3-(1H-benzimidazol-2-yl)-5-(3-methylsulfonylphenyl)pyrazin-2-amine;3-(1H-benzimidazol-2-yl)-5-pyridin-3-ylpyrazin-2-amine;3-(3H-imidazo[4,5-c]pyridin-2-yl)-5-(4-methylsulfonylphenyl)pyrazin-2-amine;3-(4-methyl-1H-benzimidazol-2-yl)-5-(4-methylsulfonylphenyl)pyrazin-2-amine;5-(4-methylsulfonylphenyl)-3-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]pyrazin-2-amine;molecular hydrogen

C89H92F3N27O8S4 — CID 161495980

IUPAC3-(1H-benzimidazol-2-yl)-5-(3-methylsulfonylphenyl)pyrazin-2-amine;3-(1H-benzimidazol-2-yl)-5-pyridin-3-ylpyrazin-2-amine;3-(3H-imidazo[4,5-c]pyridin-2-yl)-5-(4-methylsulfonylphenyl)pyrazin-2-amine;3-(4-methyl-1H-benzimidazol-2-yl)-5-(4-methylsulfonylphenyl)pyrazin-2-amine;5-(4-methylsulfonylphenyl)-3-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]pyrazin-2-amine;molecular hydrogen
SMILESCS(=O)(=O)c1ccc(-c2cnc(N)c(-c3nc4ccc(C(F)(F)F)cc4[nH]3)n2)cc1.CS(=O)(=O)c1ccc(-c2cnc(N)c(-c3nc4ccncc4[nH]3)n2)cc1.CS(=O)(=O)c1cccc(-c2cnc(N)c(-c3nc4ccccc4[nH]3)n2)c1.Cc1cccc2[nH]c(-c3nc(-c4ccc(S(C)(=O)=O)cc4)cnc3N)nc12.Nc1ncc(-c2cccnc2)nc1-c1nc2ccccc2[nH]1.[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H]
InChIInChI=1S/C19H14F3N5O2S.C19H17N5O2S.C18H15N5O2S.C17H14N6O2S.C16H12N6.10H2/c1-30(28,29)12-5-2-10(3-6-12)15-9-24-17(23)16(25-15)18-26-13-7-4-11(19(20,21)22)8-14(13)27-18;1-11-4-3-5-14-16(11)24-19(23-14)17-18(20)21-10-15(22-17)12-6-8-13(9-7-12)27(2,25)26;1-26(24,25)12-6-4-5-11(9-12)15-10-20-17(19)16(21-15)18-22-13-7-2-3-8-14(13)23-18;1-26(24,25)11-4-2-10(3-5-11)13-9-20-16(18)15(21-13)17-22-12-6-7-19-8-14(12)23-17;17-15-14(16-21-11-5-1-2-6-12(11)22-16)20-13(9-19-15)10-4-3-7-18-8-10;;;;;;;;;;/h2-9H,1H3,(H2,23,24)(H,26,27);3-10H,1-2H3,(H2,20,21)(H,23,24);2-10H,1H3,(H2,19,20)(H,22,23);2-9H,1H3,(H2,18,20)(H,22,23);1-9H,(H2,17,19)(H,21,22);10*1H
InChIKeyWGEZNYGCBCJUTL-UHFFFAOYSA-N
MW1853.16 g/mol
LogP16.54
Rot. Bonds14

About 3-(1H-benzimidazol-2-yl)-5-(3-methylsulfonylphenyl)pyrazin-2-amine;3-(1H-benzimidazol-2-yl)-5-pyridin-3-ylpyrazin-2-amine;3-(3H-imidazo[4,5-c]pyridin-2-yl)-5-(4-methylsulfonylphenyl)pyrazin-2-amine;3-(4-methyl-1H-benzimidazol-2-yl)-5-(4-methylsulfonylphenyl)pyrazin-2-amine;5-(4-methylsulfonylphenyl)-3-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]pyrazin-2-amine;molecular hydrogen

