N-[3-fluoro-4-(trifluoromethyl)phenyl]-6-(2-methylbenzimidazol-1-yl)pyrazin-2-amine;N-[3-fluoro-4-(trifluoromethyl)phenyl]-6-[2-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrazin-2-amine;2-[4-(trifluoromethyl)anilino]-6-[2-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyridine-4-carbonitrile;6-[2-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]-N-[4-(trifluoromethylsulfanyl)phenyl]pyrazin-2-amine;2,2,2-trifluoro-1-[4-[[6-[2-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrazin-2-yl]amino]phenyl]ethanone

C98H56F29N25OS — CID 157256064

IUPACN-[3-fluoro-4-(trifluoromethyl)phenyl]-6-(2-methylbenzimidazol-1-yl)pyrazin-2-amine;N-[3-fluoro-4-(trifluoromethyl)phenyl]-6-[2-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrazin-2-amine;2-[4-(trifluoromethyl)anilino]-6-[2-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyridine-4-carbonitrile;6-[2-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]-N-[4-(trifluoromethylsulfanyl)phenyl]pyrazin-2-amine;2,2,2-trifluoro-1-[4-[[6-[2-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrazin-2-yl]amino]phenyl]ethanone
SMILESCc1nc2ccccc2n1-c1cncc(Nc2ccc(C(F)(F)F)c(F)c2)n1.FC(F)(F)Sc1ccc(Nc2cncc(-c3c(C(F)(F)F)nc4ccccn34)n2)cc1.Fc1cc(Nc2cncc(-c3c(C(F)(F)F)nc4ccccn34)n2)ccc1C(F)(F)F.N#Cc1cc(Nc2ccc(C(F)(F)F)cc2)nc(-c2c(C(F)(F)F)nc3ccccn23)c1.O=C(c1ccc(Nc2cncc(-c3c(C(F)(F)F)nc4ccccn34)n2)cc1)C(F)(F)F
InChIInChI=1S/C21H11F6N5.C20H11F6N5O.C19H10F7N5.C19H11F6N5S.C19H13F4N5/c22-20(23,24)13-4-6-14(7-5-13)29-16-10-12(11-28)9-15(30-16)18-19(21(25,26)27)31-17-3-1-2-8-32(17)18;21-19(22,23)17-16(31-8-2-1-3-15(31)30-17)13-9-27-10-14(29-13)28-12-6-4-11(5-7-12)18(32)20(24,25)26;20-12-7-10(4-5-11(12)18(21,22)23)28-14-9-27-8-13(29-14)16-17(19(24,25)26)30-15-3-1-2-6-31(15)16;20-18(21,22)17-16(30-8-2-1-3-15(30)29-17)13-9-26-10-14(28-13)27-11-4-6-12(7-5-11)31-19(23,24)25;1-11-25-15-4-2-3-5-16(15)28(11)18-10-24-9-17(27-18)26-12-6-7-13(14(20)8-12)19(21,22)23/h1-10H,(H,29,30);1-10H,(H,28,29);1-9H,(H,28,29);1-10H,(H,27,28);2-10H,1H3,(H,26,27)
InChIKeyAWXFWEMPALHRIL-UHFFFAOYSA-N
MW2182.71 g/mol
LogP28.25
Rot. Bonds17

About N-[3-fluoro-4-(trifluoromethyl)phenyl]-6-(2-methylbenzimidazol-1-yl)pyrazin-2-amine;N-[3-fluoro-4-(trifluoromethyl)phenyl]-6-[2-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrazin-2-amine;2-[4-(trifluoromethyl)anilino]-6-[2-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyridine-4-carbonitrile;6-[2-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]-N-[4-(trifluoromethylsulfanyl)phenyl]pyrazin-2-amine;2,2,2-trifluoro-1-[4-[[6-[2-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrazin-2-yl]amino]phenyl]ethanone

