1-[3-(difluoromethyl)-4-fluorophenyl]-3-imidazo[1,2-a]pyridin-5-ylpropan-2-one

C17H13F3N2O — CID 146695987

IUPAC1-[3-(difluoromethyl)-4-fluorophenyl]-3-imidazo[1,2-a]pyridin-5-ylpropan-2-one
SMILESO=C(Cc1ccc(F)c(C(F)F)c1)Cc1cccc2nccn12
InChIInChI=1S/C17H13F3N2O/c18-15-5-4-11(9-14(15)17(19)20)8-13(23)10-12-2-1-3-16-21-6-7-22(12)16/h1-7,9,17H,8,10H2
InChIKeyQOTBGYYFLRHARD-UHFFFAOYSA-N
MW318.30 g/mol
LogP3.77
Rot. Bonds5

About 1-[3-(difluoromethyl)-4-fluorophenyl]-3-imidazo[1,2-a]pyridin-5-ylpropan-2-one

1-[3-(difluoromethyl)-4-fluorophenyl]-3-imidazo[1,2-a]pyridin-5-ylpropan-2-one (PubChem CID 146695987) has the molecular formula C17H13F3N2O and a molecular weight of 318.30 g/mol. Its IUPAC name is 1-[3-(difluoromethyl)-4-fluorophenyl]-3-imidazo[1,2-a]pyridin-5-ylpropan-2-one.

Molecular Properties

Compound Name1-[3-(difluoromethyl)-4-fluorophenyl]-3-imidazo[1,2-a]pyridin-5-ylpropan-2-one
PubChem CID146695987
Molecular FormulaC17H13F3N2O
Molecular Weight318.30 g/mol
Exact Mass318.10
IUPAC Name1-[3-(difluoromethyl)-4-fluorophenyl]-3-imidazo[1,2-a]pyridin-5-ylpropan-2-one
SMILESO=C(Cc1ccc(F)c(C(F)F)c1)Cc1cccc2nccn12
InChIInChI=1S/C17H13F3N2O/c18-15-5-4-11(9-14(15)17(19)20)8-13(23)10-12-2-1-3-16-21-6-7-22(12)16/h1-7,9,17H,8,10H2
InChIKeyQOTBGYYFLRHARD-UHFFFAOYSA-N
XLogP3.77
TPSA34.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.30
LogP ≤ 53.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-imidazo[1,2-a]pyridin-5-yl-3-[4-(trifluoromethyl)phenyl]propan-2-one
CID 147033663
1-(4-tert-butylphenyl)-3-imidazo[1,2-a]pyridin-5-ylpropan-2-one
CID 158015272
N-(4-chloro-3-fluorophenyl)-2-imidazo[1,2-a]pyridin-5-ylacetamide
CID 125473452
5-(bromomethyl)imidazo[1,2-a]pyridine;hydrobromide
CID 121232171
imidazo[1,2-a]pyridin-5-ylmethanethiol
CID 89093379
2-imidazo[1,2-a]pyridin-5-yl-N-(5-methylpyrazin-2-yl)acetamide
CID 125473713
2-imidazo[1,2-a]pyridin-5-yl-N-(2-methylpyrazol-3-yl)acetamide
CID 125473491
4-fluoro-3-imidazo[1,2-a]pyridin-5-ylbenzoic acid
CID 107957590
2-[5-(3-bromo-2-oxopropyl)-2-fluorophenyl]-2-hydroxyacetic acid
CID 135741037
1-(5-bromo-2-fluorophenyl)-3-(3-bromophenyl)propan-2-one
CID 63409310
1-bromo-3-[3-(difluoromethyl)phenyl]propan-2-one
CID 134616468
1-(4-chlorophenyl)-3-(3-fluorophenyl)propan-2-one
CID 39362692

Frequently Asked Questions

What is the IUPAC name of 1-[3-(difluoromethyl)-4-fluorophenyl]-3-imidazo[1,2-a]pyridin-5-ylpropan-2-one?
The IUPAC name of 1-[3-(difluoromethyl)-4-fluorophenyl]-3-imidazo[1,2-a]pyridin-5-ylpropan-2-one (CID 146695987) is 1-[3-(difluoromethyl)-4-fluorophenyl]-3-imidazo[1,2-a]pyridin-5-ylpropan-2-one.
What is the SMILES notation for 1-[3-(difluoromethyl)-4-fluorophenyl]-3-imidazo[1,2-a]pyridin-5-ylpropan-2-one?
The canonical SMILES for 1-[3-(difluoromethyl)-4-fluorophenyl]-3-imidazo[1,2-a]pyridin-5-ylpropan-2-one is O=C(Cc1ccc(F)c(C(F)F)c1)Cc1cccc2nccn12.
What is the InChIKey of 1-[3-(difluoromethyl)-4-fluorophenyl]-3-imidazo[1,2-a]pyridin-5-ylpropan-2-one?
The InChIKey is QOTBGYYFLRHARD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13F3N2O/c18-15-5-4-11(9-14(15)17(19)20)8-13(23)10-12-2-1-3-16-21-6-7-22(12)16/h1-7,9,17H,8,10H2.
What are the key properties of 1-[3-(difluoromethyl)-4-fluorophenyl]-3-imidazo[1,2-a]pyridin-5-ylpropan-2-one?
1-[3-(difluoromethyl)-4-fluorophenyl]-3-imidazo[1,2-a]pyridin-5-ylpropan-2-one has a molecular weight of 318.30 g/mol, XLogP of 3.77, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(difluoromethyl)-4-fluorophenyl]-3-imidazo[1,2-a]pyridin-5-ylpropan-2-one is sourced from PubChem (CID 146695987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).