3-(1H-benzimidazol-2-yl)-5-(3-methylsulfonylphenyl)pyrazin-2-amine;3-(1H-benzimidazol-2-yl)-5-pyridin-3-ylpyrazin-2-amine;3-(3H-imidazo[4,5-c]pyridin-2-yl)-5-(4-methylsulfonylphenyl)pyrazin-2-amine;3-(4-methyl-1H-benzimidazol-2-yl)-5-(4-methylsulfonylphenyl)pyrazin-2-amine;5-(4-methylsulfonylphenyl)-3-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]pyrazin-2-amine;molecular hydrogen (PubChem CID 161495980) has the molecular formula C89H92F3N27O8S4 and a molecular weight of 1853.16 g/mol. Its IUPAC name is 3-(1H-benzimidazol-2-yl)-5-(3-methylsulfonylphenyl)pyrazin-2-amine;3-(1H-benzimidazol-2-yl)-5-pyridin-3-ylpyrazin-2-amine;3-(3H-imidazo[4,5-c]pyridin-2-yl)-5-(4-methylsulfonylphenyl)pyrazin-2-amine;3-(4-methyl-1H-benzimidazol-2-yl)-5-(4-methylsulfonylphenyl)pyrazin-2-amine;5-(4-methylsulfonylphenyl)-3-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]pyrazin-2-amine;molecular hydrogen.

Molecular Properties

Compound Name3-(1H-benzimidazol-2-yl)-5-(3-methylsulfonylphenyl)pyrazin-2-amine;3-(1H-benzimidazol-2-yl)-5-pyridin-3-ylpyrazin-2-amine;3-(3H-imidazo[4,5-c]pyridin-2-yl)-5-(4-methylsulfonylphenyl)pyrazin-2-amine;3-(4-methyl-1H-benzimidazol-2-yl)-5-(4-methylsulfonylphenyl)pyrazin-2-amine;5-(4-methylsulfonylphenyl)-3-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]pyrazin-2-amine;molecular hydrogen
PubChem CID161495980
Molecular FormulaC89H92F3N27O8S4
Molecular Weight1853.16 g/mol
Exact Mass1851.65
IUPAC Name3-(1H-benzimidazol-2-yl)-5-(3-methylsulfonylphenyl)pyrazin-2-amine;3-(1H-benzimidazol-2-yl)-5-pyridin-3-ylpyrazin-2-amine;3-(3H-imidazo[4,5-c]pyridin-2-yl)-5-(4-methylsulfonylphenyl)pyrazin-2-amine;3-(4-methyl-1H-benzimidazol-2-yl)-5-(4-methylsulfonylphenyl)pyrazin-2-amine;5-(4-methylsulfonylphenyl)-3-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]pyrazin-2-amine;molecular hydrogen
SMILESCS(=O)(=O)c1ccc(-c2cnc(N)c(-c3nc4ccc(C(F)(F)F)cc4[nH]3)n2)cc1.CS(=O)(=O)c1ccc(-c2cnc(N)c(-c3nc4ccncc4[nH]3)n2)cc1.CS(=O)(=O)c1cccc(-c2cnc(N)c(-c3nc4ccccc4[nH]3)n2)c1.Cc1cccc2[nH]c(-c3nc(-c4ccc(S(C)(=O)=O)cc4)cnc3N)nc12.Nc1ncc(-c2cccnc2)nc1-c1nc2ccccc2[nH]1.[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H]
InChIInChI=1S/C19H14F3N5O2S.C19H17N5O2S.C18H15N5O2S.C17H14N6O2S.C16H12N6.10H2/c1-30(28,29)12-5-2-10(3-6-12)15-9-24-17(23)16(25-15)18-26-13-7-4-11(19(20,21)22)8-14(13)27-18;1-11-4-3-5-14-16(11)24-19(23-14)17-18(20)21-10-15(22-17)12-6-8-13(9-7-12)27(2,25)26;1-26(24,25)12-6-4-5-11(9-12)15-10-20-17(19)16(21-15)18-22-13-7-2-3-8-14(13)23-18;1-26(24,25)11-4-2-10(3-5-11)13-9-20-16(18)15(21-13)17-22-12-6-7-19-8-14(12)23-17;17-15-14(16-21-11-5-1-2-6-12(11)22-16)20-13(9-19-15)10-4-3-7-18-8-10;;;;;;;;;;/h2-9H,1H3,(H2,23,24)(H,26,27);3-10H,1-2H3,(H2,20,21)(H,23,24);2-10H,1H3,(H2,19,20)(H,22,23);2-9H,1H3,(H2,18,20)(H,22,23);1-9H,(H2,17,19)(H,21,22);10*1H
InChIKeyWGEZNYGCBCJUTL-UHFFFAOYSA-N
XLogP16.54
TPSA564.74 Ų
H-Bond Donors10
H-Bond Acceptors30
Rotatable Bonds14
Heavy Atoms131
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001853.16
LogP ≤ 516.54
H-Bond Donors ≤ 510
H-Bond Acceptors ≤ 1030