N-[3-fluoro-4-(trifluoromethyl)phenyl]-6-(2-methylbenzimidazol-1-yl)pyrazin-2-amine;N-[3-fluoro-4-(trifluoromethyl)phenyl]-6-[2-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrazin-2-amine;2-[4-(trifluoromethyl)anilino]-6-[2-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyridine-4-carbonitrile;6-[2-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]-N-[4-(trifluoromethylsulfanyl)phenyl]pyrazin-2-amine;2,2,2-trifluoro-1-[4-[[6-[2-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrazin-2-yl]amino]phenyl]ethanone (PubChem CID 157256064) has the molecular formula C98H56F29N25OS and a molecular weight of 2182.71 g/mol. Its IUPAC name is N-[3-fluoro-4-(trifluoromethyl)phenyl]-6-(2-methylbenzimidazol-1-yl)pyrazin-2-amine;N-[3-fluoro-4-(trifluoromethyl)phenyl]-6-[2-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrazin-2-amine;2-[4-(trifluoromethyl)anilino]-6-[2-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyridine-4-carbonitrile;6-[2-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]-N-[4-(trifluoromethylsulfanyl)phenyl]pyrazin-2-amine;2,2,2-trifluoro-1-[4-[[6-[2-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrazin-2-yl]amino]phenyl]ethanone.

Molecular Properties

Compound NameN-[3-fluoro-4-(trifluoromethyl)phenyl]-6-(2-methylbenzimidazol-1-yl)pyrazin-2-amine;N-[3-fluoro-4-(trifluoromethyl)phenyl]-6-[2-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrazin-2-amine;2-[4-(trifluoromethyl)anilino]-6-[2-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyridine-4-carbonitrile;6-[2-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]-N-[4-(trifluoromethylsulfanyl)phenyl]pyrazin-2-amine;2,2,2-trifluoro-1-[4-[[6-[2-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrazin-2-yl]amino]phenyl]ethanone
PubChem CID157256064
Molecular FormulaC98H56F29N25OS
Molecular Weight2182.71 g/mol
Exact Mass2181.44
IUPAC NameN-[3-fluoro-4-(trifluoromethyl)phenyl]-6-(2-methylbenzimidazol-1-yl)pyrazin-2-amine;N-[3-fluoro-4-(trifluoromethyl)phenyl]-6-[2-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrazin-2-amine;2-[4-(trifluoromethyl)anilino]-6-[2-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyridine-4-carbonitrile;6-[2-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]-N-[4-(trifluoromethylsulfanyl)phenyl]pyrazin-2-amine;2,2,2-trifluoro-1-[4-[[6-[2-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrazin-2-yl]amino]phenyl]ethanone
SMILESCc1nc2ccccc2n1-c1cncc(Nc2ccc(C(F)(F)F)c(F)c2)n1.FC(F)(F)Sc1ccc(Nc2cncc(-c3c(C(F)(F)F)nc4ccccn34)n2)cc1.Fc1cc(Nc2cncc(-c3c(C(F)(F)F)nc4ccccn34)n2)ccc1C(F)(F)F.N#Cc1cc(Nc2ccc(C(F)(F)F)cc2)nc(-c2c(C(F)(F)F)nc3ccccn23)c1.O=C(c1ccc(Nc2cncc(-c3c(C(F)(F)F)nc4ccccn34)n2)cc1)C(F)(F)F
