6-[5-amino-6-chloro-3-(1-methylimidazol-4-yl)pyrazin-2-yl]-8-chloro-1H-quinolin-2-one;6-[5-amino-3-(3-methylpyrazol-1-yl)-6-(trifluoromethyl)pyrazin-2-yl]-1H-quinolin-4-one;5-(7-chloro-3H-benzimidazol-5-yl)-6-(3-methylpyrazol-1-yl)-3-(trifluoromethoxy)pyrazin-2-amine;3-chloro-5-(8-chloroquinolin-6-yl)-6-(5-methyl-1,3-thiazol-2-yl)pyrazin-2-amine;3-fluoro-6-(5-methylfuran-2-yl)-5-quinolin-6-ylpyrazin-2-amine

C86H60Cl5F7N28O4S — CID 157085973

IUPAC6-[5-amino-6-chloro-3-(1-methylimidazol-4-yl)pyrazin-2-yl]-8-chloro-1H-quinolin-2-one;6-[5-amino-3-(3-methylpyrazol-1-yl)-6-(trifluoromethyl)pyrazin-2-yl]-1H-quinolin-4-one;5-(7-chloro-3H-benzimidazol-5-yl)-6-(3-methylpyrazol-1-yl)-3-(trifluoromethoxy)pyrazin-2-amine;3-chloro-5-(8-chloroquinolin-6-yl)-6-(5-methyl-1,3-thiazol-2-yl)pyrazin-2-amine;3-fluoro-6-(5-methylfuran-2-yl)-5-quinolin-6-ylpyrazin-2-amine
SMILESCc1ccc(-c2nc(N)c(F)nc2-c2ccc3ncccc3c2)o1.Cc1ccn(-c2nc(N)c(C(F)(F)F)nc2-c2ccc3[nH]ccc(=O)c3c2)n1.Cc1ccn(-c2nc(N)c(OC(F)(F)F)nc2-c2cc(Cl)c3nc[nH]c3c2)n1.Cc1cnc(-c2nc(N)c(Cl)nc2-c2cc(Cl)c3ncccc3c2)s1.Cn1cnc(-c2nc(N)c(Cl)nc2-c2cc(Cl)c3[nH]c(=O)ccc3c2)c1
InChIInChI=1S/C18H13F3N6O.C18H13FN4O.C17H12Cl2N6O.C17H11Cl2N5S.C16H11ClF3N7O/c1-9-5-7-27(26-9)17-14(24-15(16(22)25-17)18(19,20)21)10-2-3-12-11(8-10)13(28)4-6-23-12;1-10-4-7-14(24-10)16-15(22-17(19)18(20)23-16)12-5-6-13-11(9-12)3-2-8-21-13;1-25-6-11(21-7-25)15-14(23-16(19)17(20)24-15)9-4-8-2-3-12(26)22-13(8)10(18)5-9;1-8-7-22-17(25-8)14-13(23-15(19)16(20)24-14)10-5-9-3-2-4-21-12(9)11(18)6-10;1-7-2-3-27(26-7)14-11(24-15(13(21)25-14)28-16(18,19)20)8-4-9(17)12-10(5-8)22-6-23-12/h2-8H,1H3,(H2,22,25)(H,23,28);2-9H,1H3,(H2,20,23);2-7H,1H3,(H2,20,24)(H,22,26);2-7H,1H3,(H2,20,24);2-6H,1H3,(H2,21,25)(H,22,23)
InChIKeyAEBZCQICRDYYEJ-UHFFFAOYSA-N
MW1891.94 g/mol
LogP19.00
Rot. Bonds11

About 6-[5-amino-6-chloro-3-(1-methylimidazol-4-yl)pyrazin-2-yl]-8-chloro-1H-quinolin-2-one;6-[5-amino-3-(3-methylpyrazol-1-yl)-6-(trifluoromethyl)pyrazin-2-yl]-1H-quinolin-4-one;5-(7-chloro-3H-benzimidazol-5-yl)-6-(3-methylpyrazol-1-yl)-3-(trifluoromethoxy)pyrazin-2-amine;3-chloro-5-(8-chloroquinolin-6-yl)-6-(5-methyl-1,3-thiazol-2-yl)pyrazin-2-amine;3-fluoro-6-(5-methylfuran-2-yl)-5-quinolin-6-ylpyrazin-2-amine

