2-[4-(3-ethyl-1,2,4-oxadiazol-5-yl)phenyl]-N-[(1-methyl-3-pyridin-4-ylpyrazol-4-yl)methyl]ethanamine

C22H24N6O — CID 119123580

IUPAC2-[4-(3-ethyl-1,2,4-oxadiazol-5-yl)phenyl]-N-[(1-methyl-3-pyridin-4-ylpyrazol-4-yl)methyl]ethanamine
SMILESCCc1noc(-c2ccc(CCNCc3cn(C)nc3-c3ccncc3)cc2)n1
InChIInChI=1S/C22H24N6O/c1-3-20-25-22(29-27-20)18-6-4-16(5-7-18)8-11-24-14-19-15-28(2)26-21(19)17-9-12-23-13-10-17/h4-7,9-10,12-13,15,24H,3,8,11,14H2,1-2H3
InChIKeyGKJPPIPZMCQFFI-UHFFFAOYSA-N
MW388.48 g/mol
LogP3.43
Rot. Bonds8

About 2-[4-(3-ethyl-1,2,4-oxadiazol-5-yl)phenyl]-N-[(1-methyl-3-pyridin-4-ylpyrazol-4-yl)methyl]ethanamine

2-[4-(3-ethyl-1,2,4-oxadiazol-5-yl)phenyl]-N-[(1-methyl-3-pyridin-4-ylpyrazol-4-yl)methyl]ethanamine (PubChem CID 119123580) has the molecular formula C22H24N6O and a molecular weight of 388.48 g/mol. Its IUPAC name is 2-[4-(3-ethyl-1,2,4-oxadiazol-5-yl)phenyl]-N-[(1-methyl-3-pyridin-4-ylpyrazol-4-yl)methyl]ethanamine.

Molecular Properties

Compound Name2-[4-(3-ethyl-1,2,4-oxadiazol-5-yl)phenyl]-N-[(1-methyl-3-pyridin-4-ylpyrazol-4-yl)methyl]ethanamine
PubChem CID119123580
Molecular FormulaC22H24N6O
Molecular Weight388.48 g/mol
Exact Mass388.20
IUPAC Name2-[4-(3-ethyl-1,2,4-oxadiazol-5-yl)phenyl]-N-[(1-methyl-3-pyridin-4-ylpyrazol-4-yl)methyl]ethanamine
SMILESCCc1noc(-c2ccc(CCNCc3cn(C)nc3-c3ccncc3)cc2)n1
InChIInChI=1S/C22H24N6O/c1-3-20-25-22(29-27-20)18-6-4-16(5-7-18)8-11-24-14-19-15-28(2)26-21(19)17-9-12-23-13-10-17/h4-7,9-10,12-13,15,24H,3,8,11,14H2,1-2H3
InChIKeyGKJPPIPZMCQFFI-UHFFFAOYSA-N
XLogP3.43
TPSA81.66 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.48
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze 2-[4-(3-ethyl-1,2,4-oxadiazol-5-yl)phenyl]-N-[(1-methyl-3-pyridin-4-ylpyrazol-4-yl)methyl]ethanamine 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-[4-(3-ethyl-1,2,4-oxadiazol-5-yl)phenyl]-N-[(1-methyl-3-pyridin-4-ylpyrazol-4-yl)methyl]ethanamine?
The IUPAC name of 2-[4-(3-ethyl-1,2,4-oxadiazol-5-yl)phenyl]-N-[(1-methyl-3-pyridin-4-ylpyrazol-4-yl)methyl]ethanamine (CID 119123580) is 2-[4-(3-ethyl-1,2,4-oxadiazol-5-yl)phenyl]-N-[(1-methyl-3-pyridin-4-ylpyrazol-4-yl)methyl]ethanamine.
What is the SMILES notation for 2-[4-(3-ethyl-1,2,4-oxadiazol-5-yl)phenyl]-N-[(1-methyl-3-pyridin-4-ylpyrazol-4-yl)methyl]ethanamine?
The canonical SMILES for 2-[4-(3-ethyl-1,2,4-oxadiazol-5-yl)phenyl]-N-[(1-methyl-3-pyridin-4-ylpyrazol-4-yl)methyl]ethanamine is CCc1noc(-c2ccc(CCNCc3cn(C)nc3-c3ccncc3)cc2)n1.
What is the InChIKey of 2-[4-(3-ethyl-1,2,4-oxadiazol-5-yl)phenyl]-N-[(1-methyl-3-pyridin-4-ylpyrazol-4-yl)methyl]ethanamine?
The InChIKey is GKJPPIPZMCQFFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N6O/c1-3-20-25-22(29-27-20)18-6-4-16(5-7-18)8-11-24-14-19-15-28(2)26-21(19)17-9-12-23-13-10-17/h4-7,9-10,12-13,15,24H,3,8,11,14H2,1-2H3.
What are the key properties of 2-[4-(3-ethyl-1,2,4-oxadiazol-5-yl)phenyl]-N-[(1-methyl-3-pyridin-4-ylpyrazol-4-yl)methyl]ethanamine?
2-[4-(3-ethyl-1,2,4-oxadiazol-5-yl)phenyl]-N-[(1-methyl-3-pyridin-4-ylpyrazol-4-yl)methyl]ethanamine has a molecular weight of 388.48 g/mol, XLogP of 3.43, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(3-ethyl-1,2,4-oxadiazol-5-yl)phenyl]-N-[(1-methyl-3-pyridin-4-ylpyrazol-4-yl)methyl]ethanamine is sourced from PubChem (CID 119123580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).