2-(2,5-difluorophenyl)pyrrolidine;4-[6-[2-(2,5-difluorophenyl)pyrrolidin-1-yl]imidazo[1,2-a]pyridin-3-yl]-2-ethoxy-1,3-thiazole;3-(2-ethoxy-1,3-thiazol-4-yl)-N-(3-methylbutyl)imidazo[1,2-a]pyridin-6-amine;2-fluoro-4-[2-[(Z)-3-methylbut-1-enyl]-1H-imidazol-5-yl]benzonitrile

C64H67F5N12O2S2 — CID 143894782

IUPAC2-(2,5-difluorophenyl)pyrrolidine;4-[6-[2-(2,5-difluorophenyl)pyrrolidin-1-yl]imidazo[1,2-a]pyridin-3-yl]-2-ethoxy-1,3-thiazole;3-(2-ethoxy-1,3-thiazol-4-yl)-N-(3-methylbutyl)imidazo[1,2-a]pyridin-6-amine;2-fluoro-4-[2-[(Z)-3-methylbut-1-enyl]-1H-imidazol-5-yl]benzonitrile
SMILESCC(C)/C=C\c1ncc(-c2ccc(C#N)c(F)c2)[nH]1.CCOc1nc(-c2cnc3ccc(N4CCCC4c4cc(F)ccc4F)cn23)cs1.CCOc1nc(-c2cnc3ccc(NCCC(C)C)cn23)cs1.Fc1ccc(F)c(C2CCCN2)c1
InChIInChI=1S/C22H20F2N4OS.C17H22N4OS.C15H14FN3.C10H11F2N/c1-2-29-22-26-18(13-30-22)20-11-25-21-8-6-15(12-28(20)21)27-9-3-4-19(27)16-10-14(23)5-7-17(16)24;1-4-22-17-20-14(11-23-17)15-9-19-16-6-5-13(10-21(15)16)18-8-7-12(2)3;1-10(2)3-6-15-18-9-14(19-15)11-4-5-12(8-17)13(16)7-11;11-7-3-4-9(12)8(6-7)10-2-1-5-13-10/h5-8,10-13,19H,2-4,9H2,1H3;5-6,9-12,18H,4,7-8H2,1-3H3;3-7,9-10H,1-2H3,(H,18,19);3-4,6,10,13H,1-2,5H2/b;;6-3-;
InChIKeyOHCWOOFMGMARBL-PEOFNMOMSA-N
MW1195.45 g/mol
LogP15.94
Rot. Bonds16

About 2-(2,5-difluorophenyl)pyrrolidine;4-[6-[2-(2,5-difluorophenyl)pyrrolidin-1-yl]imidazo[1,2-a]pyridin-3-yl]-2-ethoxy-1,3-thiazole;3-(2-ethoxy-1,3-thiazol-4-yl)-N-(3-methylbutyl)imidazo[1,2-a]pyridin-6-amine;2-fluoro-4-[2-[(Z)-3-methylbut-1-enyl]-1H-imidazol-5-yl]benzonitrile

2-(2,5-difluorophenyl)pyrrolidine;4-[6-[2-(2,5-difluorophenyl)pyrrolidin-1-yl]imidazo[1,2-a]pyridin-3-yl]-2-ethoxy-1,3-thiazole;3-(2-ethoxy-1,3-thiazol-4-yl)-N-(3-methylbutyl)imidazo[1,2-a]pyridin-6-amine;2-fluoro-4-[2-[(Z)-3-methylbut-1-enyl]-1H-imidazol-5-yl]benzonitrile (PubChem CID 143894782) has the molecular formula C64H67F5N12O2S2 and a molecular weight of 1195.45 g/mol. Its IUPAC name is 2-(2,5-difluorophenyl)pyrrolidine;4-[6-[2-(2,5-difluorophenyl)pyrrolidin-1-yl]imidazo[1,2-a]pyridin-3-yl]-2-ethoxy-1,3-thiazole;3-(2-ethoxy-1,3-thiazol-4-yl)-N-(3-methylbutyl)imidazo[1,2-a]pyridin-6-amine;2-fluoro-4-[2-[(Z)-3-methylbut-1-enyl]-1H-imidazol-5-yl]benzonitrile.

