2-[3-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]indazol-1-yl]-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone

C26H24N8O2 — CID 53130284

IUPAC2-[3-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]indazol-1-yl]-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone
SMILESCc1cccc(-c2noc(-c3nn(CC(=O)N4CCN(c5ncccn5)CC4)c4ccccc34)n2)c1
InChIInChI=1S/C26H24N8O2/c1-18-6-4-7-19(16-18)24-29-25(36-31-24)23-20-8-2-3-9-21(20)34(30-23)17-22(35)32-12-14-33(15-13-32)26-27-10-5-11-28-26/h2-11,16H,12-15,17H2,1H3
InChIKeyGKFSLNOWIYXFJP-UHFFFAOYSA-N
MW480.53 g/mol
LogP3.20
Rot. Bonds5

About 2-[3-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]indazol-1-yl]-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone

2-[3-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]indazol-1-yl]-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone (PubChem CID 53130284) has the molecular formula C26H24N8O2 and a molecular weight of 480.53 g/mol. Its IUPAC name is 2-[3-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]indazol-1-yl]-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone.

Molecular Properties

Compound Name2-[3-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]indazol-1-yl]-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone
PubChem CID53130284
Molecular FormulaC26H24N8O2
Molecular Weight480.53 g/mol
Exact Mass480.20
IUPAC Name2-[3-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]indazol-1-yl]-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone
SMILESCc1cccc(-c2noc(-c3nn(CC(=O)N4CCN(c5ncccn5)CC4)c4ccccc34)n2)c1
InChIInChI=1S/C26H24N8O2/c1-18-6-4-7-19(16-18)24-29-25(36-31-24)23-20-8-2-3-9-21(20)34(30-23)17-22(35)32-12-14-33(15-13-32)26-27-10-5-11-28-26/h2-11,16H,12-15,17H2,1H3
InChIKeyGKFSLNOWIYXFJP-UHFFFAOYSA-N
XLogP3.20
TPSA106.07 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500480.53
LogP ≤ 53.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Analyze 2-[3-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]indazol-1-yl]-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[3-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]indazol-1-yl]-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone?
The IUPAC name of 2-[3-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]indazol-1-yl]-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone (CID 53130284) is 2-[3-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]indazol-1-yl]-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone.
What is the SMILES notation for 2-[3-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]indazol-1-yl]-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone?
The canonical SMILES for 2-[3-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]indazol-1-yl]-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone is Cc1cccc(-c2noc(-c3nn(CC(=O)N4CCN(c5ncccn5)CC4)c4ccccc34)n2)c1.
What is the InChIKey of 2-[3-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]indazol-1-yl]-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone?
The InChIKey is GKFSLNOWIYXFJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24N8O2/c1-18-6-4-7-19(16-18)24-29-25(36-31-24)23-20-8-2-3-9-21(20)34(30-23)17-22(35)32-12-14-33(15-13-32)26-27-10-5-11-28-26/h2-11,16H,12-15,17H2,1H3.
What are the key properties of 2-[3-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]indazol-1-yl]-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone?
2-[3-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]indazol-1-yl]-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone has a molecular weight of 480.53 g/mol, XLogP of 3.20, 5 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]indazol-1-yl]-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone is sourced from PubChem (CID 53130284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).