2-(2,5-dimethylphenyl)-5-[2-oxo-2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]pyrazolo[1,5-d][1,2,4]triazin-4-one

C24H25N7O2 — CID 71794666

IUPAC2-(2,5-dimethylphenyl)-5-[2-oxo-2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]pyrazolo[1,5-d][1,2,4]triazin-4-one
SMILESCc1ccc(C)c(-c2cc3c(=O)n(CC(=O)N4CCN(c5ccccn5)CC4)ncn3n2)c1
InChIInChI=1S/C24H25N7O2/c1-17-6-7-18(2)19(13-17)20-14-21-24(33)30(26-16-31(21)27-20)15-23(32)29-11-9-28(10-12-29)22-5-3-4-8-25-22/h3-8,13-14,16H,9-12,15H2,1-2H3
InChIKeyUGUWUDQMSNAWGY-UHFFFAOYSA-N
MW443.51 g/mol
LogP1.92
Rot. Bonds4

About 2-(2,5-dimethylphenyl)-5-[2-oxo-2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]pyrazolo[1,5-d][1,2,4]triazin-4-one

2-(2,5-dimethylphenyl)-5-[2-oxo-2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]pyrazolo[1,5-d][1,2,4]triazin-4-one (PubChem CID 71794666) has the molecular formula C24H25N7O2 and a molecular weight of 443.51 g/mol. Its IUPAC name is 2-(2,5-dimethylphenyl)-5-[2-oxo-2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]pyrazolo[1,5-d][1,2,4]triazin-4-one.

Molecular Properties

Compound Name2-(2,5-dimethylphenyl)-5-[2-oxo-2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]pyrazolo[1,5-d][1,2,4]triazin-4-one
PubChem CID71794666
Molecular FormulaC24H25N7O2
Molecular Weight443.51 g/mol
Exact Mass443.21
IUPAC Name2-(2,5-dimethylphenyl)-5-[2-oxo-2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]pyrazolo[1,5-d][1,2,4]triazin-4-one
SMILESCc1ccc(C)c(-c2cc3c(=O)n(CC(=O)N4CCN(c5ccccn5)CC4)ncn3n2)c1
InChIInChI=1S/C24H25N7O2/c1-17-6-7-18(2)19(13-17)20-14-21-24(33)30(26-16-31(21)27-20)15-23(32)29-11-9-28(10-12-29)22-5-3-4-8-25-22/h3-8,13-14,16H,9-12,15H2,1-2H3
InChIKeyUGUWUDQMSNAWGY-UHFFFAOYSA-N
XLogP1.92
TPSA88.63 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.51
LogP ≤ 51.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 2-(2,5-dimethylphenyl)-5-[2-oxo-2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]pyrazolo[1,5-d][1,2,4]triazin-4-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-(2-oxo-2-pyrrolidin-1-ylethyl)-2-phenylpyrazolo[1,5-d][1,2,4]triazin-4-one
CID 20953456
5-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]-2-phenylpyrazolo[1,5-d][1,2,4]triazin-4-one
CID 20953453
(2,5-dimethylphenyl)-(4-pyridin-2-ylpiperazin-1-yl)methanone
CID 925511
2-(4-ethylphenyl)-5-[2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxoethyl]pyrazolo[1,5-d][1,2,4]triazin-4-one
CID 50926116
1,2-bis(4-pyridin-2-ylpiperazin-1-yl)ethanone
CID 2813993
6-methyl-4-[2-oxo-2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]-3H-1,4-benzoxazin-2-one
CID 39068797
2-[2-(2,5-dimethylphenyl)-4-oxopyrazolo[1,5-d][1,2,4]triazin-5-yl]-N-[1-(3-methoxyphenyl)ethyl]acetamide
CID 46857671
2-(2-methoxy-4-methylphenoxy)-1-(4-pyridin-2-ylpiperazin-1-yl)ethanone
CID 18104765
[2-oxo-2-(4-pyridin-2-ylpiperazin-1-yl)ethyl] 2-(2,4-dimethylphenyl)quinoline-4-carboxylate
CID 16570188
1-(4-pyridin-2-ylpiperazin-1-yl)propan-1-one
CID 18714915
3-(N-ethyl-2,4-dimethylanilino)-1-(4-pyridin-2-ylpiperazin-1-yl)propan-1-one
CID 55864955
3-methyl-5-[2-oxo-2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]-1-phenylpyrazolo[4,5-c]pyridin-4-one
CID 46396103

Frequently Asked Questions

What is the IUPAC name of 2-(2,5-dimethylphenyl)-5-[2-oxo-2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]pyrazolo[1,5-d][1,2,4]triazin-4-one?
The IUPAC name of 2-(2,5-dimethylphenyl)-5-[2-oxo-2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]pyrazolo[1,5-d][1,2,4]triazin-4-one (CID 71794666) is 2-(2,5-dimethylphenyl)-5-[2-oxo-2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]pyrazolo[1,5-d][1,2,4]triazin-4-one.
What is the SMILES notation for 2-(2,5-dimethylphenyl)-5-[2-oxo-2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]pyrazolo[1,5-d][1,2,4]triazin-4-one?
The canonical SMILES for 2-(2,5-dimethylphenyl)-5-[2-oxo-2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]pyrazolo[1,5-d][1,2,4]triazin-4-one is Cc1ccc(C)c(-c2cc3c(=O)n(CC(=O)N4CCN(c5ccccn5)CC4)ncn3n2)c1.
What is the InChIKey of 2-(2,5-dimethylphenyl)-5-[2-oxo-2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]pyrazolo[1,5-d][1,2,4]triazin-4-one?
The InChIKey is UGUWUDQMSNAWGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N7O2/c1-17-6-7-18(2)19(13-17)20-14-21-24(33)30(26-16-31(21)27-20)15-23(32)29-11-9-28(10-12-29)22-5-3-4-8-25-22/h3-8,13-14,16H,9-12,15H2,1-2H3.
What are the key properties of 2-(2,5-dimethylphenyl)-5-[2-oxo-2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]pyrazolo[1,5-d][1,2,4]triazin-4-one?
2-(2,5-dimethylphenyl)-5-[2-oxo-2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]pyrazolo[1,5-d][1,2,4]triazin-4-one has a molecular weight of 443.51 g/mol, XLogP of 1.92, 4 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,5-dimethylphenyl)-5-[2-oxo-2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]pyrazolo[1,5-d][1,2,4]triazin-4-one is sourced from PubChem (CID 71794666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).