1-[4-(difluoromethoxy)phenyl]-3-imidazo[1,2-a]pyridin-5-ylprop-2-en-1-one

C17H12F2N2O2 — CID 71913083

IUPAC1-[4-(difluoromethoxy)phenyl]-3-imidazo[1,2-a]pyridin-5-ylprop-2-en-1-one
SMILESO=C(C=Cc1cccc2nccn12)c1ccc(OC(F)F)cc1
InChIInChI=1S/C17H12F2N2O2/c18-17(19)23-14-7-4-12(5-8-14)15(22)9-6-13-2-1-3-16-20-10-11-21(13)16/h1-11,17H
InChIKeyAGQBABZSMVOWEK-UHFFFAOYSA-N
MW314.29 g/mol
LogP3.83
Rot. Bonds5

About 1-[4-(difluoromethoxy)phenyl]-3-imidazo[1,2-a]pyridin-5-ylprop-2-en-1-one

1-[4-(difluoromethoxy)phenyl]-3-imidazo[1,2-a]pyridin-5-ylprop-2-en-1-one (PubChem CID 71913083) has the molecular formula C17H12F2N2O2 and a molecular weight of 314.29 g/mol. Its IUPAC name is 1-[4-(difluoromethoxy)phenyl]-3-imidazo[1,2-a]pyridin-5-ylprop-2-en-1-one.

Molecular Properties

Compound Name1-[4-(difluoromethoxy)phenyl]-3-imidazo[1,2-a]pyridin-5-ylprop-2-en-1-one
PubChem CID71913083
Molecular FormulaC17H12F2N2O2
Molecular Weight314.29 g/mol
Exact Mass314.09
IUPAC Name1-[4-(difluoromethoxy)phenyl]-3-imidazo[1,2-a]pyridin-5-ylprop-2-en-1-one
SMILESO=C(C=Cc1cccc2nccn12)c1ccc(OC(F)F)cc1
InChIInChI=1S/C17H12F2N2O2/c18-17(19)23-14-7-4-12(5-8-14)15(22)9-6-13-2-1-3-16-20-10-11-21(13)16/h1-11,17H
InChIKeyAGQBABZSMVOWEK-UHFFFAOYSA-N
XLogP3.83
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.29
LogP ≤ 53.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

1-[4-(difluoromethoxy)phenyl]-3-[3-[3-[4-(difluoromethoxy)phenyl]-3-oxoprop-1-enyl]phenyl]prop-2-en-1-one
CID 3929052
(E)-1-[4-(difluoromethoxy)phenyl]-3-pyridin-4-ylprop-2-en-1-one
CID 19542799
(E)-1-[4-(difluoromethoxy)phenyl]-3-pyridin-3-ylprop-2-en-1-one
CID 19542807
(E)-1-[4-(difluoromethoxy)phenyl]-3-(2-ethylpyrazol-3-yl)prop-2-en-1-one
CID 19542916
(E)-1-[4-(difluoromethoxy)phenyl]-3-(1-methylpyrazol-4-yl)prop-2-en-1-one
CID 6221662
methyl 4-[3-[4-(difluoromethoxy)phenyl]-3-oxoprop-1-enyl]benzoate
CID 4811100
3-(azepan-1-yl)-1-[4-(difluoromethoxy)phenyl]prop-2-en-1-one
CID 4775984
4-[3-[4-(difluoromethoxy)phenyl]-3-oxoprop-1-enyl]benzonitrile
CID 4020820
(E)-1-[4-(difluoromethoxy)phenyl]-3-(3-methylthiophen-2-yl)prop-2-en-1-one
CID 6313161
(E)-3-(4-chloro-1-ethylpyrazol-3-yl)-1-[4-(difluoromethoxy)phenyl]prop-2-en-1-one
CID 19542952
3-[4-(difluoromethoxy)phenyl]-1-(3,4-dimethoxyphenyl)prop-2-en-1-one
CID 3828585
(E)-3-[4-(difluoromethoxy)phenyl]-1-(3-methoxyphenyl)prop-2-en-1-one
CID 6210972

Frequently Asked Questions

What is the IUPAC name of 1-[4-(difluoromethoxy)phenyl]-3-imidazo[1,2-a]pyridin-5-ylprop-2-en-1-one?
The IUPAC name of 1-[4-(difluoromethoxy)phenyl]-3-imidazo[1,2-a]pyridin-5-ylprop-2-en-1-one (CID 71913083) is 1-[4-(difluoromethoxy)phenyl]-3-imidazo[1,2-a]pyridin-5-ylprop-2-en-1-one.
What is the SMILES notation for 1-[4-(difluoromethoxy)phenyl]-3-imidazo[1,2-a]pyridin-5-ylprop-2-en-1-one?
The canonical SMILES for 1-[4-(difluoromethoxy)phenyl]-3-imidazo[1,2-a]pyridin-5-ylprop-2-en-1-one is O=C(C=Cc1cccc2nccn12)c1ccc(OC(F)F)cc1.
What is the InChIKey of 1-[4-(difluoromethoxy)phenyl]-3-imidazo[1,2-a]pyridin-5-ylprop-2-en-1-one?
The InChIKey is AGQBABZSMVOWEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12F2N2O2/c18-17(19)23-14-7-4-12(5-8-14)15(22)9-6-13-2-1-3-16-20-10-11-21(13)16/h1-11,17H.
What are the key properties of 1-[4-(difluoromethoxy)phenyl]-3-imidazo[1,2-a]pyridin-5-ylprop-2-en-1-one?
1-[4-(difluoromethoxy)phenyl]-3-imidazo[1,2-a]pyridin-5-ylprop-2-en-1-one has a molecular weight of 314.29 g/mol, XLogP of 3.83, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(difluoromethoxy)phenyl]-3-imidazo[1,2-a]pyridin-5-ylprop-2-en-1-one is sourced from PubChem (CID 71913083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).