5-(4-chloro-1,3-benzothiazol-6-yl)-6-(3-methylpyrazol-1-yl)-N-(pyridin-2-ylmethyl)pyrazin-2-amine;1-[5-(7-chloro-1H-indazol-5-yl)-3-cyano-6-phenylpyrazin-2-yl]-3-cyclopentylurea;6-(7-chloro-1H-indazol-5-yl)-5-(1-methylpyrazol-3-yl)-3-[(1-methylpyrazol-3-yl)amino]pyrazine-2-carbonitrile;N-[5-(8-chloroquinolin-6-yl)-3-cyano-6-phenylpyrazin-2-yl]-4-fluorobenzamide;6-(8-chloroquinolin-6-yl)-5-(1-methylpyrazol-3-yl)-3-(pyrimidin-5-ylamino)pyrazine-2-carbonitrile

C114H80Cl5FN38O2S — CID 157050454

IUPAC5-(4-chloro-1,3-benzothiazol-6-yl)-6-(3-methylpyrazol-1-yl)-N-(pyridin-2-ylmethyl)pyrazin-2-amine;1-[5-(7-chloro-1H-indazol-5-yl)-3-cyano-6-phenylpyrazin-2-yl]-3-cyclopentylurea;6-(7-chloro-1H-indazol-5-yl)-5-(1-methylpyrazol-3-yl)-3-[(1-methylpyrazol-3-yl)amino]pyrazine-2-carbonitrile;N-[5-(8-chloroquinolin-6-yl)-3-cyano-6-phenylpyrazin-2-yl]-4-fluorobenzamide;6-(8-chloroquinolin-6-yl)-5-(1-methylpyrazol-3-yl)-3-(pyrimidin-5-ylamino)pyrazine-2-carbonitrile
SMILESCc1ccn(-c2nc(NCc3ccccn3)cnc2-c2cc(Cl)c3ncsc3c2)n1.Cn1ccc(-c2nc(Nc3cncnc3)c(C#N)nc2-c2cc(Cl)c3ncccc3c2)n1.Cn1ccc(Nc2nc(-c3ccn(C)n3)c(-c3cc(Cl)c4[nH]ncc4c3)nc2C#N)n1.N#Cc1nc(-c2cc(Cl)c3[nH]ncc3c2)c(-c2ccccc2)nc1NC(=O)NC1CCCC1.N#Cc1nc(-c2cc(Cl)c3ncccc3c2)c(-c2ccccc2)nc1NC(=O)c1ccc(F)cc1
InChIInChI=1S/C27H15ClFN5O.C24H20ClN7O.C22H14ClN9.C21H16ClN7S.C20H15ClN10/c28-21-14-19(13-18-7-4-12-31-23(18)21)25-24(16-5-2-1-3-6-16)33-26(22(15-30)32-25)34-27(35)17-8-10-20(29)11-9-17;25-18-11-15(10-16-13-27-32-20(16)18)22-21(14-6-2-1-3-7-14)30-23(19(12-26)29-22)31-24(33)28-17-8-4-5-9-17;1-32-6-4-17(31-32)21-20(14-7-13-3-2-5-27-19(13)16(23)8-14)29-18(9-24)22(30-21)28-15-10-25-12-26-11-15;1-13-5-7-29(28-13)21-19(14-8-16(22)20-17(9-14)30-12-26-20)25-11-18(27-21)24-10-15-4-2-3-6-23-15;1-30-5-3-14(28-30)19-18(11-7-12-10-23-27-17(12)13(21)8-11)24-15(9-22)20(26-19)25-16-4-6-31(2)29-16/h1-14H,(H,33,34,35);1-3,6-7,10-11,13,17H,4-5,8-9H2,(H,27,32)(H2,28,30,31,33);2-8,10-12H,1H3,(H,28,30);2-9,11-12H,10H2,1H3,(H,24,27);3-8,10H,1-2H3,(H,23,27)(H,25,26,29)