InChIInChI=1S/C21H11F6N5.C20H11F6N5O.C19H10F7N5.C19H11F6N5S.C19H13F4N5/c22-20(23,24)13-4-6-14(7-5-13)29-16-10-12(11-28)9-15(30-16)18-19(21(25,26)27)31-17-3-1-2-8-32(17)18;21-19(22,23)17-16(31-8-2-1-3-15(31)30-17)13-9-27-10-14(29-13)28-12-6-4-11(5-7-12)18(32)20(24,25)26;20-12-7-10(4-5-11(12)18(21,22)23)28-14-9-27-8-13(29-14)16-17(19(24,25)26)30-15-3-1-2-6-31(15)16;20-18(21,22)17-16(30-8-2-1-3-15(30)29-17)13-9-26-10-14(28-13)27-11-4-6-12(7-5-11)31-19(23,24)25;1-11-25-15-4-2-3-5-16(15)28(11)18-10-24-9-17(27-18)26-12-6-7-13(14(20)8-12)19(21,22)23/h1-10H,(H,29,30);1-10H,(H,28,29);1-9H,(H,28,29);1-10H,(H,27,28);2-10H,1H3,(H,26,27)
InChIKeyAWXFWEMPALHRIL-UHFFFAOYSA-N
XLogP28.25
TPSA304.04 Ų
H-Bond Donors5
H-Bond Acceptors27
Rotatable Bonds17
Heavy Atoms154
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002182.71
LogP ≤ 528.25
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1027

Analyze N-[3-fluoro-4-(trifluoromethyl)phenyl]-6-(2-methylbenzimidazol-1-yl)pyrazin-2-amine;N-[3-fluoro-4-(trifluoromethyl)phenyl]-6-[2-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrazin-2-amine;2-[4-(trifluoromethyl)anilino]-6-[2-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyridine-4-carbonitrile;6-[2-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]-N-[4-(trifluoromethylsulfanyl)phenyl]pyrazin-2-amine;2,2,2-trifluoro-1-[4-[[6-[2-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrazin-2-yl]amino]phenyl]ethanone with MolForge

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Related Compounds

5-[3-(4-cyano-2-pyridinyl)imidazo[1,5-a]pyridin-8-yl]-N-(4-methylphenyl)-2-(trifluoromethyl)benzamide;5-[3-(1-methylimidazol-4-yl)imidazo[1,5-a]pyridin-8-yl]-N-(4-methylphenyl)-2-(trifluoromethyl)benzamide;2-methyl-5-[3-(1-methylimidazol-4-yl)imidazo[1,5-a]pyridin-8-yl]-N-(4-methylphenyl)benzamide;N-(4-methylphenyl)-5-[3-(3-methyltriazol-4-yl)imidazo[1,5-a]pyridin-8-yl]-2-(trifluoromethyl)benzamide
CID 157212945
6-(2-cyclobutyl-6-fluorobenzimidazol-1-yl)-N-[4-(trifluoromethyl)phenyl]pyrazin-2-amine;2-[2-(difluoromethyl)benzimidazol-1-yl]-6-[4-(trifluoromethyl)anilino]pyridine-4-carbonitrile;6-[2-(difluoromethyl)benzimidazol-1-yl]-N-[4-(trifluoromethyl)phenyl]pyrazin-2-amine;2-[4-(trifluoromethyl)anilino]-6-(2,6,8-trimethylimidazo[1,2-a]pyrazin-3-yl)pyridine-4-carbonitrile;N-[4-(trifluoromethyl)phenyl]-6-(2,6,8-trimethylimidazo[1,2-a]pyrazin-3-yl)pyrazin-2-amine
CID 157489235
5-[3-(2,3-difluorophenyl)imidazo[1,5-a]pyridin-8-yl]-2-methyl-N-(4-methylphenyl)pyridine-3-carboxamide;5-[3-(2,5-difluorophenyl)imidazo[1,5-a]pyridin-8-yl]-2-methyl-N-(4-methylphenyl)pyridine-3-carboxamide;5-[3-(2,3-difluorophenyl)imidazo[1,5-a]pyridin-8-yl]-N-(4-methylphenyl)-2-(trifluoromethyl)pyridine-3-carboxamide;5-[3-(2-fluorophenyl)imidazo[1,5-a]pyridin-8-yl]-2-methyl-N-(4-methylphenyl)pyridine-3-carboxamide
CID 159008543
