2-ethylthiophene;1-[6-(furan-3-yl)-3-[2-(methylamino)prop-2-enyl]-8-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]ethanone;methane

C25H28F3N3O2S — CID 143763042

IUPAC2-ethylthiophene;1-[6-(furan-3-yl)-3-[2-(methylamino)prop-2-enyl]-8-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]ethanone;methane
SMILESC.C=C(Cc1c(C(C)=O)nc2c(C(F)(F)F)cc(-c3ccoc3)cn12)NC.CCc1cccs1
InChIInChI=1S/C18H16F3N3O2.C6H8S.CH4/c1-10(22-3)6-15-16(11(2)25)23-17-14(18(19,20)21)7-13(8-24(15)17)12-4-5-26-9-12;1-2-6-4-3-5-7-6;/h4-5,7-9,22H,1,6H2,2-3H3;3-5H,2H2,1H3;1H4
InChIKeyTXDZJWIRJUAARA-UHFFFAOYSA-N
MW491.58 g/mol
LogP7.04
Rot. Bonds6

About 2-ethylthiophene;1-[6-(furan-3-yl)-3-[2-(methylamino)prop-2-enyl]-8-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]ethanone;methane

2-ethylthiophene;1-[6-(furan-3-yl)-3-[2-(methylamino)prop-2-enyl]-8-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]ethanone;methane (PubChem CID 143763042) has the molecular formula C25H28F3N3O2S and a molecular weight of 491.58 g/mol. Its IUPAC name is 2-ethylthiophene;1-[6-(furan-3-yl)-3-[2-(methylamino)prop-2-enyl]-8-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]ethanone;methane.

Molecular Properties

Compound Name2-ethylthiophene;1-[6-(furan-3-yl)-3-[2-(methylamino)prop-2-enyl]-8-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]ethanone;methane
PubChem CID143763042
Molecular FormulaC25H28F3N3O2S
Molecular Weight491.58 g/mol
Exact Mass491.19
IUPAC Name2-ethylthiophene;1-[6-(furan-3-yl)-3-[2-(methylamino)prop-2-enyl]-8-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]ethanone;methane
SMILESC.C=C(Cc1c(C(C)=O)nc2c(C(F)(F)F)cc(-c3ccoc3)cn12)NC.CCc1cccs1
InChIInChI=1S/C18H16F3N3O2.C6H8S.CH4/c1-10(22-3)6-15-16(11(2)25)23-17-14(18(19,20)21)7-13(8-24(15)17)12-4-5-26-9-12;1-2-6-4-3-5-7-6;/h4-5,7-9,22H,1,6H2,2-3H3;3-5H,2H2,1H3;1H4
InChIKeyTXDZJWIRJUAARA-UHFFFAOYSA-N
XLogP7.04
TPSA59.54 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500491.58
LogP ≤ 57.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-ethylthiophene;1-[6-(furan-3-yl)-3-[2-(methylamino)prop-2-enyl]-8-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]ethanone;methane with MolForge

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Related Compounds

N-(2-aminoethyl)-4-(furan-3-yl)-12-methyl-3-thia-1,7,10-triazatricyclo[7.3.0.0^{2,6}]dodeca-2(6),4,7,9,11-pentaen-8-amine
CID 25093428
[3-Chloro-6-(furan-3-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-(4-thiophen-2-ylpiperidin-1-yl)methanone
CID 57774658
[3-Chloro-6-(furan-3-yl)-8-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-(3-thiophen-2-ylpyrrolidin-1-yl)methanone
CID 57774667
5-(Furan-2-yl)-2-(imidazo[1,2-a]pyrimidin-2-ylmethylsulfanyl)-3-phenylthieno[2,3-d]pyrimidin-4-one
CID 2999163
3-[5-(Furan-3-yl)thiophen-2-yl]-7-(4-methylsulfonylphenyl)imidazo[1,2-a]pyridine
CID 164628907
6-(2-Furyl)-3-(3-thienyl)imidazo [1,2-a]pyrazine
CID 117769709
(2S)-1-N-[7-[4-(aminomethyl)furan-2-yl]-2-(3-fluoro-4-pyridinyl)thieno[3,2-d]pyrimidin-4-yl]-3-phenylpropane-1,2-diamine
CID 89596664
6-Bromo-2-(furan-2-yl)-8-methyl-3-(thiophen-3-ylmethyl)imidazo[1,2-a]pyridine
CID 51360041
6-Chloro-2-(furan-2-yl)-3-(thiophen-3-ylmethyl)imidazo[1,2-a]pyridine
CID 51361273
6-Bromo-2-(furan-2-yl)-3-(thiophen-3-ylmethyl)imidazo[1,2-a]pyridine
CID 51361283
1-[5-[4-[3-(Butylamino)imidazo[1,2-a]pyridin-2-yl]-2-methoxyphenyl]thiophen-3-yl]ethanone;2,2,2-trifluoroacetic acid
CID 53313035
4-(1-Methylimidazol-4-yl)-2-thieno[2,3-c]pyridin-3-ylfuro[2,3-c]pyridin-7-amine
CID 66760209

Frequently Asked Questions

What is the IUPAC name of 2-ethylthiophene;1-[6-(furan-3-yl)-3-[2-(methylamino)prop-2-enyl]-8-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]ethanone;methane?
The IUPAC name of 2-ethylthiophene;1-[6-(furan-3-yl)-3-[2-(methylamino)prop-2-enyl]-8-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]ethanone;methane (CID 143763042) is 2-ethylthiophene;1-[6-(furan-3-yl)-3-[2-(methylamino)prop-2-enyl]-8-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]ethanone;methane.
What is the SMILES notation for 2-ethylthiophene;1-[6-(furan-3-yl)-3-[2-(methylamino)prop-2-enyl]-8-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]ethanone;methane?
The canonical SMILES for 2-ethylthiophene;1-[6-(furan-3-yl)-3-[2-(methylamino)prop-2-enyl]-8-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]ethanone;methane is C.C=C(Cc1c(C(C)=O)nc2c(C(F)(F)F)cc(-c3ccoc3)cn12)NC.CCc1cccs1.
What is the InChIKey of 2-ethylthiophene;1-[6-(furan-3-yl)-3-[2-(methylamino)prop-2-enyl]-8-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]ethanone;methane?
The InChIKey is TXDZJWIRJUAARA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16F3N3O2.C6H8S.CH4/c1-10(22-3)6-15-16(11(2)25)23-17-14(18(19,20)21)7-13(8-24(15)17)12-4-5-26-9-12;1-2-6-4-3-5-7-6;/h4-5,7-9,22H,1,6H2,2-3H3;3-5H,2H2,1H3;1H4.
What are the key properties of 2-ethylthiophene;1-[6-(furan-3-yl)-3-[2-(methylamino)prop-2-enyl]-8-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]ethanone;methane?
2-ethylthiophene;1-[6-(furan-3-yl)-3-[2-(methylamino)prop-2-enyl]-8-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]ethanone;methane has a molecular weight of 491.58 g/mol, XLogP of 7.04, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethylthiophene;1-[6-(furan-3-yl)-3-[2-(methylamino)prop-2-enyl]-8-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]ethanone;methane is sourced from PubChem (CID 143763042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).