6-[5-amino-6-chloro-3-(1-methylimidazol-4-yl)pyrazin-2-yl]-8-chloro-1H-quinolin-2-one;6-[5-amino-3-(3-methylpyrazol-1-yl)-6-(trifluoromethyl)pyrazin-2-yl]-1H-quinolin-4-one;5-(7-chloro-3H-benzimidazol-5-yl)-6-(3-methylpyrazol-1-yl)-3-(trifluoromethoxy)pyrazin-2-amine;3-chloro-5-(8-chloroquinolin-6-yl)-6-(5-methyl-1,3-thiazol-2-yl)pyrazin-2-amine;3-fluoro-6-(5-methylfuran-2-yl)-5-quinolin-6-ylpyrazin-2-amine (PubChem CID 157085973) has the molecular formula C86H60Cl5F7N28O4S and a molecular weight of 1891.94 g/mol. Its IUPAC name is 6-[5-amino-6-chloro-3-(1-methylimidazol-4-yl)pyrazin-2-yl]-8-chloro-1H-quinolin-2-one;6-[5-amino-3-(3-methylpyrazol-1-yl)-6-(trifluoromethyl)pyrazin-2-yl]-1H-quinolin-4-one;5-(7-chloro-3H-benzimidazol-5-yl)-6-(3-methylpyrazol-1-yl)-3-(trifluoromethoxy)pyrazin-2-amine;3-chloro-5-(8-chloroquinolin-6-yl)-6-(5-methyl-1,3-thiazol-2-yl)pyrazin-2-amine;3-fluoro-6-(5-methylfuran-2-yl)-5-quinolin-6-ylpyrazin-2-amine.

Molecular Properties

Compound Name6-[5-amino-6-chloro-3-(1-methylimidazol-4-yl)pyrazin-2-yl]-8-chloro-1H-quinolin-2-one;6-[5-amino-3-(3-methylpyrazol-1-yl)-6-(trifluoromethyl)pyrazin-2-yl]-1H-quinolin-4-one;5-(7-chloro-3H-benzimidazol-5-yl)-6-(3-methylpyrazol-1-yl)-3-(trifluoromethoxy)pyrazin-2-amine;3-chloro-5-(8-chloroquinolin-6-yl)-6-(5-methyl-1,3-thiazol-2-yl)pyrazin-2-amine;3-fluoro-6-(5-methylfuran-2-yl)-5-quinolin-6-ylpyrazin-2-amine
PubChem CID157085973
Molecular FormulaC86H60Cl5F7N28O4S
Molecular Weight1891.94 g/mol
Exact Mass1888.34
IUPAC Name6-[5-amino-6-chloro-3-(1-methylimidazol-4-yl)pyrazin-2-yl]-8-chloro-1H-quinolin-2-one;6-[5-amino-3-(3-methylpyrazol-1-yl)-6-(trifluoromethyl)pyrazin-2-yl]-1H-quinolin-4-one;5-(7-chloro-3H-benzimidazol-5-yl)-6-(3-methylpyrazol-1-yl)-3-(trifluoromethoxy)pyrazin-2-amine;3-chloro-5-(8-chloroquinolin-6-yl)-6-(5-methyl-1,3-thiazol-2-yl)pyrazin-2-amine;3-fluoro-6-(5-methylfuran-2-yl)-5-quinolin-6-ylpyrazin-2-amine
SMILESCc1ccc(-c2nc(N)c(F)nc2-c2ccc3ncccc3c2)o1.Cc1ccn(-c2nc(N)c(C(F)(F)F)nc2-c2ccc3[nH]ccc(=O)c3c2)n1.Cc1ccn(-c2nc(N)c(OC(F)(F)F)nc2-c2cc(Cl)c3nc[nH]c3c2)n1.Cc1cnc(-c2nc(N)c(Cl)nc2-c2cc(Cl)c3ncccc3c2)s1.Cn1cnc(-c2nc(N)c(Cl)nc2-c2cc(Cl)c3[nH]c(=O)ccc3c2)c1
InChIInChI=1S/C18H13F3N6O.C18H13FN4O.C17H12Cl2N6O.C17H11Cl2N5S.C16H11ClF3N7O/c1-9-5-7-27(26-9)17-14(24-15(16(22)25-17)18(19,20)21)10-2-3-12-11(8-10)13(28)4-6-23-12;1-10-4-7-14(24-10)16-15(22-17(19)18(20)23-16)12-5-6-13-11(9-12)3-2-8-21-13;1-25-6-11(21-7-25)15-14(23-16(19)17(20)24-15)9-4-8-2-3-12(26)22-13(8)10(18)5-9;1-8-7-22-17(25-8)14-13(23-15(19)16(20)24-14)10-5-9-3-2-4-21-12(9)11(18)6-10;1-7-2-3-27(26-7)14-11(24-15(13(21)25-14)28-16(18,19)20)8-4-9(17)12-10(5-8)22-6-23-12/h2-8H,1H3,(H2,22,25)(H,23,28);2-9H,1H3,(H2,20,23);2-7H,1H3,(H2,20,24)(H,22,26);2-7H,1H3,(H2,20,24);2-6H,1H3,(H2,21,25)(H,22,23)
InChIKeyAEBZCQICRDYYEJ-UHFFFAOYSA-N
XLogP19.00
TPSA467.90 Ų
H-Bond Donors8
H-Bond Acceptors30
Rotatable Bonds11
Heavy Atoms131
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001891.94
LogP ≤ 519.00
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1030