6-(2-cyclobutyl-6-fluorobenzimidazol-1-yl)-N-[4-(trifluoromethyl)phenyl]pyrazin-2-amine;2-[2-(difluoromethyl)benzimidazol-1-yl]-6-[4-(trifluoromethyl)anilino]pyridine-4-carbonitrile;6-[2-(difluoromethyl)-6-fluorobenzimidazol-1-yl]-N-[4-(trifluoromethyl)phenyl]pyrazin-2-amine;2-[4-(trifluoromethyl)anilino]-6-(2,6,8-trimethylimidazo[1,2-a]pyrazin-3-yl)pyridine-4-carbonitrile;N-[4-(trifluoromethyl)phenyl]-6-(2,6,8-trimethylimidazo[1,2-a]pyrazin-3-yl)pyrazin-2-amine
CID 159072528
N-[3-fluoro-4-(trifluoromethyl)phenyl]-6-(2-methylimidazo[1,2-a]pyridin-3-yl)pyrazin-2-amine;N-[3-fluoro-4-(trifluoromethyl)phenyl]-6-[2-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrazin-2-amine;2-[4-(trifluoromethyl)anilino]-6-[2-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyridine-4-carbonitrile;6-[2-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]-N-[4-(trifluoromethylsulfanyl)phenyl]pyrazin-2-amine;2,2,2-trifluoro-1-[4-[[6-[2-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrazin-2-yl]amino]phenyl]ethanone
CID 160485848
1-(6-Amino-3-pyridinyl)-2-[3-[4-[4-(dimethylamino)piperidin-1-yl]-5-methylpyrrolo[3,2-d]pyrimidin-2-yl]phenyl]ethanone;1-(6-amino-3-pyridinyl)-2-[3-(5-methyl-4-piperidin-1-ylpyrrolo[3,2-d]pyrimidin-2-yl)phenyl]ethanone;2-[3-(5-methyl-4-piperidin-1-ylpyrrolo[3,2-d]pyrimidin-2-yl)phenyl]-1-[3-(trifluoromethyl)phenyl]ethanone;2-[3-(5-methyl-4-pyrrolidin-1-ylpyrrolo[3,2-d]pyrimidin-2-yl)phenyl]-1-[3-(trifluoromethyl)phenyl]ethanone
CID 160805762
5-[3-(2,3-difluorophenyl)imidazo[1,5-a]pyridin-8-yl]-2-methyl-N-(4-methylphenyl)pyridine-3-carboxamide;5-[3-(2,5-difluorophenyl)imidazo[1,5-a]pyridin-8-yl]-2-methyl-N-(4-methylphenyl)pyridine-3-carboxamide;5-[3-(2,3-difluorophenyl)imidazo[1,5-a]pyridin-8-yl]-N-(4-methylphenyl)-2-(trifluoromethyl)pyridine-3-carboxamide;5-[3-(2-fluorophenyl)imidazo[1,5-a]pyridin-8-yl]-2-methyl-N-(4-methylphenyl)pyridine-3-carboxamide;methane
CID 160948800
N-(2-aminophenyl)-4-[[4-[7-[[2-methoxyethyl(methyl)amino]methyl]imidazo[1,2-a]pyridin-3-yl]-1,3-thiazol-2-yl]amino]benzamide;N-(2-aminophenyl)-4-[[4-[8-[[2-methoxyethyl(methyl)amino]methyl]imidazo[1,2-a]pyridin-3-yl]-1,3-thiazol-2-yl]amino]benzamide;N-(2-aminophenyl)-4-[[4-[5-[(2,2,2-trifluoroethylamino)methyl]imidazo[1,2-a]pyridin-3-yl]-1,3-thiazol-2-yl]amino]benzamide;N-(2-aminophenyl)-4-[[4-[6-[(2,2,2-trifluoroethylamino)methyl]imidazo[1,2-a]pyridin-3-yl]-1,3-thiazol-2-yl]amino]benzamide;N-(2-aminophenyl)-4-[[4-[8-[(2,2,2-trifluoroethylamino)methyl]imidazo[1,2-a]pyridin-3-yl]-1,3-thiazol-2-yl]amino]benzamide
CID 161264607