Molecular Properties

Compound Name2-(2,5-difluorophenyl)pyrrolidine;4-[6-[2-(2,5-difluorophenyl)pyrrolidin-1-yl]imidazo[1,2-a]pyridin-3-yl]-2-ethoxy-1,3-thiazole;3-(2-ethoxy-1,3-thiazol-4-yl)-N-(3-methylbutyl)imidazo[1,2-a]pyridin-6-amine;2-fluoro-4-[2-[(Z)-3-methylbut-1-enyl]-1H-imidazol-5-yl]benzonitrile
PubChem CID143894782
Molecular FormulaC64H67F5N12O2S2
Molecular Weight1195.45 g/mol
Exact Mass1194.49
IUPAC Name2-(2,5-difluorophenyl)pyrrolidine;4-[6-[2-(2,5-difluorophenyl)pyrrolidin-1-yl]imidazo[1,2-a]pyridin-3-yl]-2-ethoxy-1,3-thiazole;3-(2-ethoxy-1,3-thiazol-4-yl)-N-(3-methylbutyl)imidazo[1,2-a]pyridin-6-amine;2-fluoro-4-[2-[(Z)-3-methylbut-1-enyl]-1H-imidazol-5-yl]benzonitrile
SMILESCC(C)/C=C\c1ncc(-c2ccc(C#N)c(F)c2)[nH]1.CCOc1nc(-c2cnc3ccc(N4CCCC4c4cc(F)ccc4F)cn23)cs1.CCOc1nc(-c2cnc3ccc(NCCC(C)C)cn23)cs1.Fc1ccc(F)c(C2CCCN2)c1
InChIInChI=1S/C22H20F2N4OS.C17H22N4OS.C15H14FN3.C10H11F2N/c1-2-29-22-26-18(13-30-22)20-11-25-21-8-6-15(12-28(20)21)27-9-3-4-19(27)16-10-14(23)5-7-17(16)24;1-4-22-17-20-14(11-23-17)15-9-19-16-6-5-13(10-21(15)16)18-8-7-12(2)3;1-10(2)3-6-15-18-9-14(19-15)11-4-5-12(8-17)13(16)7-11;11-7-3-4-9(12)8(6-7)10-2-1-5-13-10/h5-8,10-13,19H,2-4,9H2,1H3;5-6,9-12,18H,4,7-8H2,1-3H3;3-7,9-10H,1-2H3,(H,18,19);3-4,6,10,13H,1-2,5H2/b;;6-3-;
InChIKeyOHCWOOFMGMARBL-PEOFNMOMSA-N
XLogP15.94
TPSA158.61 Ų
H-Bond Donors3
H-Bond Acceptors15
Rotatable Bonds16
Heavy Atoms85
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001195.45
LogP ≤ 515.94
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1015

Analyze 2-(2,5-difluorophenyl)pyrrolidine;4-[6-[2-(2,5-difluorophenyl)pyrrolidin-1-yl]imidazo[1,2-a]pyridin-3-yl]-2-ethoxy-1,3-thiazole;3-(2-ethoxy-1,3-thiazol-4-yl)-N-(3-methylbutyl)imidazo[1,2-a]pyridin-6-amine;2-fluoro-4-[2-[(Z)-3-methylbut-1-enyl]-1H-imidazol-5-yl]benzonitrile with MolForge

