N-[3-(2,5-difluorophenyl)-6-[(E)-3-(methylaminooxy)-1-phenylprop-1-enyl]imidazo[1,2-a]pyridin-2-yl]-2,2,2-trifluoroacetamide

C25H19F5N4O2 — CID 18685794

IUPACN-[3-(2,5-difluorophenyl)-6-[(E)-3-(methylaminooxy)-1-phenylprop-1-enyl]imidazo[1,2-a]pyridin-2-yl]-2,2,2-trifluoroacetamide
SMILESCNOC/C=C(\c1ccccc1)c1ccc2nc(NC(=O)C(F)(F)F)c(-c3cc(F)ccc3F)n2c1
InChIInChI=1S/C25H19F5N4O2/c1-31-36-12-11-18(15-5-3-2-4-6-15)16-7-10-21-32-23(33-24(35)25(28,29)30)22(34(21)14-16)19-13-17(26)8-9-20(19)27/h2-11,13-14,31H,12H2,1H3,(H,33,35)/b18-11+
InChIKeySFXNWIHGMORZHH-WOJGMQOQSA-N
MW502.44 g/mol
LogP5.36
Rot. Bonds7

About N-[3-(2,5-difluorophenyl)-6-[(E)-3-(methylaminooxy)-1-phenylprop-1-enyl]imidazo[1,2-a]pyridin-2-yl]-2,2,2-trifluoroacetamide

N-[3-(2,5-difluorophenyl)-6-[(E)-3-(methylaminooxy)-1-phenylprop-1-enyl]imidazo[1,2-a]pyridin-2-yl]-2,2,2-trifluoroacetamide (PubChem CID 18685794) has the molecular formula C25H19F5N4O2 and a molecular weight of 502.44 g/mol. Its IUPAC name is N-[3-(2,5-difluorophenyl)-6-[(E)-3-(methylaminooxy)-1-phenylprop-1-enyl]imidazo[1,2-a]pyridin-2-yl]-2,2,2-trifluoroacetamide.

Molecular Properties

Compound NameN-[3-(2,5-difluorophenyl)-6-[(E)-3-(methylaminooxy)-1-phenylprop-1-enyl]imidazo[1,2-a]pyridin-2-yl]-2,2,2-trifluoroacetamide
PubChem CID18685794
Molecular FormulaC25H19F5N4O2
Molecular Weight502.44 g/mol
Exact Mass502.14
IUPAC NameN-[3-(2,5-difluorophenyl)-6-[(E)-3-(methylaminooxy)-1-phenylprop-1-enyl]imidazo[1,2-a]pyridin-2-yl]-2,2,2-trifluoroacetamide
SMILESCNOC/C=C(\c1ccccc1)c1ccc2nc(NC(=O)C(F)(F)F)c(-c3cc(F)ccc3F)n2c1
InChIInChI=1S/C25H19F5N4O2/c1-31-36-12-11-18(15-5-3-2-4-6-15)16-7-10-21-32-23(33-24(35)25(28,29)30)22(34(21)14-16)19-13-17(26)8-9-20(19)27/h2-11,13-14,31H,12H2,1H3,(H,33,35)/b18-11+
InChIKeySFXNWIHGMORZHH-WOJGMQOQSA-N
XLogP5.36
TPSA67.66 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500502.44
LogP ≤ 55.36
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'}

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Frequently Asked Questions

What is the IUPAC name of N-[3-(2,5-difluorophenyl)-6-[(E)-3-(methylaminooxy)-1-phenylprop-1-enyl]imidazo[1,2-a]pyridin-2-yl]-2,2,2-trifluoroacetamide?
The IUPAC name of N-[3-(2,5-difluorophenyl)-6-[(E)-3-(methylaminooxy)-1-phenylprop-1-enyl]imidazo[1,2-a]pyridin-2-yl]-2,2,2-trifluoroacetamide (CID 18685794) is N-[3-(2,5-difluorophenyl)-6-[(E)-3-(methylaminooxy)-1-phenylprop-1-enyl]imidazo[1,2-a]pyridin-2-yl]-2,2,2-trifluoroacetamide.
What is the SMILES notation for N-[3-(2,5-difluorophenyl)-6-[(E)-3-(methylaminooxy)-1-phenylprop-1-enyl]imidazo[1,2-a]pyridin-2-yl]-2,2,2-trifluoroacetamide?
The canonical SMILES for N-[3-(2,5-difluorophenyl)-6-[(E)-3-(methylaminooxy)-1-phenylprop-1-enyl]imidazo[1,2-a]pyridin-2-yl]-2,2,2-trifluoroacetamide is CNOC/C=C(\c1ccccc1)c1ccc2nc(NC(=O)C(F)(F)F)c(-c3cc(F)ccc3F)n2c1.
What is the InChIKey of N-[3-(2,5-difluorophenyl)-6-[(E)-3-(methylaminooxy)-1-phenylprop-1-enyl]imidazo[1,2-a]pyridin-2-yl]-2,2,2-trifluoroacetamide?
The InChIKey is SFXNWIHGMORZHH-WOJGMQOQSA-N. The full InChI is InChI=1S/C25H19F5N4O2/c1-31-36-12-11-18(15-5-3-2-4-6-15)16-7-10-21-32-23(33-24(35)25(28,29)30)22(34(21)14-16)19-13-17(26)8-9-20(19)27/h2-11,13-14,31H,12H2,1H3,(H,33,35)/b18-11+.
What are the key properties of N-[3-(2,5-difluorophenyl)-6-[(E)-3-(methylaminooxy)-1-phenylprop-1-enyl]imidazo[1,2-a]pyridin-2-yl]-2,2,2-trifluoroacetamide?
N-[3-(2,5-difluorophenyl)-6-[(E)-3-(methylaminooxy)-1-phenylprop-1-enyl]imidazo[1,2-a]pyridin-2-yl]-2,2,2-trifluoroacetamide has a molecular weight of 502.44 g/mol, XLogP of 5.36, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(2,5-difluorophenyl)-6-[(E)-3-(methylaminooxy)-1-phenylprop-1-enyl]imidazo[1,2-a]pyridin-2-yl]-2,2,2-trifluoroacetamide is sourced from PubChem (CID 18685794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).