InChIKeyAADHMNXGFQVACI-UHFFFAOYSA-N
MW2242.49 g/mol
LogP24.03
Rot. Bonds21

About 5-(4-chloro-1,3-benzothiazol-6-yl)-6-(3-methylpyrazol-1-yl)-N-(pyridin-2-ylmethyl)pyrazin-2-amine;1-[5-(7-chloro-1H-indazol-5-yl)-3-cyano-6-phenylpyrazin-2-yl]-3-cyclopentylurea;6-(7-chloro-1H-indazol-5-yl)-5-(1-methylpyrazol-3-yl)-3-[(1-methylpyrazol-3-yl)amino]pyrazine-2-carbonitrile;N-[5-(8-chloroquinolin-6-yl)-3-cyano-6-phenylpyrazin-2-yl]-4-fluorobenzamide;6-(8-chloroquinolin-6-yl)-5-(1-methylpyrazol-3-yl)-3-(pyrimidin-5-ylamino)pyrazine-2-carbonitrile

5-(4-chloro-1,3-benzothiazol-6-yl)-6-(3-methylpyrazol-1-yl)-N-(pyridin-2-ylmethyl)pyrazin-2-amine;1-[5-(7-chloro-1H-indazol-5-yl)-3-cyano-6-phenylpyrazin-2-yl]-3-cyclopentylurea;6-(7-chloro-1H-indazol-5-yl)-5-(1-methylpyrazol-3-yl)-3-[(1-methylpyrazol-3-yl)amino]pyrazine-2-carbonitrile;N-[5-(8-chloroquinolin-6-yl)-3-cyano-6-phenylpyrazin-2-yl]-4-fluorobenzamide;6-(8-chloroquinolin-6-yl)-5-(1-methylpyrazol-3-yl)-3-(pyrimidin-5-ylamino)pyrazine-2-carbonitrile (PubChem CID 157050454) has the molecular formula C114H80Cl5FN38O2S and a molecular weight of 2242.49 g/mol. Its IUPAC name is 5-(4-chloro-1,3-benzothiazol-6-yl)-6-(3-methylpyrazol-1-yl)-N-(pyridin-2-ylmethyl)pyrazin-2-amine;1-[5-(7-chloro-1H-indazol-5-yl)-3-cyano-6-phenylpyrazin-2-yl]-3-cyclopentylurea;6-(7-chloro-1H-indazol-5-yl)-5-(1-methylpyrazol-3-yl)-3-[(1-methylpyrazol-3-yl)amino]pyrazine-2-carbonitrile;N-[5-(8-chloroquinolin-6-yl)-3-cyano-6-phenylpyrazin-2-yl]-4-fluorobenzamide;6-(8-chloroquinolin-6-yl)-5-(1-methylpyrazol-3-yl)-3-(pyrimidin-5-ylamino)pyrazine-2-carbonitrile.

