(1E)-N-[6-benzoyl-3-[3-(trifluoromethoxy)phenyl]imidazo[1,2-a]pyridin-2-yl]-1-(difluoromethoxy)methanimidoyl fluoride

C23H13F6N3O3 — CID 18685765

IUPAC(1E)-N-[6-benzoyl-3-[3-(trifluoromethoxy)phenyl]imidazo[1,2-a]pyridin-2-yl]-1-(difluoromethoxy)methanimidoyl fluoride
SMILESO=C(c1ccccc1)c1ccc2nc(/N=C(/F)OC(F)F)c(-c3cccc(OC(F)(F)F)c3)n2c1
InChIInChI=1S/C23H13F6N3O3/c24-21(25)34-22(26)31-20-18(14-7-4-8-16(11-14)35-23(27,28)29)32-12-15(9-10-17(32)30-20)19(33)13-5-2-1-3-6-13/h1-12,21H/b31-22-
InChIKeyJIXUDHOENWSCIC-VAMRJTSQSA-N
MW493.36 g/mol
LogP6.33
Rot. Bonds6

About (1E)-N-[6-benzoyl-3-[3-(trifluoromethoxy)phenyl]imidazo[1,2-a]pyridin-2-yl]-1-(difluoromethoxy)methanimidoyl fluoride

(1E)-N-[6-benzoyl-3-[3-(trifluoromethoxy)phenyl]imidazo[1,2-a]pyridin-2-yl]-1-(difluoromethoxy)methanimidoyl fluoride (PubChem CID 18685765) has the molecular formula C23H13F6N3O3 and a molecular weight of 493.36 g/mol. Its IUPAC name is (1E)-N-[6-benzoyl-3-[3-(trifluoromethoxy)phenyl]imidazo[1,2-a]pyridin-2-yl]-1-(difluoromethoxy)methanimidoyl fluoride.

Molecular Properties

Compound Name(1E)-N-[6-benzoyl-3-[3-(trifluoromethoxy)phenyl]imidazo[1,2-a]pyridin-2-yl]-1-(difluoromethoxy)methanimidoyl fluoride
PubChem CID18685765
Molecular FormulaC23H13F6N3O3
Molecular Weight493.36 g/mol
Exact Mass493.09
IUPAC Name(1E)-N-[6-benzoyl-3-[3-(trifluoromethoxy)phenyl]imidazo[1,2-a]pyridin-2-yl]-1-(difluoromethoxy)methanimidoyl fluoride
SMILESO=C(c1ccccc1)c1ccc2nc(/N=C(/F)OC(F)F)c(-c3cccc(OC(F)(F)F)c3)n2c1
InChIInChI=1S/C23H13F6N3O3/c24-21(25)34-22(26)31-20-18(14-7-4-8-16(11-14)35-23(27,28)29)32-12-15(9-10-17(32)30-20)19(33)13-5-2-1-3-6-13/h1-12,21H/b31-22-
InChIKeyJIXUDHOENWSCIC-VAMRJTSQSA-N
XLogP6.33
TPSA65.19 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500493.36
LogP ≤ 56.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

(1E)-N-(6-benzoyl-3-naphthalen-2-ylimidazo[1,2-a]pyridin-2-yl)-1-(difluoromethoxy)methanimidoyl fluoride
CID 18685759
N-[6-benzoyl-3-[4-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridin-2-yl]-1-(difluoromethoxy)methanimidoyl fluoride
CID 73456563
(1E)-N-[6-benzoyl-3-(4-nitrophenyl)imidazo[1,2-a]pyridin-2-yl]-1-(difluoromethoxy)methanimidoyl fluoride
CID 18685771
[2-amino-3-(3,4-difluorophenyl)imidazo[1,2-a]pyridin-6-yl]-phenylmethanone
CID 22626654
N-[[2-amino-3-[4-(trifluoromethoxy)phenyl]imidazo[1,2-a]pyridin-6-yl]-phenylmethylidene]hydroxylamine
CID 72586350
2-cyclopropyl-N-[6-fluoro-3-[3-(trifluoromethoxy)phenyl]imidazo[1,2-a]pyridin-2-yl]acetamide
CID 66991488
(4-aminophenyl)-[3-(trifluoromethoxy)phenyl]methanone
CID 116548826
3-fluoro-4-[3-(trifluoromethoxy)phenyl]benzoic acid
CID 53211302
1-phenyl-3-(trifluoromethoxy)benzene
CID 46315186
(4-ethylphenyl)-[3-(trifluoromethoxy)phenyl]methanone
CID 63411511
3-fluoro-2-[3-(trifluoromethoxy)phenyl]benzoic acid
CID 134631215
6-methyl-4-[3-(trifluoromethoxy)phenyl]pyridine-2-carboxylic acid
CID 69182893

Frequently Asked Questions

What is the IUPAC name of (1E)-N-[6-benzoyl-3-[3-(trifluoromethoxy)phenyl]imidazo[1,2-a]pyridin-2-yl]-1-(difluoromethoxy)methanimidoyl fluoride?
The IUPAC name of (1E)-N-[6-benzoyl-3-[3-(trifluoromethoxy)phenyl]imidazo[1,2-a]pyridin-2-yl]-1-(difluoromethoxy)methanimidoyl fluoride (CID 18685765) is (1E)-N-[6-benzoyl-3-[3-(trifluoromethoxy)phenyl]imidazo[1,2-a]pyridin-2-yl]-1-(difluoromethoxy)methanimidoyl fluoride.
What is the SMILES notation for (1E)-N-[6-benzoyl-3-[3-(trifluoromethoxy)phenyl]imidazo[1,2-a]pyridin-2-yl]-1-(difluoromethoxy)methanimidoyl fluoride?
The canonical SMILES for (1E)-N-[6-benzoyl-3-[3-(trifluoromethoxy)phenyl]imidazo[1,2-a]pyridin-2-yl]-1-(difluoromethoxy)methanimidoyl fluoride is O=C(c1ccccc1)c1ccc2nc(/N=C(/F)OC(F)F)c(-c3cccc(OC(F)(F)F)c3)n2c1.
What is the InChIKey of (1E)-N-[6-benzoyl-3-[3-(trifluoromethoxy)phenyl]imidazo[1,2-a]pyridin-2-yl]-1-(difluoromethoxy)methanimidoyl fluoride?
The InChIKey is JIXUDHOENWSCIC-VAMRJTSQSA-N. The full InChI is InChI=1S/C23H13F6N3O3/c24-21(25)34-22(26)31-20-18(14-7-4-8-16(11-14)35-23(27,28)29)32-12-15(9-10-17(32)30-20)19(33)13-5-2-1-3-6-13/h1-12,21H/b31-22-.
What are the key properties of (1E)-N-[6-benzoyl-3-[3-(trifluoromethoxy)phenyl]imidazo[1,2-a]pyridin-2-yl]-1-(difluoromethoxy)methanimidoyl fluoride?
(1E)-N-[6-benzoyl-3-[3-(trifluoromethoxy)phenyl]imidazo[1,2-a]pyridin-2-yl]-1-(difluoromethoxy)methanimidoyl fluoride has a molecular weight of 493.36 g/mol, XLogP of 6.33, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (1E)-N-[6-benzoyl-3-[3-(trifluoromethoxy)phenyl]imidazo[1,2-a]pyridin-2-yl]-1-(difluoromethoxy)methanimidoyl fluoride is sourced from PubChem (CID 18685765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).