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

C19H15F5N4O2 — CID 73456579

IUPACN-[6-[1-(2,3-difluorophenyl)-3-(methylaminooxy)prop-1-enyl]imidazo[1,2-a]pyridin-2-yl]-2,2,2-trifluoroacetamide
SMILESCNOCC=C(c1ccc2nc(NC(=O)C(F)(F)F)cn2c1)c1cccc(F)c1F
InChIInChI=1S/C19H15F5N4O2/c1-25-30-8-7-12(13-3-2-4-14(20)17(13)21)11-5-6-16-26-15(10-28(16)9-11)27-18(29)19(22,23)24/h2-7,9-10,25H,8H2,1H3,(H,27,29)
InChIKeyKQHNOQVMJPWAAK-UHFFFAOYSA-N
MW426.35 g/mol
LogP3.70
Rot. Bonds6

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

N-[6-[1-(2,3-difluorophenyl)-3-(methylaminooxy)prop-1-enyl]imidazo[1,2-a]pyridin-2-yl]-2,2,2-trifluoroacetamide (PubChem CID 73456579) has the molecular formula C19H15F5N4O2 and a molecular weight of 426.35 g/mol. Its IUPAC name is N-[6-[1-(2,3-difluorophenyl)-3-(methylaminooxy)prop-1-enyl]imidazo[1,2-a]pyridin-2-yl]-2,2,2-trifluoroacetamide.

Molecular Properties

Compound NameN-[6-[1-(2,3-difluorophenyl)-3-(methylaminooxy)prop-1-enyl]imidazo[1,2-a]pyridin-2-yl]-2,2,2-trifluoroacetamide
PubChem CID73456579
Molecular FormulaC19H15F5N4O2
Molecular Weight426.35 g/mol
Exact Mass426.11
IUPAC NameN-[6-[1-(2,3-difluorophenyl)-3-(methylaminooxy)prop-1-enyl]imidazo[1,2-a]pyridin-2-yl]-2,2,2-trifluoroacetamide
SMILESCNOCC=C(c1ccc2nc(NC(=O)C(F)(F)F)cn2c1)c1cccc(F)c1F
InChIInChI=1S/C19H15F5N4O2/c1-25-30-8-7-12(13-3-2-4-14(20)17(13)21)11-5-6-16-26-15(10-28(16)9-11)27-18(29)19(22,23)24/h2-7,9-10,25H,8H2,1H3,(H,27,29)
InChIKeyKQHNOQVMJPWAAK-UHFFFAOYSA-N
XLogP3.70
TPSA67.66 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.35
LogP ≤ 53.70
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-[6-[1-(2,3-difluorophenyl)-3-(methylaminooxy)prop-1-enyl]imidazo[1,2-a]pyridin-2-yl]-2,2,2-trifluoroacetamide?
The IUPAC name of N-[6-[1-(2,3-difluorophenyl)-3-(methylaminooxy)prop-1-enyl]imidazo[1,2-a]pyridin-2-yl]-2,2,2-trifluoroacetamide (CID 73456579) is N-[6-[1-(2,3-difluorophenyl)-3-(methylaminooxy)prop-1-enyl]imidazo[1,2-a]pyridin-2-yl]-2,2,2-trifluoroacetamide.
What is the SMILES notation for N-[6-[1-(2,3-difluorophenyl)-3-(methylaminooxy)prop-1-enyl]imidazo[1,2-a]pyridin-2-yl]-2,2,2-trifluoroacetamide?
The canonical SMILES for N-[6-[1-(2,3-difluorophenyl)-3-(methylaminooxy)prop-1-enyl]imidazo[1,2-a]pyridin-2-yl]-2,2,2-trifluoroacetamide is CNOCC=C(c1ccc2nc(NC(=O)C(F)(F)F)cn2c1)c1cccc(F)c1F.
What is the InChIKey of N-[6-[1-(2,3-difluorophenyl)-3-(methylaminooxy)prop-1-enyl]imidazo[1,2-a]pyridin-2-yl]-2,2,2-trifluoroacetamide?
The InChIKey is KQHNOQVMJPWAAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15F5N4O2/c1-25-30-8-7-12(13-3-2-4-14(20)17(13)21)11-5-6-16-26-15(10-28(16)9-11)27-18(29)19(22,23)24/h2-7,9-10,25H,8H2,1H3,(H,27,29).
What are the key properties of N-[6-[1-(2,3-difluorophenyl)-3-(methylaminooxy)prop-1-enyl]imidazo[1,2-a]pyridin-2-yl]-2,2,2-trifluoroacetamide?
N-[6-[1-(2,3-difluorophenyl)-3-(methylaminooxy)prop-1-enyl]imidazo[1,2-a]pyridin-2-yl]-2,2,2-trifluoroacetamide has a molecular weight of 426.35 g/mol, XLogP of 3.70, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-[1-(2,3-difluorophenyl)-3-(methylaminooxy)prop-1-enyl]imidazo[1,2-a]pyridin-2-yl]-2,2,2-trifluoroacetamide is sourced from PubChem (CID 73456579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).