N-(6-bromo-2-ethylimidazo[1,2-a]pyridin-3-yl)-3-(4-fluorophenyl)-N-methyl-1,2,4-oxadiazol-5-amine

C18H15BrFN5O — CID 90446513

IUPACN-(6-bromo-2-ethylimidazo[1,2-a]pyridin-3-yl)-3-(4-fluorophenyl)-N-methyl-1,2,4-oxadiazol-5-amine
SMILESCCc1nc2ccc(Br)cn2c1N(C)c1nc(-c2ccc(F)cc2)no1
InChIInChI=1S/C18H15BrFN5O/c1-3-14-17(25-10-12(19)6-9-15(25)21-14)24(2)18-22-16(23-26-18)11-4-7-13(20)8-5-11/h4-10H,3H2,1-2H3
InChIKeyKJQIXZGVQWIMSN-UHFFFAOYSA-N
MW416.25 g/mol
LogP4.62
Rot. Bonds4

About N-(6-bromo-2-ethylimidazo[1,2-a]pyridin-3-yl)-3-(4-fluorophenyl)-N-methyl-1,2,4-oxadiazol-5-amine

N-(6-bromo-2-ethylimidazo[1,2-a]pyridin-3-yl)-3-(4-fluorophenyl)-N-methyl-1,2,4-oxadiazol-5-amine (PubChem CID 90446513) has the molecular formula C18H15BrFN5O and a molecular weight of 416.25 g/mol. Its IUPAC name is N-(6-bromo-2-ethylimidazo[1,2-a]pyridin-3-yl)-3-(4-fluorophenyl)-N-methyl-1,2,4-oxadiazol-5-amine.

Molecular Properties

Compound NameN-(6-bromo-2-ethylimidazo[1,2-a]pyridin-3-yl)-3-(4-fluorophenyl)-N-methyl-1,2,4-oxadiazol-5-amine
PubChem CID90446513
Molecular FormulaC18H15BrFN5O
Molecular Weight416.25 g/mol
Exact Mass415.04
IUPAC NameN-(6-bromo-2-ethylimidazo[1,2-a]pyridin-3-yl)-3-(4-fluorophenyl)-N-methyl-1,2,4-oxadiazol-5-amine
SMILESCCc1nc2ccc(Br)cn2c1N(C)c1nc(-c2ccc(F)cc2)no1
InChIInChI=1S/C18H15BrFN5O/c1-3-14-17(25-10-12(19)6-9-15(25)21-14)24(2)18-22-16(23-26-18)11-4-7-13(20)8-5-11/h4-10H,3H2,1-2H3
InChIKeyKJQIXZGVQWIMSN-UHFFFAOYSA-N
XLogP4.62
TPSA59.46 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.25
LogP ≤ 54.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

N-(6-bromo-2-ethylimidazo[1,2-a]pyridin-3-yl)-4-(6-fluoro-3-pyridinyl)-N-methyl-1,3-thiazol-2-amine
CID 130283662
N-(2-ethyl-6-iodoimidazo[1,2-a]pyridin-3-yl)-4-(4-fluorophenyl)-N-methyl-1,3-thiazol-2-amine
CID 90446713
N-(2-ethyl-6-pentan-2-ylimidazo[1,2-a]pyridin-3-yl)-4-(4-fluorophenyl)-N-methyl-1,3-thiazol-2-amine
CID 123821766
7-bromo-2-ethyl-3-methoxypyrido[1,2-a]pyrimidin-4-one
CID 144979672
N-[6-(1,1-dioxo-1,4-thiazinan-4-yl)-2-ethylimidazo[1,2-a]pyridin-3-yl]-4-(4-fluorophenyl)-N-methyl-1,3-thiazol-2-amine
CID 90446897
(6-bromo-2-ethylimidazo[1,2-a]pyridin-3-yl)methanamine
CID 90420783
2-[(6-bromo-2-ethylimidazo[1,2-a]pyridin-3-yl)-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile;2-[[2-ethyl-6-(2-piperazin-1-ylpyrimidin-5-yl)imidazo[1,2-a]pyridin-3-yl]-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile;2-piperidin-1-yl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrimidine
CID 165110498
2-[4-[2-ethyl-3-[[4-(4-fluorophenyl)-5-(hydroxymethyl)-1,3-thiazol-2-yl]-methylamino]imidazo[1,2-a]pyridin-6-yl]piperidin-1-yl]-N-methylacetamide
CID 130283266
4-[2-ethyl-3-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-methylamino]imidazo[1,2-a]pyridin-6-yl]piperazine-1-carboxylic acid
CID 130273086
2-[[2-ethyl-6-(1-methylsulfonylpiperidin-4-yl)imidazo[1,2-a]pyridin-3-yl]-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile
CID 90421105
1-[4-[2-ethyl-3-[[3-(4-fluorophenyl)-1,2,4-thiadiazol-5-yl]-methylamino]imidazo[1,2-a]pyridin-6-yl]piperidin-1-yl]-3-(methylamino)propan-1-one
CID 130283570
2-[(2-ethylimidazo[1,2-a]pyrazin-3-yl)-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile
CID 126690062

Frequently Asked Questions

What is the IUPAC name of N-(6-bromo-2-ethylimidazo[1,2-a]pyridin-3-yl)-3-(4-fluorophenyl)-N-methyl-1,2,4-oxadiazol-5-amine?
The IUPAC name of N-(6-bromo-2-ethylimidazo[1,2-a]pyridin-3-yl)-3-(4-fluorophenyl)-N-methyl-1,2,4-oxadiazol-5-amine (CID 90446513) is N-(6-bromo-2-ethylimidazo[1,2-a]pyridin-3-yl)-3-(4-fluorophenyl)-N-methyl-1,2,4-oxadiazol-5-amine.
What is the SMILES notation for N-(6-bromo-2-ethylimidazo[1,2-a]pyridin-3-yl)-3-(4-fluorophenyl)-N-methyl-1,2,4-oxadiazol-5-amine?
The canonical SMILES for N-(6-bromo-2-ethylimidazo[1,2-a]pyridin-3-yl)-3-(4-fluorophenyl)-N-methyl-1,2,4-oxadiazol-5-amine is CCc1nc2ccc(Br)cn2c1N(C)c1nc(-c2ccc(F)cc2)no1.
What is the InChIKey of N-(6-bromo-2-ethylimidazo[1,2-a]pyridin-3-yl)-3-(4-fluorophenyl)-N-methyl-1,2,4-oxadiazol-5-amine?
The InChIKey is KJQIXZGVQWIMSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15BrFN5O/c1-3-14-17(25-10-12(19)6-9-15(25)21-14)24(2)18-22-16(23-26-18)11-4-7-13(20)8-5-11/h4-10H,3H2,1-2H3.
What are the key properties of N-(6-bromo-2-ethylimidazo[1,2-a]pyridin-3-yl)-3-(4-fluorophenyl)-N-methyl-1,2,4-oxadiazol-5-amine?
N-(6-bromo-2-ethylimidazo[1,2-a]pyridin-3-yl)-3-(4-fluorophenyl)-N-methyl-1,2,4-oxadiazol-5-amine has a molecular weight of 416.25 g/mol, XLogP of 4.62, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-bromo-2-ethylimidazo[1,2-a]pyridin-3-yl)-3-(4-fluorophenyl)-N-methyl-1,2,4-oxadiazol-5-amine is sourced from PubChem (CID 90446513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).