Molecular Properties

Compound Name5-(4-chloro-1,3-benzothiazol-6-yl)-6-(3-methylpyrazol-1-yl)-N-(pyridin-2-ylmethyl)pyrazin-2-amine;1-[5-(7-chloro-1H-indazol-5-yl)-3-cyano-6-phenylpyrazin-2-yl]-3-cyclopentylurea;6-(7-chloro-1H-indazol-5-yl)-5-(1-methylpyrazol-3-yl)-3-[(1-methylpyrazol-3-yl)amino]pyrazine-2-carbonitrile;N-[5-(8-chloroquinolin-6-yl)-3-cyano-6-phenylpyrazin-2-yl]-4-fluorobenzamide;6-(8-chloroquinolin-6-yl)-5-(1-methylpyrazol-3-yl)-3-(pyrimidin-5-ylamino)pyrazine-2-carbonitrile
PubChem CID157050454
Molecular FormulaC114H80Cl5FN38O2S
Molecular Weight2242.49 g/mol
Exact Mass2238.55
IUPAC Name5-(4-chloro-1,3-benzothiazol-6-yl)-6-(3-methylpyrazol-1-yl)-N-(pyridin-2-ylmethyl)pyrazin-2-amine;1-[5-(7-chloro-1H-indazol-5-yl)-3-cyano-6-phenylpyrazin-2-yl]-3-cyclopentylurea;6-(7-chloro-1H-indazol-5-yl)-5-(1-methylpyrazol-3-yl)-3-[(1-methylpyrazol-3-yl)amino]pyrazine-2-carbonitrile;N-[5-(8-chloroquinolin-6-yl)-3-cyano-6-phenylpyrazin-2-yl]-4-fluorobenzamide;6-(8-chloroquinolin-6-yl)-5-(1-methylpyrazol-3-yl)-3-(pyrimidin-5-ylamino)pyrazine-2-carbonitrile
SMILESCc1ccn(-c2nc(NCc3ccccn3)cnc2-c2cc(Cl)c3ncsc3c2)n1.Cn1ccc(-c2nc(Nc3cncnc3)c(C#N)nc2-c2cc(Cl)c3ncccc3c2)n1.Cn1ccc(Nc2nc(-c3ccn(C)n3)c(-c3cc(Cl)c4[nH]ncc4c3)nc2C#N)n1.N#Cc1nc(-c2cc(Cl)c3[nH]ncc3c2)c(-c2ccccc2)nc1NC(=O)NC1CCCC1.N#Cc1nc(-c2cc(Cl)c3ncccc3c2)c(-c2ccccc2)nc1NC(=O)c1ccc(F)cc1
InChIInChI=1S/C27H15ClFN5O.C24H20ClN7O.C22H14ClN9.C21H16ClN7S.C20H15ClN10/c28-21-14-19(13-18-7-4-12-31-23(18)21)25-24(16-5-2-1-3-6-16)33-26(22(15-30)32-25)34-27(35)17-8-10-20(29)11-9-17;25-18-11-15(10-16-13-27-32-20(16)18)22-21(14-6-2-1-3-7-14)30-23(19(12-26)29-22)31-24(33)28-17-8-4-5-9-17;1-32-6-4-17(31-32)21-20(14-7-13-3-2-5-27-19(13)16(23)8-14)29-18(9-24)22(30-21)28-15-10-25-12-26-11-15;1-13-5-7-29(28-13)21-19(14-8-16(22)20-17(9-14)30-12-26-20)25-11-18(27-21)24-10-15-4-2-3-6-23-15;1-30-5-3-14(28-30)19-18(11-7-12-10-23-27-17(12)13(21)8-11)24-15(9-22)20(26-19)25-16-4-6-31(2)29-16/h1-14H,(H,33,34,35);1-3,6-7,10-11,13,17H,4-5,8-9H2,(H,27,32)(H2,28,30,31,33);2-8,10-12H,1H3,(H,28,30);2-9,11-12H,10H2,1H3,(H,24,27);3-8,10H,1-2H3,(H,23,27)(H,25,26,29)
InChIKeyAADHMNXGFQVACI-UHFFFAOYSA-N
XLogP24.03
TPSA536.36 Ų
H-Bond Donors8
H-Bond Acceptors36
Rotatable Bonds21
Heavy Atoms161
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002242.49
LogP ≤ 524.03
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1036

Analyze 5-(4-chloro-1,3-benzothiazol-6-yl)-6-(3-methylpyrazol-1-yl)-N-(pyridin-2-ylmethyl)pyrazin-2-amine;1-[5-(7-chloro-1H-indazol-5-yl)-3-cyano-6-phenylpyrazin-2-yl]-3-cyclopentylurea;6-(7-chloro-1H-indazol-5-yl)-5-(1-methylpyrazol-3-yl)-3-[(1-methylpyrazol-3-yl)amino]pyrazine-2-carbonitrile;N-[5-(8-chloroquinolin-6-yl)-3-cyano-6-phenylpyrazin-2-yl]-4-fluorobenzamide;6-(8-chloroquinolin-6-yl)-5-(1-methylpyrazol-3-yl)-3-(pyrimidin-5-ylamino)pyrazine-2-carbonitrile with MolForge

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Related Compounds

