N-[6-benzoyl-3-[4-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridin-2-yl]-1-(difluoromethoxy)methanimidoyl fluoride

C23H13F6N3O2 — CID 73456563

IUPACN-[6-benzoyl-3-[4-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridin-2-yl]-1-(difluoromethoxy)methanimidoyl fluoride
SMILESO=C(c1ccccc1)c1ccc2nc(N=C(F)OC(F)F)c(-c3ccc(C(F)(F)F)cc3)n2c1
InChIInChI=1S/C23H13F6N3O2/c24-21(25)34-22(26)31-20-18(13-6-9-16(10-7-13)23(27,28)29)32-12-15(8-11-17(32)30-20)19(33)14-4-2-1-3-5-14/h1-12,21H
InChIKeyGHRFRQMENXJMHL-UHFFFAOYSA-N
MW477.36 g/mol
LogP6.45
Rot. Bonds5

About N-[6-benzoyl-3-[4-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridin-2-yl]-1-(difluoromethoxy)methanimidoyl fluoride

N-[6-benzoyl-3-[4-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridin-2-yl]-1-(difluoromethoxy)methanimidoyl fluoride (PubChem CID 73456563) has the molecular formula C23H13F6N3O2 and a molecular weight of 477.36 g/mol. Its IUPAC name is N-[6-benzoyl-3-[4-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridin-2-yl]-1-(difluoromethoxy)methanimidoyl fluoride.

Molecular Properties

Compound NameN-[6-benzoyl-3-[4-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridin-2-yl]-1-(difluoromethoxy)methanimidoyl fluoride
PubChem CID73456563
Molecular FormulaC23H13F6N3O2
Molecular Weight477.36 g/mol
Exact Mass477.09
IUPAC NameN-[6-benzoyl-3-[4-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridin-2-yl]-1-(difluoromethoxy)methanimidoyl fluoride
SMILESO=C(c1ccccc1)c1ccc2nc(N=C(F)OC(F)F)c(-c3ccc(C(F)(F)F)cc3)n2c1
InChIInChI=1S/C23H13F6N3O2/c24-21(25)34-22(26)31-20-18(13-6-9-16(10-7-13)23(27,28)29)32-12-15(8-11-17(32)30-20)19(33)14-4-2-1-3-5-14/h1-12,21H
InChIKeyGHRFRQMENXJMHL-UHFFFAOYSA-N
XLogP6.45
TPSA55.96 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500477.36
LogP ≤ 56.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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-(4-chlorophenyl)imidazo[1,2-a]pyridin-2-yl]-1-(difluoromethoxy)methanimidoyl fluoride
CID 18685782
(1E)-N-(6-benzoyl-3-naphthalen-2-ylimidazo[1,2-a]pyridin-2-yl)-1-(difluoromethoxy)methanimidoyl fluoride
CID 18685759
(1E)-N-[6-benzoyl-3-(4-nitrophenyl)imidazo[1,2-a]pyridin-2-yl]-1-(difluoromethoxy)methanimidoyl fluoride
CID 18685771
N-[6-benzoyl-3-[2-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridin-2-yl]-1-(difluoromethoxy)methanimidoyl fluoride
CID 73456550
(1E)-N-[6-benzoyl-3-[3-(trifluoromethoxy)phenyl]imidazo[1,2-a]pyridin-2-yl]-1-(difluoromethoxy)methanimidoyl fluoride
CID 18685765
CID 161391832
CID 161391832
(2-amino-3-naphthalen-2-ylimidazo[1,2-a]pyridin-6-yl)-phenylmethanone
CID 22626702
[2-amino-3-(3,4-difluorophenyl)imidazo[1,2-a]pyridin-6-yl]-phenylmethanone
CID 22626654
[2-amino-3-(3,5-difluorophenyl)imidazo[1,2-a]pyridin-6-yl]-phenylmethanone
CID 22626660
benzhydryl 4-(trifluoromethyl)benzoate
CID 132819939
[2-amino-3-(2,4,5-trifluorophenyl)imidazo[1,2-a]pyridin-6-yl]-phenylmethanone
CID 22626719
N-[6-benzoyl-3-[2-fluoro-6-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridin-2-yl]-2,2,2-trifluoroacetamide;N-[6-benzoyl-3-(2,3,4,5,6-pentafluorophenyl)imidazo[1,2-a]pyridin-2-yl]-2,2,2-trifluoroacetamide
CID 22626737

Frequently Asked Questions

What is the IUPAC name of N-[6-benzoyl-3-[4-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridin-2-yl]-1-(difluoromethoxy)methanimidoyl fluoride?
The IUPAC name of N-[6-benzoyl-3-[4-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridin-2-yl]-1-(difluoromethoxy)methanimidoyl fluoride (CID 73456563) is N-[6-benzoyl-3-[4-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridin-2-yl]-1-(difluoromethoxy)methanimidoyl fluoride.
What is the SMILES notation for N-[6-benzoyl-3-[4-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridin-2-yl]-1-(difluoromethoxy)methanimidoyl fluoride?
The canonical SMILES for N-[6-benzoyl-3-[4-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridin-2-yl]-1-(difluoromethoxy)methanimidoyl fluoride is O=C(c1ccccc1)c1ccc2nc(N=C(F)OC(F)F)c(-c3ccc(C(F)(F)F)cc3)n2c1.
What is the InChIKey of N-[6-benzoyl-3-[4-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridin-2-yl]-1-(difluoromethoxy)methanimidoyl fluoride?
The InChIKey is GHRFRQMENXJMHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H13F6N3O2/c24-21(25)34-22(26)31-20-18(13-6-9-16(10-7-13)23(27,28)29)32-12-15(8-11-17(32)30-20)19(33)14-4-2-1-3-5-14/h1-12,21H.
What are the key properties of N-[6-benzoyl-3-[4-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridin-2-yl]-1-(difluoromethoxy)methanimidoyl fluoride?
N-[6-benzoyl-3-[4-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridin-2-yl]-1-(difluoromethoxy)methanimidoyl fluoride has a molecular weight of 477.36 g/mol, XLogP of 6.45, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-benzoyl-3-[4-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridin-2-yl]-1-(difluoromethoxy)methanimidoyl fluoride is sourced from PubChem (CID 73456563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).