Analyze 3-(1H-benzimidazol-2-yl)-5-(3-methylsulfonylphenyl)pyrazin-2-amine;3-(1H-benzimidazol-2-yl)-5-pyridin-3-ylpyrazin-2-amine;3-(3H-imidazo[4,5-c]pyridin-2-yl)-5-(4-methylsulfonylphenyl)pyrazin-2-amine;3-(4-methyl-1H-benzimidazol-2-yl)-5-(4-methylsulfonylphenyl)pyrazin-2-amine;5-(4-methylsulfonylphenyl)-3-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]pyrazin-2-amine;molecular hydrogen with MolForge

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Related Compounds

4-Ethylsulfinyl-3-[3-methyl-6-(1,1,2,2,2-pentafluoroethyl)imidazo[4,5-c]pyridin-2-yl]isoquinoline;4-ethylsulfonyl-3-[3-methyl-6-(1,1,2,2,2-pentafluoroethyl)imidazo[4,5-b]pyridin-2-yl]isoquinoline;4-ethylsulfonyl-3-[3-methyl-6-(1,1,2,2,2-pentafluoroethyl)imidazo[4,5-c]pyridin-2-yl]isoquinoline;4-ethylsulfonyl-3-[3-methyl-6-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]isoquinoline;8-ethylsulfonyl-7-[3-methyl-6-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]-1,6-naphthyridine
CID 157151031
6-N-(1H-benzimidazol-2-ylmethyl)-2-N-pyrazin-2-yl-9-thiophen-3-ylpurine-2,6-diamine;N-[(6-fluoro-1H-benzimidazol-2-yl)methyl]-2-morpholin-4-yl-9-thiophen-3-ylpurin-6-amine;2-morpholin-4-yl-9-thiophen-3-yl-N-[[4-(trifluoromethyl)-1H-benzimidazol-2-yl]methyl]purin-6-amine;2-morpholin-4-yl-9-thiophen-3-yl-N-[[6-(trifluoromethyl)-1H-benzimidazol-2-yl]methyl]purin-6-amine
CID 157406004
2-[6-ethylsulfonyl-1-methyl-2-(trifluoromethyl)benzimidazol-5-yl]-3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridine;2-[6-ethylsulfonyl-3-methyl-2-(trifluoromethyl)benzimidazol-5-yl]-3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridine;2-[6-ethylsulfonyl-2-(trifluoromethyl)-1H-benzimidazol-5-yl]-3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridine;methane
CID 157490815
4-chloro-N-[2,4-difluoro-3-[[3-(7H-purin-6-yl)-2-pyridinyl]amino]phenyl]benzenesulfonamide;N-[2,4-difluoro-3-[[3-(7H-purin-6-yl)-2-pyridinyl]amino]phenyl]benzenesulfonamide;N-[2,4-difluoro-3-[[3-(7H-purin-6-yl)-2-pyridinyl]amino]phenyl]-3,4-difluorobenzenesulfonamide;N-[2,4-difluoro-3-[[3-(7H-purin-6-yl)-2-pyridinyl]amino]phenyl]-2,2,2-trifluoroethanesulfonamide;N-[2,4-difluoro-3-[[3-(7H-purin-6-yl)-2-pyridinyl]amino]phenyl]-4-(trifluoromethyl)benzenesulfonamide;N-[2,4-difluoro-3-[[3-(7H-purin-6-yl)-2-pyridinyl]amino]phenyl]-3,3,3-trifluoropropane-1-sulfonamide
CID 157506187
2-amino-7-[3-methyl-2-(2H-tetrazol-5-yl)-4-(trifluoromethyl)phenyl]-3H-benzimidazole-5-carbonitrile;6-fluoro-4-[3-methyl-2-(2H-tetrazol-5-yl)-4-(trifluoromethyl)phenyl]-1H-benzimidazol-2-amine;6-methyl-5-[[3-methylsulfonyl-2-(2H-tetrazol-5-yl)phenyl]methyl]pyridin-2-amine;4-methyl-7-[3-methyl-2-(2H-tetrazol-5-yl)-4-(trifluoromethyl)phenyl]-1H-benzimidazol-2-amine;7-[3-methyl-2-(2H-tetrazol-5-yl)-4-(trifluoromethyl)phenyl]-1H-imidazo[4,5-b]pyridin-2-amine;7-[3-methyl-2-(2H-tetrazol-5-yl)-4-(trifluoromethyl)phenyl]-3H-imidazo[4,5-c]pyridin-2-amine;4-[3-methyl-2-(2H-tetrazol-5-yl)-4-(trifluoromethyl)phenyl]-6-(trifluoromethyl)-1H-benzimidazol-2-amine
CID 158216281
2-chloro-4-(trifluoromethyl)pyrimidine;2-(4-methylpyrimidin-2-yl)-7-methylsulfanyl-1-propan-2-yl-3,4-dihydro-1H-pyrazino[1,2-a]indole;(1R)-2-(4-methylpyrimidin-2-yl)-7-methylsulfonyl-1-propan-2-yl-3,4-dihydro-1H-pyrazino[1,2-a]indole;(1S)-2-(4-methylpyrimidin-2-yl)-7-methylsulfonyl-1-propan-2-yl-3,4-dihydro-1H-pyrazino[1,2-a]indole;7-methylsulfanyl-1-propan-2-yl-1,2,3,4-tetrahydropyrazino[1,2-a]indole
CID 158517192