3-[3-[1-(1,3-benzothiazol-6-yl)ethyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]benzonitrile;4-[3-[1-(1,3-benzothiazol-6-yl)ethyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]-2-fluoro-N-methylbenzamide;6-[(6-chloro-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl]-5,7-difluoroquinoline;N-ethyl-2-fluoro-4-[3-(quinolin-6-ylmethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]benzamide;6-[[6-(3-fluoro-5-methylphenyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]quinoline;2-fluoro-N-methyl-4-[3-(1-quinolin-6-ylethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]benzamide;6-[[6-[4-fluoro-3-(trifluoromethyl)phenyl]-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]quinoline;6-[[6-[3-(trifluoromethyl)phenyl]-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]quinoline
CID 159137825
3-[3-[1-(1,3-benzothiazol-6-yl)ethyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]benzonitrile;4-[3-[1-(1,3-benzothiazol-6-yl)ethyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]-2-fluoro-N-methylbenzamide;N-ethyl-2-fluoro-4-[3-(quinolin-6-ylmethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]benzamide;6-[[6-(3-fluoro-5-methylphenyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]quinoline;2-fluoro-N-methyl-4-[3-(1-quinolin-6-ylethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]benzamide;6-[[6-[4-fluoro-3-(trifluoromethyl)phenyl]-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]quinoline;6-[1-[6-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]ethyl]-1,3-benzothiazole;6-[[6-[3-(trifluoromethyl)phenyl]-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]quinoline
CID 159522818
3-[3-[1-(1,3-benzothiazol-6-yl)-1-fluoroethyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]benzonitrile;3-bromo-6-[fluoro([1,2,4]triazolo[4,3-b][1,2,4]triazin-3-yl)methyl]quinoline;4-[3-[(5,7-difluoroquinolin-6-yl)-fluoromethyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]-2-fluoro-N-methylbenzamide;6-[fluoro-(6-methyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl]-3-(1-methylpyrazol-4-yl)quinoline;6-[fluoro-(6-methyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl]-3-(1-piperidin-4-ylpyrazol-4-yl)quinoline;6-[fluoro-(6-methyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl]-3-pyridin-3-ylquinoline;3-[6-[fluoro-(6-methyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl]quinolin-3-yl]benzonitrile;3-[3-(1-fluoro-1-quinolin-6-ylethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]benzonitrile
CID 157134195
6-[2-(5-chloro-2,4-difluorophenyl)-3-pyridinyl]-1,3-benzothiazole;6-[2-(5-chloro-2,4-difluorophenyl)-3-pyridinyl]-3-isocyanoimidazo[1,2-a]pyridine;6-[2-(5-chloro-2-fluorophenyl)-3-pyridinyl]-1,3-benzothiazole;6-[2-(5-chloro-2-fluorophenyl)-3-pyridinyl]-3-isocyanoimidazo[1,2-a]pyridine;5-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-N-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)pyrazolo[1,5-a]pyridine-3-carboxamide