N-(2-aminophenyl)-4-[[5-[5-(imidazol-1-ylmethyl)imidazo[1,2-a]pyridin-3-yl]-1,3-thiazol-2-yl]amino]benzamide;N-(2-aminophenyl)-4-[[5-[6-(imidazol-1-ylmethyl)imidazo[1,2-a]pyridin-3-yl]-1,3-thiazol-2-yl]amino]benzamide;N-(2-aminophenyl)-4-[[5-[8-(imidazol-1-ylmethyl)imidazo[1,2-a]pyridin-3-yl]-1,3-thiazol-2-yl]amino]benzamide;N-(2-aminophenyl)-4-[[5-[6-[(2,2,2-trifluoroethylamino)methyl]imidazo[1,2-a]pyridin-3-yl]-1,3-thiazol-2-yl]amino]benzamide;N-(2-aminophenyl)-4-[[5-[7-[(2,2,2-trifluoroethylamino)methyl]imidazo[1,2-a]pyridin-3-yl]-1,3-thiazol-2-yl]amino]benzamide;N-(2-aminophenyl)-4-[[5-[8-[(2,2,2-trifluoroethylamino)methyl]imidazo[1,2-a]pyridin-3-yl]-1,3-thiazol-2-yl]amino]benzamide
CID 162125362
1-[1-[(1R,3S)-3-[2-[5-(1,1-difluoroethyl)thiophen-2-yl]-2-oxoethyl]cyclohexyl]-2-pyridin-2-ylbenzimidazol-5-yl]propan-1-one;1-[1-[(1R,3S)-3-[2-(5-ethynylthiophen-2-yl)-2-oxoethyl]cyclohexyl]-2-pyridin-2-ylbenzimidazol-5-yl]propan-1-one;1-[1-[(1R,3S)-3-[2-(4-methylphenyl)-2-oxoethyl]cyclohexyl]-2-pyridin-2-ylbenzimidazol-5-yl]propan-1-one;1-[1-[(1R,3S)-3-[2-oxo-2-(5-phenylthiophen-2-yl)ethyl]cyclohexyl]-2-pyridin-2-ylbenzimidazol-5-yl]propan-1-one;1-[1-[(1R,3S)-3-phenacylcyclohexyl]-2-pyridin-2-ylbenzimidazol-5-yl]propan-1-one
CID 167607848
1-[1-[(1R,3S)-3-[2-[5-(1,1-difluoroethyl)thiophen-2-yl]-2-oxoethyl]cyclohexyl]-2-pyridin-2-ylbenzimidazol-5-yl]propan-1-one;1-[1-[(1R,3S)-3-[2-(5-ethynylthiophen-2-yl)-2-oxoethyl]cyclohexyl]-2-pyridin-2-ylbenzimidazol-5-yl]propan-1-one;1-[1-[(1R,3S)-3-[2-(3-methylphenyl)-2-oxoethyl]cyclohexyl]-2-pyridin-2-ylbenzimidazol-5-yl]propan-1-one;1-[1-[(1R,3S)-3-[2-(4-methylphenyl)-2-oxoethyl]cyclohexyl]-2-pyridin-2-ylbenzimidazol-5-yl]propan-1-one;1-[1-[(1R,3S)-3-[2-oxo-2-(5-phenylthiophen-2-yl)ethyl]cyclohexyl]-2-pyridin-2-ylbenzimidazol-5-yl]propan-1-one;1-[1-[(1R,3S)-3-phenacylcyclohexyl]-2-pyridin-2-ylbenzimidazol-5-yl]propan-1-one
CID 167608506
1-[1-[(1R,3S)-3-[2-[5-(1,1-difluoroethyl)thiophen-2-yl]-2-oxoethyl]cyclohexyl]-2-pyridin-2-ylbenzimidazol-5-yl]propan-1-one;1-[1-[(1R,3S)-3-[2-(3-methylphenyl)-2-oxoethyl]cyclohexyl]-2-pyridin-2-ylbenzimidazol-5-yl]propan-1-one;1-[1-[(1R,3S)-3-[2-(4-methylphenyl)-2-oxoethyl]cyclohexyl]-2-pyridin-2-ylbenzimidazol-5-yl]propan-1-one;1-[1-[(1R,3S)-3-phenacylcyclohexyl]-2-pyridin-2-ylbenzimidazol-5-yl]propan-1-one
CID 167693185

Frequently Asked Questions

What is the IUPAC name of N-[3-fluoro-4-(trifluoromethyl)phenyl]-6-(2-methylbenzimidazol-1-yl)pyrazin-2-amine;N-[3-fluoro-4-(trifluoromethyl)phenyl]-6-[2-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrazin-2-amine;2-[4-(trifluoromethyl)anilino]-6-[2-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyridine-4-carbonitrile;6-[2-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]-N-[4-(trifluoromethylsulfanyl)phenyl]pyrazin-2-amine;2,2,2-trifluoro-1-[4-[[6-[2-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrazin-2-yl]amino]phenyl]ethanone?