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Related Compounds

US9670204, 226 N-(6-(4-((1H-imidazol-2-yl)methyl)piperazin-1-yl)-2-ethylimidazo[1,2-a]pyridin-3-yl)-4-(4-fluorophenyl)-N-methylthiazol-2-amine
CID 78427642
US9670204, 192 N-(6-(4-((1H-imidazol-5-yl)methyl)piperazin-1-yl)-2-ethylimidazo[1,2-a]pyridin-3-yl)-4-(4-fluorophenyl)-N-methylthiazol-2-amine
CID 90420651
2-[[2-ethyl-6-[4-[2-[(3R)-3-fluoropyrrolidin-1-yl]-2-oxoethyl]piperazin-1-yl]-1H-imidazo[1,2-a]pyridin-4-ium-3-yl]-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile
CID 164513393
N-[(2R)-butan-2-yl]-5-[8-[4-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridin-6-yl]-1,3-thiazol-2-amine;4-[6-[2-(1-ethoxypropan-2-ylamino)-1,3-thiazol-5-yl]imidazo[1,2-a]pyridin-8-yl]benzonitrile;N-(1-ethoxypropan-2-yl)-5-[8-[4-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridin-6-yl]-1,3-thiazol-2-amine;5-[8-(2-fluorophenyl)imidazo[1,2-a]pyridin-6-yl]-N-(2-morpholin-4-ylethyl)-1,3-thiazol-2-amine
CID 158129323
bis(2-methyl-4-[5-[4-(4-methylpiperazin-1-yl)cyclohexyl]-1H-pyrrolo[2,3-b]pyridin-3-yl]-1,3-thiazole);4-[4-[3-[2-(1-methylpiperidin-4-yl)-1,3-thiazol-4-yl]-1H-pyrrolo[2,3-b]pyridin-5-yl]cyclohexyl]morpholine;2-[5-(4-pyrrolidin-1-ylcyclohexyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-4-(trifluoromethyl)-1,3-thiazole;bis(4-[4-[3-(1,3-thiazol-2-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]cyclohexyl]morpholine)
CID 158963062
5-[8-[4-(aminomethyl)phenyl]imidazo[1,2-a]pyridin-6-yl]-N-(1-ethoxypropan-2-yl)-1,3-thiazol-2-amine;N-[(2R)-butan-2-yl]-5-[8-[4-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridin-6-yl]-1,3-thiazol-2-amine;N-(1-ethoxypropan-2-yl)-5-[8-[4-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridin-6-yl]-1,3-thiazol-2-amine
CID 161081937
4-[8-[(dimethylamino)methyl]imidazo[1,2-a]pyridin-3-yl]-N-[4-[1-(2,6-dimethylanilino)ethenyl]-2-fluorophenyl]-1,3-thiazol-2-amine;4-[5-[(dimethylamino)methyl]imidazo[1,2-a]pyridin-3-yl]-N-[2-fluoro-4-[1-(2-fluoro-6-methylanilino)ethenyl]phenyl]-1,3-thiazol-2-amine;ethane
CID 145540673
[2-[4-[2-ethyl-3-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-methylamino]imidazo[1,2-a]pyridin-6-yl]piperazin-1-yl]-4,5-dihydro-1,3-oxazol-5-yl]methanol;N-(2-ethyl-6-piperazin-1-ylimidazo[1,2-a]pyridin-3-yl)-4-(4-fluorophenyl)-N-methyl-1,3-thiazol-2-amine
CID 157203671
Tert-butyl 4-[2-(2-cyanoethyl)-3-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-methylamino]imidazo[1,2-a]pyridin-6-yl]piperidine-1-carboxylate;3-[3-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-methylamino]-6-piperidin-4-ylimidazo[1,2-a]pyridin-2-yl]propanenitrile
CID 157301113
N-[2-ethyl-6-(1-methylsulfonylpiperidin-4-yl)imidazo[1,2-a]pyridin-3-yl]-4-(4-fluorophenyl)-N-methyl-1,3-thiazol-2-amine;N-(2-ethyl-6-piperidin-4-ylimidazo[1,2-a]pyridin-3-yl)-4-(4-fluorophenyl)-N-methyl-1,3-thiazol-2-amine
CID 158328434
4-[2-ethyl-3-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-methylamino]imidazo[1,2-a]pyridin-6-yl]piperidine-1-sulfonamide;N-(2-ethyl-6-piperidin-4-ylimidazo[1,2-a]pyridin-3-yl)-4-(4-fluorophenyl)-N-methyl-1,3-thiazol-2-amine
CID 158366683
2-[(6-Bromo-2-ethyl-8-methylimidazo[1,2-a]pyridin-3-yl)-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile;2-[(2-ethyl-8-methyl-6-piperazin-1-ylimidazo[1,2-a]pyridin-3-yl)-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile
CID 158517214