4-fluoro-6-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)-4-(trifluoromethyl)phenyl]-1H-indazol-3-amine;3-fluoro-5-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)-4-(trifluoromethyl)phenyl]pyridin-2-amine;5-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)-4-(trifluoromethyl)phenyl]-1H-indazol-3-amine;2-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)-4-(trifluoromethyl)phenyl]pyridin-4-amine;5-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)-4-(trifluoromethyl)phenyl]pyrimidin-2-amine;6-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)-4-(trifluoromethyl)phenyl]-1H-pyrrolo[3,2-b]pyridine;6-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)-4-(trifluoromethyl)phenyl]quinolin-4-amine
CID 158897486
(5R)-5-(2-tert-butyl-6-fluoro-3H-benzimidazol-5-yl)-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-3-amine;(5R)-5-[2-(cyclopropylmethyl)-6-fluoro-3H-benzimidazol-5-yl]-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-3-amine;(5R)-5-(6-fluoro-2-methylsulfonyl-3H-indol-5-yl)-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-3-amine;(5R)-5-(6-fluoro-2-propan-2-yl-3H-benzimidazol-5-yl)-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-3-amine;(5R)-5-[6-fluoro-2-(pyridin-2-ylmethyl)-3H-benzimidazol-5-yl]-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-3-amine;(5R)-5-[6-fluoro-2-(2,2,2-trifluoroethyl)-3H-benzimidazol-5-yl]-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-3-amine;(5R)-5-[6-fluoro-2-(trifluoromethyl)-3H-benzimidazol-5-yl]-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-3-amine
CID 158968145
3,6-Dimethyl-2-[[1-methyl-5-[(4-methylphenyl)methyl]pyrimidin-1-ium-2-yl]methylidene]-1,3-benzothiazole;1,3-dimethyl-2-[3-(1,4,6-trimethylpyrimidin-1-ium-2-yl)prop-2-enylidene]imidazo[4,5-b]quinoxaline;3-heptyl-2-[(1-methyl-5-phenylpyrimidin-1-ium-2-yl)methylidene]-1,3-benzothiazole;3-heptyl-2-[(1,4,6-trimethylpyrimidin-1-ium-2-yl)methylidene]-1,3-benzothiazole;4-methylbenzenesulfonate;3-methyl-2-[(1-methyl-5-phenylpyrimidin-1-ium-2-yl)methylidene]-1,3-benzothiazole;3-methyl-2-[(1,4,6-trimethylpyrimidin-1-ium-2-yl)methylidene]-1,3-benzothiazole;bis(trifluoromethanesulfonate);1,3,3-trimethyl-2-[3-(1,4,6-trimethylpyrimidin-1-ium-2-yl)prop-2-enylidene]indole;1,2,4-trimethyl-6-[(1,4,6-trimethylpyrimidin-2-ylidene)methyl]pyrimidin-1-ium;dihexafluorophosphate;triiodide
CID 159348763
3-fluoro-5-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)-4-(trifluoromethyl)phenyl]pyridin-2-amine;6-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)-4-(trifluoromethyl)phenyl]-1H-indazol-3-amine;5-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)-4-(trifluoromethyl)phenyl]pyrimidin-2-amine;6-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)-4-(trifluoromethyl)phenyl]-1H-pyrrolo[3,2-b]pyridine;6-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)-4-(trifluoromethyl)phenyl]quinolin-4-amine;7-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)-4-(trifluoromethyl)phenyl]quinolin-4-amine;3-(4-piperidin-4-ylphenyl)-6-propyl-2-(3H-1,2,4-triazol-5-yl)benzenesulfonamide
CID 159588387
3-(1H-benzimidazol-2-yl)-5-(3-methylsulfonylphenyl)pyrazin-2-amine;3-(1H-benzimidazol-2-yl)-5-pyridin-3-ylpyrazin-2-amine;3-(3H-imidazo[4,5-c]pyridin-2-yl)-5-(4-methylsulfonylphenyl)pyrazin-2-amine;3-(4-methyl-1H-benzimidazol-2-yl)-5-(4-methylsulfonylphenyl)pyrazin-2-amine;5-(4-methylsulfonylphenyl)-3-[5-(trifluoromethyl)-3H-indol-2-yl]pyrazin-2-amine;molecular hydrogen
CID 160059257
4-[8-amino-1-(1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]-N-[(1S)-1-phenylethyl]piperidine-1-carboxamide;3-[1-(benzenesulfonyl)piperidin-4-yl]-1-(1H-indol-2-yl)imidazo[1,5-a]pyrazin-8-amine;1-(1H-indol-2-yl)-3-[1-(3,3,3-trifluoropropylsulfonyl)piperidin-4-yl]imidazo[1,5-a]pyrazin-8-amine
CID 160113901