The IUPAC name of N-[3-fluoro-4-(trifluoromethyl)phenyl]-6-(2-methylbenzimidazol-1-yl)pyrazin-2-amine;N-[3-fluoro-4-(trifluoromethyl)phenyl]-6-[2-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrazin-2-amine;2-[4-(trifluoromethyl)anilino]-6-[2-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyridine-4-carbonitrile;6-[2-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]-N-[4-(trifluoromethylsulfanyl)phenyl]pyrazin-2-amine;2,2,2-trifluoro-1-[4-[[6-[2-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrazin-2-yl]amino]phenyl]ethanone (CID 157256064) is N-[3-fluoro-4-(trifluoromethyl)phenyl]-6-(2-methylbenzimidazol-1-yl)pyrazin-2-amine;N-[3-fluoro-4-(trifluoromethyl)phenyl]-6-[2-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrazin-2-amine;2-[4-(trifluoromethyl)anilino]-6-[2-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyridine-4-carbonitrile;6-[2-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]-N-[4-(trifluoromethylsulfanyl)phenyl]pyrazin-2-amine;2,2,2-trifluoro-1-[4-[[6-[2-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrazin-2-yl]amino]phenyl]ethanone.
What is the SMILES notation for N-[3-fluoro-4-(trifluoromethyl)phenyl]-6-(2-methylbenzimidazol-1-yl)pyrazin-2-amine;N-[3-fluoro-4-(trifluoromethyl)phenyl]-6-[2-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrazin-2-amine;2-[4-(trifluoromethyl)anilino]-6-[2-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyridine-4-carbonitrile;6-[2-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]-N-[4-(trifluoromethylsulfanyl)phenyl]pyrazin-2-amine;2,2,2-trifluoro-1-[4-[[6-[2-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrazin-2-yl]amino]phenyl]ethanone?
The canonical SMILES for N-[3-fluoro-4-(trifluoromethyl)phenyl]-6-(2-methylbenzimidazol-1-yl)pyrazin-2-amine;N-[3-fluoro-4-(trifluoromethyl)phenyl]-6-[2-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrazin-2-amine;2-[4-(trifluoromethyl)anilino]-6-[2-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyridine-4-carbonitrile;6-[2-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]-N-[4-(trifluoromethylsulfanyl)phenyl]pyrazin-2-amine;2,2,2-trifluoro-1-[4-[[6-[2-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrazin-2-yl]amino]phenyl]ethanone is Cc1nc2ccccc2n1-c1cncc(Nc2ccc(C(F)(F)F)c(F)c2)n1.FC(F)(F)Sc1ccc(Nc2cncc(-c3c(C(F)(F)F)nc4ccccn34)n2)cc1.Fc1cc(Nc2cncc(-c3c(C(F)(F)F)nc4ccccn34)n2)ccc1C(F)(F)F.N#Cc1cc(Nc2ccc(C(F)(F)F)cc2)nc(-c2c(C(F)(F)F)nc3ccccn23)c1.O=C(c1ccc(Nc2cncc(-c3c(C(F)(F)F)nc4ccccn34)n2)cc1)C(F)(F)F.