Frequently Asked Questions

What is the IUPAC name of 2-(2,5-difluorophenyl)pyrrolidine;4-[6-[2-(2,5-difluorophenyl)pyrrolidin-1-yl]imidazo[1,2-a]pyridin-3-yl]-2-ethoxy-1,3-thiazole;3-(2-ethoxy-1,3-thiazol-4-yl)-N-(3-methylbutyl)imidazo[1,2-a]pyridin-6-amine;2-fluoro-4-[2-[(Z)-3-methylbut-1-enyl]-1H-imidazol-5-yl]benzonitrile?
The IUPAC name of 2-(2,5-difluorophenyl)pyrrolidine;4-[6-[2-(2,5-difluorophenyl)pyrrolidin-1-yl]imidazo[1,2-a]pyridin-3-yl]-2-ethoxy-1,3-thiazole;3-(2-ethoxy-1,3-thiazol-4-yl)-N-(3-methylbutyl)imidazo[1,2-a]pyridin-6-amine;2-fluoro-4-[2-[(Z)-3-methylbut-1-enyl]-1H-imidazol-5-yl]benzonitrile (CID 143894782) is 2-(2,5-difluorophenyl)pyrrolidine;4-[6-[2-(2,5-difluorophenyl)pyrrolidin-1-yl]imidazo[1,2-a]pyridin-3-yl]-2-ethoxy-1,3-thiazole;3-(2-ethoxy-1,3-thiazol-4-yl)-N-(3-methylbutyl)imidazo[1,2-a]pyridin-6-amine;2-fluoro-4-[2-[(Z)-3-methylbut-1-enyl]-1H-imidazol-5-yl]benzonitrile.
What is the SMILES notation for 2-(2,5-difluorophenyl)pyrrolidine;4-[6-[2-(2,5-difluorophenyl)pyrrolidin-1-yl]imidazo[1,2-a]pyridin-3-yl]-2-ethoxy-1,3-thiazole;3-(2-ethoxy-1,3-thiazol-4-yl)-N-(3-methylbutyl)imidazo[1,2-a]pyridin-6-amine;2-fluoro-4-[2-[(Z)-3-methylbut-1-enyl]-1H-imidazol-5-yl]benzonitrile?
The canonical SMILES for 2-(2,5-difluorophenyl)pyrrolidine;4-[6-[2-(2,5-difluorophenyl)pyrrolidin-1-yl]imidazo[1,2-a]pyridin-3-yl]-2-ethoxy-1,3-thiazole;3-(2-ethoxy-1,3-thiazol-4-yl)-N-(3-methylbutyl)imidazo[1,2-a]pyridin-6-amine;2-fluoro-4-[2-[(Z)-3-methylbut-1-enyl]-1H-imidazol-5-yl]benzonitrile is CC(C)/C=C\c1ncc(-c2ccc(C#N)c(F)c2)[nH]1.CCOc1nc(-c2cnc3ccc(N4CCCC4c4cc(F)ccc4F)cn23)cs1.CCOc1nc(-c2cnc3ccc(NCCC(C)C)cn23)cs1.Fc1ccc(F)c(C2CCCN2)c1.
What is the InChIKey of 2-(2,5-difluorophenyl)pyrrolidine;4-[6-[2-(2,5-difluorophenyl)pyrrolidin-1-yl]imidazo[1,2-a]pyridin-3-yl]-2-ethoxy-1,3-thiazole;3-(2-ethoxy-1,3-thiazol-4-yl)-N-(3-methylbutyl)imidazo[1,2-a]pyridin-6-amine;2-fluoro-4-[2-[(Z)-3-methylbut-1-enyl]-1H-imidazol-5-yl]benzonitrile?
The InChIKey is OHCWOOFMGMARBL-PEOFNMOMSA-N. The full InChI is InChI=1S/C22H20F2N4OS.C17H22N4OS.C15H14FN3.C10H11F2N/c1-2-29-22-26-18(13-30-22)20-11-25-21-8-6-15(12-28(20)21)27-9-3-4-19(27)16-10-14(23)5-7-17(16)24;1-4-22-17-20-14(11-23-17)15-9-19-16-6-5-13(10-21(15)16)18-8-7-12(2)3;1-10(2)3-6-15-18-9-14(19-15)11-4-5-12(8-17)13(16)7-11;11-7-3-4-9(12)8(6-7)10-2-1-5-13-10/h5-8,10-13,19H,2-4,9H2,1H3;5-6,9-12,18H,4,7-8H2,1-3H3;3-7,9-10H,1-2H3,(H,18,19);3-4,6,10,13H,1-2,5H2/b;;6-3-;.
What are the key properties of 2-(2,5-difluorophenyl)pyrrolidine;4-[6-[2-(2,5-difluorophenyl)pyrrolidin-1-yl]imidazo[1,2-a]pyridin-3-yl]-2-ethoxy-1,3-thiazole;3-(2-ethoxy-1,3-thiazol-4-yl)-N-(3-methylbutyl)imidazo[1,2-a]pyridin-6-amine;2-fluoro-4-[2-[(Z)-3-methylbut-1-enyl]-1H-imidazol-5-yl]benzonitrile?
2-(2,5-difluorophenyl)pyrrolidine;4-[6-[2-(2,5-difluorophenyl)pyrrolidin-1-yl]imidazo[1,2-a]pyridin-3-yl]-2-ethoxy-1,3-thiazole;3-(2-ethoxy-1,3-thiazol-4-yl)-N-(3-methylbutyl)imidazo[1,2-a]pyridin-6-amine;2-fluoro-4-[2-[(Z)-3-methylbut-1-enyl]-1H-imidazol-5-yl]benzonitrile has a molecular weight of 1195.45 g/mol, XLogP of 15.94, 16 rotatable bonds, 3 hydrogen bond donors, and 15 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,5-difluorophenyl)pyrrolidine;4-[6-[2-(2,5-difluorophenyl)pyrrolidin-1-yl]imidazo[1,2-a]pyridin-3-yl]-2-ethoxy-1,3-thiazole;3-(2-ethoxy-1,3-thiazol-4-yl)-N-(3-methylbutyl)imidazo[1,2-a]pyridin-6-amine;2-fluoro-4-[2-[(Z)-3-methylbut-1-enyl]-1H-imidazol-5-yl]benzonitrile is sourced from PubChem (CID 143894782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).