CID 157487129
3-amino-6-(4-chloro-1,3-benzothiazol-6-yl)-N-[(4-fluorophenyl)methyl]-5-(1-methylpyrazol-3-yl)pyrazine-2-carboxamide;3-amino-6-(7-chloro-1H-indazol-5-yl)-N-[(4-fluorophenyl)methyl]-5-(3-methylpyrazol-1-yl)pyrazine-2-carboxamide;3-amino-6-(8-chloroquinolin-6-yl)-N-[(4-fluorophenyl)methyl]-5-(1-methylpyrazol-3-yl)pyrazine-2-carboxamide;3-amino-6-(8-chloroquinolin-6-yl)-N-[(4-fluorophenyl)methyl]-5-(3-methylpyrazol-1-yl)pyrazine-2-carboxamide
CID 157973126
3-Amino-6-(8-chloroquinolin-6-yl)-5-(1-methylpyrazol-3-yl)pyrazine-2-carbonitrile;1-[6-amino-3-(8-chloroquinolin-6-yl)pyrazin-2-yl]pyridin-2-one;5-(4-chloro-1,3-benzothiazol-6-yl)-6-(1-methylpyrazol-3-yl)pyrazin-2-amine;5-(8-chloroquinolin-6-yl)-6-(1-cyclopropylpyrazol-3-yl)pyrazin-2-amine;5-(8-chloroquinolin-6-yl)-6-(3-methylpyrazol-1-yl)pyrazin-2-amine
CID 158607587
6-[1-(6-chloro-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)ethyl]-1,3-benzothiazole;3-[3-[(5,7-difluoroquinolin-6-yl)methyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]benzonitrile;4-[3-[(5,7-difluoroquinolin-6-yl)methyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]-2-fluoro-N-methylbenzamide;2-fluoro-N-methyl-4-[3-[(7-methylquinolin-6-yl)methyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]benzamide;6-[1-[6-(3-fluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]ethyl]-1,3-benzothiazole;6-[[6-(4-methylpiperazin-1-yl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]quinoline;3-[3-[(7-methylquinolin-6-yl)methyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]benzonitrile;6-[(6-piperidin-1-yl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl]quinoline
CID 158902324
N-[6-[4-amino-1-[(8-chloro-1-oxo-2-propan-2-ylisoquinolin-3-yl)methyl]pyrazolo[3,4-d]pyrimidin-3-yl]-1,3-benzothiazol-2-yl]acetamide;N-[6-[4-amino-1-[(2-cyclobutyl-8-methyl-1-oxoisoquinolin-3-yl)methyl]pyrazolo[3,4-d]pyrimidin-3-yl]-1,3-benzothiazol-2-yl]acetamide;N-[6-[4-amino-1-[(8-fluoro-1-oxo-2-propan-2-ylisoquinolin-3-yl)methyl]pyrazolo[3,4-d]pyrimidin-3-yl]-1,3-benzothiazol-2-yl]acetamide;3-[[4-amino-3-(1H-pyrazol-4-yl)pyrazolo[3,4-d]pyrimidin-1-yl]methyl]-8-methyl-2-(2-methylphenyl)isoquinolin-1-one
CID 158964579
1-[5-acetyl-6-amino-3-(8-chloroquinolin-6-yl)pyrazin-2-yl]pyridin-2-one;[3-amino-6-(4-chloro-1,3-benzothiazol-6-yl)-5-phenylpyrazin-2-yl]-cyclopentylmethanone;6-[5-amino-3-(1-methylpyrazol-3-yl)-6-[2-(1-methylpyrrol-2-yl)ethyl]pyrazin-2-yl]-8-methyl-2H-isoquinolin-1-one;5-(7-chloro-3H-benzimidazol-5-yl)-6-(5-methyl-1,2-thiazol-3-yl)-3-N-(oxan-4-ylmethyl)pyrazine-2,3-diamine;5-(7-chloro-1H-indazol-5-yl)-3-N,3-N-dimethyl-6-phenylpyrazine-2,3-diamine
CID 158976785
6-(4-chloro-1,3-benzothiazol-6-yl)-7-(1-methylpyrazol-3-yl)-1H-1,8-naphthyridin-2-one;6-(7-chloro-1H-indazol-5-yl)-7-(1-methylpyrazol-3-yl)-1H-1,8-naphthyridin-2-one;6-(8-chloroquinolin-6-yl)-7-(1-methylpyrazol-3-yl)-1H-1,8-naphthyridin-2-one;6-(8-chloroquinolin-6-yl)-7-(3-methylpyrazol-1-yl)-1H-1,8-naphthyridin-2-one;6-(8-chloroquinolin-6-yl)-7-(2-methyl-1,3-thiazol-5-yl)-1H-1,8-naphthyridin-2-one;6-(8-chloroquinolin-6-yl)-7-(2-oxo-1-pyridinyl)-1H-1,8-naphthyridin-2-one