What is the InChIKey of N-[3-fluoro-4-(trifluoromethyl)phenyl]-6-(2-methylbenzimidazol-1-yl)pyrazin-2-amine;N-[3-fluoro-4-(trifluoromethyl)phenyl]-6-[2-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrazin-2-amine;2-[4-(trifluoromethyl)anilino]-6-[2-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyridine-4-carbonitrile;6-[2-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]-N-[4-(trifluoromethylsulfanyl)phenyl]pyrazin-2-amine;2,2,2-trifluoro-1-[4-[[6-[2-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrazin-2-yl]amino]phenyl]ethanone?
The InChIKey is AWXFWEMPALHRIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H11F6N5.C20H11F6N5O.C19H10F7N5.C19H11F6N5S.C19H13F4N5/c22-20(23,24)13-4-6-14(7-5-13)29-16-10-12(11-28)9-15(30-16)18-19(21(25,26)27)31-17-3-1-2-8-32(17)18;21-19(22,23)17-16(31-8-2-1-3-15(31)30-17)13-9-27-10-14(29-13)28-12-6-4-11(5-7-12)18(32)20(24,25)26;20-12-7-10(4-5-11(12)18(21,22)23)28-14-9-27-8-13(29-14)16-17(19(24,25)26)30-15-3-1-2-6-31(15)16;20-18(21,22)17-16(30-8-2-1-3-15(30)29-17)13-9-26-10-14(28-13)27-11-4-6-12(7-5-11)31-19(23,24)25;1-11-25-15-4-2-3-5-16(15)28(11)18-10-24-9-17(27-18)26-12-6-7-13(14(20)8-12)19(21,22)23/h1-10H,(H,29,30);1-10H,(H,28,29);1-9H,(H,28,29);1-10H,(H,27,28);2-10H,1H3,(H,26,27).
What are the key properties of N-[3-fluoro-4-(trifluoromethyl)phenyl]-6-(2-methylbenzimidazol-1-yl)pyrazin-2-amine;N-[3-fluoro-4-(trifluoromethyl)phenyl]-6-[2-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrazin-2-amine;2-[4-(trifluoromethyl)anilino]-6-[2-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyridine-4-carbonitrile;6-[2-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]-N-[4-(trifluoromethylsulfanyl)phenyl]pyrazin-2-amine;2,2,2-trifluoro-1-[4-[[6-[2-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrazin-2-yl]amino]phenyl]ethanone?
N-[3-fluoro-4-(trifluoromethyl)phenyl]-6-(2-methylbenzimidazol-1-yl)pyrazin-2-amine;N-[3-fluoro-4-(trifluoromethyl)phenyl]-6-[2-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrazin-2-amine;2-[4-(trifluoromethyl)anilino]-6-[2-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyridine-4-carbonitrile;6-[2-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]-N-[4-(trifluoromethylsulfanyl)phenyl]pyrazin-2-amine;2,2,2-trifluoro-1-[4-[[6-[2-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrazin-2-yl]amino]phenyl]ethanone has a molecular weight of 2182.71 g/mol, XLogP of 28.25, 17 rotatable bonds, 5 hydrogen bond donors, and 27 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-fluoro-4-(trifluoromethyl)phenyl]-6-(2-methylbenzimidazol-1-yl)pyrazin-2-amine;N-[3-fluoro-4-(trifluoromethyl)phenyl]-6-[2-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrazin-2-amine;2-[4-(trifluoromethyl)anilino]-6-[2-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyridine-4-carbonitrile;6-[2-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]-N-[4-(trifluoromethylsulfanyl)phenyl]pyrazin-2-amine;2,2,2-trifluoro-1-[4-[[6-[2-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrazin-2-yl]amino]phenyl]ethanone is sourced from PubChem (CID 157256064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).