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

C19H14F5IN4O2 — CID 73456580

IUPACN-[6-[1-(2,3-difluorophenyl)-3-(methylaminooxy)prop-1-enyl]-3-iodoimidazo[1,2-a]pyridin-2-yl]-2,2,2-trifluoroacetamide
SMILESCNOCC=C(c1ccc2nc(NC(=O)C(F)(F)F)c(I)n2c1)c1cccc(F)c1F
InChIInChI=1S/C19H14F5IN4O2/c1-26-31-8-7-11(12-3-2-4-13(20)15(12)21)10-5-6-14-27-17(16(25)29(14)9-10)28-18(30)19(22,23)24/h2-7,9,26H,8H2,1H3,(H,28,30)
InChIKeyHIPDOIUVAPWKGX-UHFFFAOYSA-N
MW552.24 g/mol
LogP4.30
Rot. Bonds6

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

N-[6-[1-(2,3-difluorophenyl)-3-(methylaminooxy)prop-1-enyl]-3-iodoimidazo[1,2-a]pyridin-2-yl]-2,2,2-trifluoroacetamide (PubChem CID 73456580) has the molecular formula C19H14F5IN4O2 and a molecular weight of 552.24 g/mol. Its IUPAC name is N-[6-[1-(2,3-difluorophenyl)-3-(methylaminooxy)prop-1-enyl]-3-iodoimidazo[1,2-a]pyridin-2-yl]-2,2,2-trifluoroacetamide.

Molecular Properties

Compound NameN-[6-[1-(2,3-difluorophenyl)-3-(methylaminooxy)prop-1-enyl]-3-iodoimidazo[1,2-a]pyridin-2-yl]-2,2,2-trifluoroacetamide
PubChem CID73456580
Molecular FormulaC19H14F5IN4O2
Molecular Weight552.24 g/mol
Exact Mass552.01
IUPAC NameN-[6-[1-(2,3-difluorophenyl)-3-(methylaminooxy)prop-1-enyl]-3-iodoimidazo[1,2-a]pyridin-2-yl]-2,2,2-trifluoroacetamide
SMILESCNOCC=C(c1ccc2nc(NC(=O)C(F)(F)F)c(I)n2c1)c1cccc(F)c1F
InChIInChI=1S/C19H14F5IN4O2/c1-26-31-8-7-11(12-3-2-4-13(20)15(12)21)10-5-6-14-27-17(16(25)29(14)9-10)28-18(30)19(22,23)24/h2-7,9,26H,8H2,1H3,(H,28,30)
InChIKeyHIPDOIUVAPWKGX-UHFFFAOYSA-N
XLogP4.30
TPSA67.66 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500552.24
LogP ≤ 54.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'iodine', '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]-3-iodoimidazo[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]-3-iodoimidazo[1,2-a]pyridin-2-yl]-2,2,2-trifluoroacetamide (CID 73456580) is N-[6-[1-(2,3-difluorophenyl)-3-(methylaminooxy)prop-1-enyl]-3-iodoimidazo[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]-3-iodoimidazo[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]-3-iodoimidazo[1,2-a]pyridin-2-yl]-2,2,2-trifluoroacetamide is CNOCC=C(c1ccc2nc(NC(=O)C(F)(F)F)c(I)n2c1)c1cccc(F)c1F.
What is the InChIKey of N-[6-[1-(2,3-difluorophenyl)-3-(methylaminooxy)prop-1-enyl]-3-iodoimidazo[1,2-a]pyridin-2-yl]-2,2,2-trifluoroacetamide?
The InChIKey is HIPDOIUVAPWKGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14F5IN4O2/c1-26-31-8-7-11(12-3-2-4-13(20)15(12)21)10-5-6-14-27-17(16(25)29(14)9-10)28-18(30)19(22,23)24/h2-7,9,26H,8H2,1H3,(H,28,30).
What are the key properties of N-[6-[1-(2,3-difluorophenyl)-3-(methylaminooxy)prop-1-enyl]-3-iodoimidazo[1,2-a]pyridin-2-yl]-2,2,2-trifluoroacetamide?
N-[6-[1-(2,3-difluorophenyl)-3-(methylaminooxy)prop-1-enyl]-3-iodoimidazo[1,2-a]pyridin-2-yl]-2,2,2-trifluoroacetamide has a molecular weight of 552.24 g/mol, XLogP of 4.30, 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]-3-iodoimidazo[1,2-a]pyridin-2-yl]-2,2,2-trifluoroacetamide is sourced from PubChem (CID 73456580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).