CID 158989441
1-[3-amino-6-(4-chloro-1,3-benzothiazol-6-yl)-5-(1-methylpyrazol-3-yl)pyrazin-2-yl]-3-phenylpropan-2-one;5-(4-chloro-1,3-benzothiazol-6-yl)-3-[3-(diethylamino)propyl]-6-(1-methylpyrazol-3-yl)pyrazin-2-amine;5-(7-chloro-1H-indazol-5-yl)-3-[3-(diethylamino)propyl]-6-(1-methylpyrazol-3-yl)pyrazin-2-amine;5-(8-chloroquinolin-6-yl)-3-[3-(diethylamino)propyl]-6-(3-methylpyrazol-1-yl)pyrazin-2-amine;5-(8-chloroquinolin-6-yl)-3-[3-(diethylamino)propyl]-6-(2-methyl-1,3-thiazol-5-yl)pyrazin-2-amine
CID 159248081
4-[3-(1,3-benzothiazol-6-ylmethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]-N-ethyl-2-fluorobenzamide;4-[3-(1,3-benzothiazol-6-ylmethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]-2-fluoro-N-propan-2-ylbenzamide;6-[[6-(3,5-difluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]-1,3-benzothiazole;7-fluoro-6-[[6-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]quinoline;8-fluoro-6-[[6-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]quinoline;6-[[6-(3-fluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]-1,3-benzothiazole;8-methyl-6-[[6-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]quinoline;6-[[6-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]-1,3-benzothiazole
CID 159304780

Frequently Asked Questions

What is the IUPAC name of 5-(4-chloro-1,3-benzothiazol-6-yl)-6-(3-methylpyrazol-1-yl)-N-(pyridin-2-ylmethyl)pyrazin-2-amine;1-[5-(7-chloro-1H-indazol-5-yl)-3-cyano-6-phenylpyrazin-2-yl]-3-cyclopentylurea;6-(7-chloro-1H-indazol-5-yl)-5-(1-methylpyrazol-3-yl)-3-[(1-methylpyrazol-3-yl)amino]pyrazine-2-carbonitrile;N-[5-(8-chloroquinolin-6-yl)-3-cyano-6-phenylpyrazin-2-yl]-4-fluorobenzamide;6-(8-chloroquinolin-6-yl)-5-(1-methylpyrazol-3-yl)-3-(pyrimidin-5-ylamino)pyrazine-2-carbonitrile?
The IUPAC name of 5-(4-chloro-1,3-benzothiazol-6-yl)-6-(3-methylpyrazol-1-yl)-N-(pyridin-2-ylmethyl)pyrazin-2-amine;1-[5-(7-chloro-1H-indazol-5-yl)-3-cyano-6-phenylpyrazin-2-yl]-3-cyclopentylurea;6-(7-chloro-1H-indazol-5-yl)-5-(1-methylpyrazol-3-yl)-3-[(1-methylpyrazol-3-yl)amino]pyrazine-2-carbonitrile;N-[5-(8-chloroquinolin-6-yl)-3-cyano-6-phenylpyrazin-2-yl]-4-fluorobenzamide;6-(8-chloroquinolin-6-yl)-5-(1-methylpyrazol-3-yl)-3-(pyrimidin-5-ylamino)pyrazine-2-carbonitrile (CID 157050454) is 5-(4-chloro-1,3-benzothiazol-6-yl)-6-(3-methylpyrazol-1-yl)-N-(pyridin-2-ylmethyl)pyrazin-2-amine;1-[5-(7-chloro-1H-indazol-5-yl)-3-cyano-6-phenylpyrazin-2-yl]-3-cyclopentylurea;6-(7-chloro-1H-indazol-5-yl)-5-(1-methylpyrazol-3-yl)-3-[(1-methylpyrazol-3-yl)amino]pyrazine-2-carbonitrile;N-[5-(8-chloroquinolin-6-yl)-3-cyano-6-phenylpyrazin-2-yl]-4-fluorobenzamide;6-(8-chloroquinolin-6-yl)-5-(1-methylpyrazol-3-yl)-3-(pyrimidin-5-ylamino)pyrazine-2-carbonitrile.
