3-[4-fluoro-2-(trifluoromethyl)phenyl]-6-[(E)-3-(methylaminooxy)-1-phenylprop-1-enyl]imidazo[1,2-a]pyridin-2-amine

C24H20F4N4O — CID 18685783

IUPAC3-[4-fluoro-2-(trifluoromethyl)phenyl]-6-[(E)-3-(methylaminooxy)-1-phenylprop-1-enyl]imidazo[1,2-a]pyridin-2-amine
SMILESCNOC/C=C(\c1ccccc1)c1ccc2nc(N)c(-c3ccc(F)cc3C(F)(F)F)n2c1
InChIInChI=1S/C24H20F4N4O/c1-30-33-12-11-18(15-5-3-2-4-6-15)16-7-10-21-31-23(29)22(32(21)14-16)19-9-8-17(25)13-20(19)24(26,27)28/h2-11,13-14,30H,12,29H2,1H3/b18-11+
InChIKeyDSYCACWEXBCCDZ-WOJGMQOQSA-N
MW456.44 g/mol
LogP5.32
Rot. Bonds6

About 3-[4-fluoro-2-(trifluoromethyl)phenyl]-6-[(E)-3-(methylaminooxy)-1-phenylprop-1-enyl]imidazo[1,2-a]pyridin-2-amine

3-[4-fluoro-2-(trifluoromethyl)phenyl]-6-[(E)-3-(methylaminooxy)-1-phenylprop-1-enyl]imidazo[1,2-a]pyridin-2-amine (PubChem CID 18685783) has the molecular formula C24H20F4N4O and a molecular weight of 456.44 g/mol. Its IUPAC name is 3-[4-fluoro-2-(trifluoromethyl)phenyl]-6-[(E)-3-(methylaminooxy)-1-phenylprop-1-enyl]imidazo[1,2-a]pyridin-2-amine.

Molecular Properties

Compound Name3-[4-fluoro-2-(trifluoromethyl)phenyl]-6-[(E)-3-(methylaminooxy)-1-phenylprop-1-enyl]imidazo[1,2-a]pyridin-2-amine
PubChem CID18685783
Molecular FormulaC24H20F4N4O
Molecular Weight456.44 g/mol
Exact Mass456.16
IUPAC Name3-[4-fluoro-2-(trifluoromethyl)phenyl]-6-[(E)-3-(methylaminooxy)-1-phenylprop-1-enyl]imidazo[1,2-a]pyridin-2-amine
SMILESCNOC/C=C(\c1ccccc1)c1ccc2nc(N)c(-c3ccc(F)cc3C(F)(F)F)n2c1
InChIInChI=1S/C24H20F4N4O/c1-30-33-12-11-18(15-5-3-2-4-6-15)16-7-10-21-31-23(29)22(32(21)14-16)19-9-8-17(25)13-20(19)24(26,27)28/h2-11,13-14,30H,12,29H2,1H3/b18-11+
InChIKeyDSYCACWEXBCCDZ-WOJGMQOQSA-N
XLogP5.32
TPSA64.58 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500456.44
LogP ≤ 55.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 3-[4-fluoro-2-(trifluoromethyl)phenyl]-6-[(E)-3-(methylaminooxy)-1-phenylprop-1-enyl]imidazo[1,2-a]pyridin-2-amine 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 3-[4-fluoro-2-(trifluoromethyl)phenyl]-6-[(E)-3-(methylaminooxy)-1-phenylprop-1-enyl]imidazo[1,2-a]pyridin-2-amine?
The IUPAC name of 3-[4-fluoro-2-(trifluoromethyl)phenyl]-6-[(E)-3-(methylaminooxy)-1-phenylprop-1-enyl]imidazo[1,2-a]pyridin-2-amine (CID 18685783) is 3-[4-fluoro-2-(trifluoromethyl)phenyl]-6-[(E)-3-(methylaminooxy)-1-phenylprop-1-enyl]imidazo[1,2-a]pyridin-2-amine.
What is the SMILES notation for 3-[4-fluoro-2-(trifluoromethyl)phenyl]-6-[(E)-3-(methylaminooxy)-1-phenylprop-1-enyl]imidazo[1,2-a]pyridin-2-amine?
The canonical SMILES for 3-[4-fluoro-2-(trifluoromethyl)phenyl]-6-[(E)-3-(methylaminooxy)-1-phenylprop-1-enyl]imidazo[1,2-a]pyridin-2-amine is CNOC/C=C(\c1ccccc1)c1ccc2nc(N)c(-c3ccc(F)cc3C(F)(F)F)n2c1.
What is the InChIKey of 3-[4-fluoro-2-(trifluoromethyl)phenyl]-6-[(E)-3-(methylaminooxy)-1-phenylprop-1-enyl]imidazo[1,2-a]pyridin-2-amine?
The InChIKey is DSYCACWEXBCCDZ-WOJGMQOQSA-N. The full InChI is InChI=1S/C24H20F4N4O/c1-30-33-12-11-18(15-5-3-2-4-6-15)16-7-10-21-31-23(29)22(32(21)14-16)19-9-8-17(25)13-20(19)24(26,27)28/h2-11,13-14,30H,12,29H2,1H3/b18-11+.
What are the key properties of 3-[4-fluoro-2-(trifluoromethyl)phenyl]-6-[(E)-3-(methylaminooxy)-1-phenylprop-1-enyl]imidazo[1,2-a]pyridin-2-amine?
3-[4-fluoro-2-(trifluoromethyl)phenyl]-6-[(E)-3-(methylaminooxy)-1-phenylprop-1-enyl]imidazo[1,2-a]pyridin-2-amine has a molecular weight of 456.44 g/mol, XLogP of 5.32, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-fluoro-2-(trifluoromethyl)phenyl]-6-[(E)-3-(methylaminooxy)-1-phenylprop-1-enyl]imidazo[1,2-a]pyridin-2-amine is sourced from PubChem (CID 18685783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).