(1E)-N-(6-benzoyl-3-naphthalen-2-ylimidazo[1,2-a]pyridin-2-yl)-1-(difluoromethoxy)methanimidoyl fluoride

C26H16F3N3O2 — CID 18685759

IUPAC(1E)-N-(6-benzoyl-3-naphthalen-2-ylimidazo[1,2-a]pyridin-2-yl)-1-(difluoromethoxy)methanimidoyl fluoride
SMILESO=C(c1ccccc1)c1ccc2nc(/N=C(/F)OC(F)F)c(-c3ccc4ccccc4c3)n2c1
InChIInChI=1S/C26H16F3N3O2/c27-25(28)34-26(29)31-24-22(19-11-10-16-6-4-5-9-18(16)14-19)32-15-20(12-13-21(32)30-24)23(33)17-7-2-1-3-8-17/h1-15,25H/b31-26-
InChIKeyBBVDEZZRGAECJZ-ZXPTYKNPSA-N
MW459.43 g/mol
LogP6.58
Rot. Bonds5

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

(1E)-N-(6-benzoyl-3-naphthalen-2-ylimidazo[1,2-a]pyridin-2-yl)-1-(difluoromethoxy)methanimidoyl fluoride (PubChem CID 18685759) has the molecular formula C26H16F3N3O2 and a molecular weight of 459.43 g/mol. Its IUPAC name is (1E)-N-(6-benzoyl-3-naphthalen-2-ylimidazo[1,2-a]pyridin-2-yl)-1-(difluoromethoxy)methanimidoyl fluoride.

Molecular Properties

Compound Name(1E)-N-(6-benzoyl-3-naphthalen-2-ylimidazo[1,2-a]pyridin-2-yl)-1-(difluoromethoxy)methanimidoyl fluoride
PubChem CID18685759
Molecular FormulaC26H16F3N3O2
Molecular Weight459.43 g/mol
Exact Mass459.12
IUPAC Name(1E)-N-(6-benzoyl-3-naphthalen-2-ylimidazo[1,2-a]pyridin-2-yl)-1-(difluoromethoxy)methanimidoyl fluoride
SMILESO=C(c1ccccc1)c1ccc2nc(/N=C(/F)OC(F)F)c(-c3ccc4ccccc4c3)n2c1
InChIInChI=1S/C26H16F3N3O2/c27-25(28)34-26(29)31-24-22(19-11-10-16-6-4-5-9-18(16)14-19)32-15-20(12-13-21(32)30-24)23(33)17-7-2-1-3-8-17/h1-15,25H/b31-26-
InChIKeyBBVDEZZRGAECJZ-ZXPTYKNPSA-N
XLogP6.58
TPSA55.96 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500459.43
LogP ≤ 56.58
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
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-[3-(trifluoromethoxy)phenyl]imidazo[1,2-a]pyridin-2-yl]-1-(difluoromethoxy)methanimidoyl fluoride
CID 18685765
(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
(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
[2-amino-3-(2,4,5-trifluorophenyl)imidazo[1,2-a]pyridin-6-yl]-phenylmethanone
CID 22626719
naphthalen-2-yl(phenyl)(113C)methanone
CID 101359138
[2-amino-3-(2,5-difluorophenyl)imidazo[1,2-a]pyridin-6-yl]-phenylmethanone
CID 22626644
anthracene;diphenylmethanone
CID 87408663

Frequently Asked Questions

What is the IUPAC name of (1E)-N-(6-benzoyl-3-naphthalen-2-ylimidazo[1,2-a]pyridin-2-yl)-1-(difluoromethoxy)methanimidoyl fluoride?
The IUPAC name of (1E)-N-(6-benzoyl-3-naphthalen-2-ylimidazo[1,2-a]pyridin-2-yl)-1-(difluoromethoxy)methanimidoyl fluoride (CID 18685759) is (1E)-N-(6-benzoyl-3-naphthalen-2-ylimidazo[1,2-a]pyridin-2-yl)-1-(difluoromethoxy)methanimidoyl fluoride.
What is the SMILES notation for (1E)-N-(6-benzoyl-3-naphthalen-2-ylimidazo[1,2-a]pyridin-2-yl)-1-(difluoromethoxy)methanimidoyl fluoride?
The canonical SMILES for (1E)-N-(6-benzoyl-3-naphthalen-2-ylimidazo[1,2-a]pyridin-2-yl)-1-(difluoromethoxy)methanimidoyl fluoride is O=C(c1ccccc1)c1ccc2nc(/N=C(/F)OC(F)F)c(-c3ccc4ccccc4c3)n2c1.
What is the InChIKey of (1E)-N-(6-benzoyl-3-naphthalen-2-ylimidazo[1,2-a]pyridin-2-yl)-1-(difluoromethoxy)methanimidoyl fluoride?
The InChIKey is BBVDEZZRGAECJZ-ZXPTYKNPSA-N. The full InChI is InChI=1S/C26H16F3N3O2/c27-25(28)34-26(29)31-24-22(19-11-10-16-6-4-5-9-18(16)14-19)32-15-20(12-13-21(32)30-24)23(33)17-7-2-1-3-8-17/h1-15,25H/b31-26-.
What are the key properties of (1E)-N-(6-benzoyl-3-naphthalen-2-ylimidazo[1,2-a]pyridin-2-yl)-1-(difluoromethoxy)methanimidoyl fluoride?
(1E)-N-(6-benzoyl-3-naphthalen-2-ylimidazo[1,2-a]pyridin-2-yl)-1-(difluoromethoxy)methanimidoyl fluoride has a molecular weight of 459.43 g/mol, XLogP of 6.58, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1E)-N-(6-benzoyl-3-naphthalen-2-ylimidazo[1,2-a]pyridin-2-yl)-1-(difluoromethoxy)methanimidoyl fluoride is sourced from PubChem (CID 18685759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).