What is the SMILES notation for 5-(4-chloro-1,3-benzothiazol-6-yl)-6-(3-methylpyrazol-1-yl)-N-(pyridin-2-ylmethyl)pyrazin-2-amine;1-[5-(7-chloro-1H-indazol-5-yl)-3-cyano-6-phenylpyrazin-2-yl]-3-cyclopentylurea;6-(7-chloro-1H-indazol-5-yl)-5-(1-methylpyrazol-3-yl)-3-[(1-methylpyrazol-3-yl)amino]pyrazine-2-carbonitrile;N-[5-(8-chloroquinolin-6-yl)-3-cyano-6-phenylpyrazin-2-yl]-4-fluorobenzamide;6-(8-chloroquinolin-6-yl)-5-(1-methylpyrazol-3-yl)-3-(pyrimidin-5-ylamino)pyrazine-2-carbonitrile?
The canonical SMILES for 5-(4-chloro-1,3-benzothiazol-6-yl)-6-(3-methylpyrazol-1-yl)-N-(pyridin-2-ylmethyl)pyrazin-2-amine;1-[5-(7-chloro-1H-indazol-5-yl)-3-cyano-6-phenylpyrazin-2-yl]-3-cyclopentylurea;6-(7-chloro-1H-indazol-5-yl)-5-(1-methylpyrazol-3-yl)-3-[(1-methylpyrazol-3-yl)amino]pyrazine-2-carbonitrile;N-[5-(8-chloroquinolin-6-yl)-3-cyano-6-phenylpyrazin-2-yl]-4-fluorobenzamide;6-(8-chloroquinolin-6-yl)-5-(1-methylpyrazol-3-yl)-3-(pyrimidin-5-ylamino)pyrazine-2-carbonitrile is Cc1ccn(-c2nc(NCc3ccccn3)cnc2-c2cc(Cl)c3ncsc3c2)n1.Cn1ccc(-c2nc(Nc3cncnc3)c(C#N)nc2-c2cc(Cl)c3ncccc3c2)n1.Cn1ccc(Nc2nc(-c3ccn(C)n3)c(-c3cc(Cl)c4[nH]ncc4c3)nc2C#N)n1.N#Cc1nc(-c2cc(Cl)c3[nH]ncc3c2)c(-c2ccccc2)nc1NC(=O)NC1CCCC1.N#Cc1nc(-c2cc(Cl)c3ncccc3c2)c(-c2ccccc2)nc1NC(=O)c1ccc(F)cc1.
What is the InChIKey of 5-(4-chloro-1,3-benzothiazol-6-yl)-6-(3-methylpyrazol-1-yl)-N-(pyridin-2-ylmethyl)pyrazin-2-amine;1-[5-(7-chloro-1H-indazol-5-yl)-3-cyano-6-phenylpyrazin-2-yl]-3-cyclopentylurea;6-(7-chloro-1H-indazol-5-yl)-5-(1-methylpyrazol-3-yl)-3-[(1-methylpyrazol-3-yl)amino]pyrazine-2-carbonitrile;N-[5-(8-chloroquinolin-6-yl)-3-cyano-6-phenylpyrazin-2-yl]-4-fluorobenzamide;6-(8-chloroquinolin-6-yl)-5-(1-methylpyrazol-3-yl)-3-(pyrimidin-5-ylamino)pyrazine-2-carbonitrile?
