoxyphenyl)-4-oxopyrazolo[1,5-d][1,2,4]triazin-5-yl]-N-(2-pyrrolidin-1-ylethyl)acetamide
PubChem CID20953559
Molecular FormulaC20H24N6O3
Molecular Weight396.45 g/mol
Exact Mass396.19
IUPAC Name2-[2-(4-methoxyphenyl)-4-oxopyrazolo[1,5-d][1,2,4]triazin-5-yl]-N-(2-pyrrolidin-1-ylethyl)acetamide
SMILESCOc1ccc(-c2cc3c(=O)n(CC(=O)NCCN4CCCC4)ncn3n2)cc1
InChIInChI=1S/C20H24N6O3/c1-29-16-6-4-15(5-7-16)17-12-18-20(28)25(22-14-26(18)23-17)13-19(27)21-8-11-24-9-2-3-10-24/h4-7,12,14H,2-3,8-11,13H2,1H3,(H,21,27)
InChIKeyIGFRWMJKBRYCOI-UHFFFAOYSA-N
XLogP0.78
TPSA93.76 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.45
LogP ≤ 50.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

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
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
N-[(3-bromophenyl)methyl]-2-[2-(4-methoxyphenyl)-4-oxopyrazolo[1,5-d][1,2,4]triazin-5-yl]acetamide
CID 4615733
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
N-[2-(diethylamino)ethyl]-2-[2-(4-ethylphenyl)-4-oxopyrazolo[1,5-d][1,2,4]triazin-5-yl]acetamide
CID 20953530
N-[2-(4-chlorophenyl)ethyl]-2-[2-(4-ethoxyphenyl)-4-oxopyrazolo[1,5-d][1,2,4]triazin-5-yl]acetamide
CID 29281740
N-[2-(dimethylamino)ethyl]-2-[2-(4-ethylphenyl)-4-oxopyrazolo[1,5-d][1,2,4]triazin-5-yl]acetamide
CID 20953520

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-(2-pyrrolidin-1-ylethyl)acetamide?
The IUPAC name of 2-[2-(4-methoxyphenyl)-4-oxopyrazolo[1,5-d][1,2,4]triazin-5-yl]-N-(2-pyrrolidin-1-ylethyl)acetamide (CID 20953559) is 2-[2-(4-methoxyphenyl)-4-oxopyrazolo[1,5-d][1,2,4]triazin-5-yl]-N-(2-pyrrolidin-1-ylethyl)acetamide.
What is the SMILES notation for 2-[2-(4-methoxyphenyl)-4-oxopyrazolo[1,5-d][1,2,4]triazin-5-yl]-N-(2-pyrrolidin-1-ylethyl)acetamide?
The canonical SMILES for 2-[2-(4-methoxyphenyl)-4-oxopyrazolo[1,5-d][1,2,4]triazin-5-yl]-N-(2-pyrrolidin-1-ylethyl)acetamide is COc1ccc(-c2cc3c(=O)n(CC(=O)NCCN4CCCC4)ncn3n2)cc1.
What is the InChIKey of 2-[2-(4-methoxyphenyl)-4-oxopyrazolo[1,5-d][1,2,4]triazin-5-yl]-N-(2-pyrrolidin-1-ylethyl)acetamide?
The InChIKey is IGFRWMJKBRYCOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N6O3/c1-29-16-6-4-15(5-7-16)17-12-18-20(28)25(22-14-26(18)23-17)13-19(27)21-8-11-24-9-2-3-10-24/h4-7,12,14H,2-3,8-11,13H2,1H3,(H,21,27).
What are the key properties of 2-[2-(4-methoxyphenyl)-4-oxopyrazolo[1,5-d][1,2,4]triazin-5-yl]-N-(2-pyrrolidin-1-ylethyl)acetamide?
2-[2-(4-methoxyphenyl)-4-oxopyrazolo[1,5-d][1,2,4]triazin-5-yl]-N-(2-pyrrolidin-1-ylethyl)acetamide has a molecular weight of 396.45 g/mol, XLogP of 0.78, 7 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-(2-pyrrolidin-1-ylethyl)acetamide is sourced from PubChem (CID 20953559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).