Frequently Asked Questions

What is the IUPAC name of 3-(1H-benzimidazol-2-yl)-5-(3-methylsulfonylphenyl)pyrazin-2-amine;3-(1H-benzimidazol-2-yl)-5-pyridin-3-ylpyrazin-2-amine;3-(3H-imidazo[4,5-c]pyridin-2-yl)-5-(4-methylsulfonylphenyl)pyrazin-2-amine;3-(4-methyl-1H-benzimidazol-2-yl)-5-(4-methylsulfonylphenyl)pyrazin-2-amine;5-(4-methylsulfonylphenyl)-3-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]pyrazin-2-amine;molecular hydrogen?
The IUPAC name of 3-(1H-benzimidazol-2-yl)-5-(3-methylsulfonylphenyl)pyrazin-2-amine;3-(1H-benzimidazol-2-yl)-5-pyridin-3-ylpyrazin-2-amine;3-(3H-imidazo[4,5-c]pyridin-2-yl)-5-(4-methylsulfonylphenyl)pyrazin-2-amine;3-(4-methyl-1H-benzimidazol-2-yl)-5-(4-methylsulfonylphenyl)pyrazin-2-amine;5-(4-methylsulfonylphenyl)-3-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]pyrazin-2-amine;molecular hydrogen (CID 161495980) is 3-(1H-benzimidazol-2-yl)-5-(3-methylsulfonylphenyl)pyrazin-2-amine;3-(1H-benzimidazol-2-yl)-5-pyridin-3-ylpyrazin-2-amine;3-(3H-imidazo[4,5-c]pyridin-2-yl)-5-(4-methylsulfonylphenyl)pyrazin-2-amine;3-(4-methyl-1H-benzimidazol-2-yl)-5-(4-methylsulfonylphenyl)pyrazin-2-amine;5-(4-methylsulfonylphenyl)-3-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]pyrazin-2-amine;molecular hydrogen.
What is the SMILES notation for 3-(1H-benzimidazol-2-yl)-5-(3-methylsulfonylphenyl)pyrazin-2-amine;3-(1H-benzimidazol-2-yl)-5-pyridin-3-ylpyrazin-2-amine;3-(3H-imidazo[4,5-c]pyridin-2-yl)-5-(4-methylsulfonylphenyl)pyrazin-2-amine;3-(4-methyl-1H-benzimidazol-2-yl)-5-(4-methylsulfonylphenyl)pyrazin-2-amine;5-(4-methylsulfonylphenyl)-3-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]pyrazin-2-amine;molecular hydrogen?
The canonical SMILES for 3-(1H-benzimidazol-2-yl)-5-(3-methylsulfonylphenyl)pyrazin-2-amine;3-(1H-benzimidazol-2-yl)-5-pyridin-3-ylpyrazin-2-amine;3-(3H-imidazo[4,5-c]pyridin-2-yl)-5-(4-methylsulfonylphenyl)pyrazin-2-amine;3-(4-methyl-1H-benzimidazol-2-yl)-5-(4-methylsulfonylphenyl)pyrazin-2-amine;5-(4-methylsulfonylphenyl)-3-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]pyrazin-2-amine;molecular hydrogen is CS(=O)(=O)c1ccc(-c2cnc(N)c(-c3nc4ccc(C(F)(F)F)cc4[nH]3)n2)cc1.CS(=O)(=O)c1ccc(-c2cnc(N)c(-c3nc4ccncc4[nH]3)n2)cc1.CS(=O)(=O)c1cccc(-c2cnc(N)c(-c3nc4ccccc4[nH]3)n2)c1.Cc1cccc2[nH]c(-c3nc(-c4ccc(S(C)(=O)=O)cc4)cnc3N)nc12.Nc1ncc(-c2cccnc2)nc1-c1nc2ccccc2[nH]1.[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].