The InChIKey is AADHMNXGFQVACI-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H15ClFN5O.C24H20ClN7O.C22H14ClN9.C21H16ClN7S.C20H15ClN10/c28-21-14-19(13-18-7-4-12-31-23(18)21)25-24(16-5-2-1-3-6-16)33-26(22(15-30)32-25)34-27(35)17-8-10-20(29)11-9-17;25-18-11-15(10-16-13-27-32-20(16)18)22-21(14-6-2-1-3-7-14)30-23(19(12-26)29-22)31-24(33)28-17-8-4-5-9-17;1-32-6-4-17(31-32)21-20(14-7-13-3-2-5-27-19(13)16(23)8-14)29-18(9-24)22(30-21)28-15-10-25-12-26-11-15;1-13-5-7-29(28-13)21-19(14-8-16(22)20-17(9-14)30-12-26-20)25-11-18(27-21)24-10-15-4-2-3-6-23-15;1-30-5-3-14(28-30)19-18(11-7-12-10-23-27-17(12)13(21)8-11)24-15(9-22)20(26-19)25-16-4-6-31(2)29-16/h1-14H,(H,33,34,35);1-3,6-7,10-11,13,17H,4-5,8-9H2,(H,27,32)(H2,28,30,31,33);2-8,10-12H,1H3,(H,28,30);2-9,11-12H,10H2,1H3,(H,24,27);3-8,10H,1-2H3,(H,23,27)(H,25,26,29).
What are the key properties of 5-(4-chloro-1,3-benzothiazol-6-yl)-6-(3-methylpyrazol-1-yl)-N-(pyridin-2-ylmethyl)pyrazin-2-amine;1-[5-(7-chloro-1H-indazol-5-yl)-3-cyano-6-phenylpyrazin-2-yl]-3-cyclopentylurea;6-(7-chloro-1H-indazol-5-yl)-5-(1-methylpyrazol-3-yl)-3-[(1-methylpyrazol-3-yl)amino]pyrazine-2-carbonitrile;N-[5-(8-chloroquinolin-6-yl)-3-cyano-6-phenylpyrazin-2-yl]-4-fluorobenzamide;6-(8-chloroquinolin-6-yl)-5-(1-methylpyrazol-3-yl)-3-(pyrimidin-5-ylamino)pyrazine-2-carbonitrile?
5-(4-chloro-1,3-benzothiazol-6-yl)-6-(3-methylpyrazol-1-yl)-N-(pyridin-2-ylmethyl)pyrazin-2-amine;1-[5-(7-chloro-1H-indazol-5-yl)-3-cyano-6-phenylpyrazin-2-yl]-3-cyclopentylurea;6-(7-chloro-1H-indazol-5-yl)-5-(1-methylpyrazol-3-yl)-3-[(1-methylpyrazol-3-yl)amino]pyrazine-2-carbonitrile;N-[5-(8-chloroquinolin-6-yl)-3-cyano-6-phenylpyrazin-2-yl]-4-fluorobenzamide;6-(8-chloroquinolin-6-yl)-5-(1-methylpyrazol-3-yl)-3-(pyrimidin-5-ylamino)pyrazine-2-carbonitrile has a molecular weight of 2242.49 g/mol, XLogP of 24.03, 21 rotatable bonds, 8 hydrogen bond donors, and 36 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-chloro-1,3-benzothiazol-6-yl)-6-(3-methylpyrazol-1-yl)-N-(pyridin-2-ylmethyl)pyrazin-2-amine;1-[5-(7-chloro-1H-indazol-5-yl)-3-cyano-6-phenylpyrazin-2-yl]-3-cyclopentylurea;6-(7-chloro-1H-indazol-5-yl)-5-(1-methylpyrazol-3-yl)-3-[(1-methylpyrazol-3-yl)amino]pyrazine-2-carbonitrile;N-[5-(8-chloroquinolin-6-yl)-3-cyano-6-phenylpyrazin-2-yl]-4-fluorobenzamide;6-(8-chloroquinolin-6-yl)-5-(1-methylpyrazol-3-yl)-3-(pyrimidin-5-ylamino)pyrazine-2-carbonitrile is sourced from PubChem (CID 157050454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).