What is the InChIKey of 3-(1H-benzimidazol-2-yl)-5-(3-methylsulfonylphenyl)pyrazin-2-amine;3-(1H-benzimidazol-2-yl)-5-pyridin-3-ylpyrazin-2-amine;3-(3H-imidazo[4,5-c]pyridin-2-yl)-5-(4-methylsulfonylphenyl)pyrazin-2-amine;3-(4-methyl-1H-benzimidazol-2-yl)-5-(4-methylsulfonylphenyl)pyrazin-2-amine;5-(4-methylsulfonylphenyl)-3-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]pyrazin-2-amine;molecular hydrogen?
The InChIKey is WGEZNYGCBCJUTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14F3N5O2S.C19H17N5O2S.C18H15N5O2S.C17H14N6O2S.C16H12N6.10H2/c1-30(28,29)12-5-2-10(3-6-12)15-9-24-17(23)16(25-15)18-26-13-7-4-11(19(20,21)22)8-14(13)27-18;1-11-4-3-5-14-16(11)24-19(23-14)17-18(20)21-10-15(22-17)12-6-8-13(9-7-12)27(2,25)26;1-26(24,25)12-6-4-5-11(9-12)15-10-20-17(19)16(21-15)18-22-13-7-2-3-8-14(13)23-18;1-26(24,25)11-4-2-10(3-5-11)13-9-20-16(18)15(21-13)17-22-12-6-7-19-8-14(12)23-17;17-15-14(16-21-11-5-1-2-6-12(11)22-16)20-13(9-19-15)10-4-3-7-18-8-10;;;;;;;;;;/h2-9H,1H3,(H2,23,24)(H,26,27);3-10H,1-2H3,(H2,20,21)(H,23,24);2-10H,1H3,(H2,19,20)(H,22,23);2-9H,1H3,(H2,18,20)(H,22,23);1-9H,(H2,17,19)(H,21,22);10*1H.
What are the key properties of 3-(1H-benzimidazol-2-yl)-5-(3-methylsulfonylphenyl)pyrazin-2-amine;3-(1H-benzimidazol-2-yl)-5-pyridin-3-ylpyrazin-2-amine;3-(3H-imidazo[4,5-c]pyridin-2-yl)-5-(4-methylsulfonylphenyl)pyrazin-2-amine;3-(4-methyl-1H-benzimidazol-2-yl)-5-(4-methylsulfonylphenyl)pyrazin-2-amine;5-(4-methylsulfonylphenyl)-3-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]pyrazin-2-amine;molecular hydrogen?
3-(1H-benzimidazol-2-yl)-5-(3-methylsulfonylphenyl)pyrazin-2-amine;3-(1H-benzimidazol-2-yl)-5-pyridin-3-ylpyrazin-2-amine;3-(3H-imidazo[4,5-c]pyridin-2-yl)-5-(4-methylsulfonylphenyl)pyrazin-2-amine;3-(4-methyl-1H-benzimidazol-2-yl)-5-(4-methylsulfonylphenyl)pyrazin-2-amine;5-(4-methylsulfonylphenyl)-3-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]pyrazin-2-amine;molecular hydrogen has a molecular weight of 1853.16 g/mol, XLogP of 16.54, 14 rotatable bonds, 10 hydrogen bond donors, and 30 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1H-benzimidazol-2-yl)-5-(3-methylsulfonylphenyl)pyrazin-2-amine;3-(1H-benzimidazol-2-yl)-5-pyridin-3-ylpyrazin-2-amine;3-(3H-imidazo[4,5-c]pyridin-2-yl)-5-(4-methylsulfonylphenyl)pyrazin-2-amine;3-(4-methyl-1H-benzimidazol-2-yl)-5-(4-methylsulfonylphenyl)pyrazin-2-amine;5-(4-methylsulfonylphenyl)-3-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]pyrazin-2-amine;molecular hydrogen is sourced from PubChem (CID 161495980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).