Analyze 6-[5-amino-6-chloro-3-(1-methylimidazol-4-yl)pyrazin-2-yl]-8-chloro-1H-quinolin-2-one;6-[5-amino-3-(3-methylpyrazol-1-yl)-6-(trifluoromethyl)pyrazin-2-yl]-1H-quinolin-4-one;5-(7-chloro-3H-benzimidazol-5-yl)-6-(3-methylpyrazol-1-yl)-3-(trifluoromethoxy)pyrazin-2-amine;3-chloro-5-(8-chloroquinolin-6-yl)-6-(5-methyl-1,3-thiazol-2-yl)pyrazin-2-amine;3-fluoro-6-(5-methylfuran-2-yl)-5-quinolin-6-ylpyrazin-2-amine with MolForge

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Related Compounds

1H-benzimidazole;1-(2-chlorophenyl)pyrazole;5-(1,1-difluoroethyl)-1-methylpyrazole;2,3-dihydro-1H-benzo[de]isoquinoline;2,3-dihydro-1H-indole;1-(3,4-dimethylphenyl)pyrazole;3,5-dimethylpyridine;1-(2-fluorophenyl)pyrazole;2-methoxypyridine;3-methoxypyridine;6-methylimidazo[1,2-a]pyridine;5-methyl-3-phenyl-1,2,4-oxadiazole;1-(3-methylphenyl)pyrazole;1-(4-methylphenyl)pyrazole;1,6-naphthyridine;2-pyridin-3-yl-1,3-oxazole;3-(1H-pyrrol-2-yl)pyridine;4-(3H-pyrrol-5-yl)pyridine;quinoline;5,6,7,8-tetrahydro-1,6-naphthyridine;thieno[2,3-b]pyrazine;2-(trifluoromethyl)imidazo[1,2-a]pyridine
CID 157674447
1H-benzimidazole;1-(2-chlorophenyl)pyrazole;2,3-dihydro-1H-benzo[de]isoquinoline;2,3-dihydro-1H-indole;1-(3,4-dimethylphenyl)pyrazole;3,5-dimethylpyridine;1-(2-fluorophenyl)pyrazole;1-(3-fluorophenyl)pyrazole;2-methoxypyridine;3-methoxypyridine;6-methylimidazo[1,2-a]pyridine;5-methyl-3-phenyl-1,2,4-oxadiazole;1-(4-methylphenyl)pyrazole;1,6-naphthyridine;5-pyridin-3-yl-1,2,4-oxadiazole;3-pyridin-3-yl-1,2-oxazole;2-(3H-pyrrol-5-yl)pyridine;3-(1H-pyrrol-2-yl)pyridine;4-(3H-pyrrol-5-yl)pyridine;quinoline;5,6,7,8-tetrahydro-1,6-naphthyridine;thieno[2,3-b]pyrazine;2-(trifluoromethyl)imidazo[1,2-a]pyridine
CID 158813377
1-(2-chlorophenyl)pyrazole;5-(1,1-difluoroethyl)-1-methylpyrazole;2,3-dihydro-1H-benzo[de]isoquinoline;2,3-dihydro-1H-indole;1-(3,4-dimethylphenyl)pyrazole;3,5-dimethylpyridine;1-(2-fluorophenyl)pyrazole;1H-imidazo[4,5-b]pyridine;2-methoxypyridine;3-methoxypyridine;6-methylimidazo[1,2-a]pyridine;5-methyl-3-phenyl-1,2,4-oxadiazole;1-(3-methylphenyl)pyrazole;1-(4-methylphenyl)pyrazole;1,6-naphthyridine;2-pyridin-3-yl-1,3-oxazole;3-(1H-pyrrol-2-yl)pyridine;quinoline;5,6,7,8-tetrahydro-1,6-naphthyridine;thieno[2,3-b]pyrazine;2-(trifluoromethyl)imidazo[1,2-a]pyridine
CID 159079495
1H-benzimidazole;6-chloroimidazo[1,2-a]pyridine;1-(2-chlorophenyl)pyrazole;5-(1,1-difluoroethyl)-1-methylpyrazole;2,3-dihydro-1H-benzo[de]isoquinoline;2,3-dihydro-1H-indole;1,5-dimethylimidazole;1-(3,4-dimethylphenyl)pyrazole;3,5-dimethylpyridine;1-(2-fluorophenyl)pyrazole;1-(3-fluorophenyl)pyrazole;methane;2-methoxypyridine;3-methoxypyridine;5-methyl-3-phenyl-1,2,4-oxadiazole;1-(4-methylphenyl)pyrazole;1,6-naphthyridine;1-propylpyrazole;5-pyridin-3-yl-1,2,4-oxadiazole;quinoline;5,6,7,8-tetrahydro-1,6-naphthyridine;thieno[2,3-b]pyrazine;2-(trifluoromethyl)imidazo[1,2-a]pyridine;5-(trifluoromethyl)-1H-pyrazole
CID 160134942
2-[4-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)anilino]-6-(2-methylphenoxy)-8-[(1-pyridin-4-ylpyrrol-2-yl)methyl]pyrido[2,3-d]pyrimidin-7-one;6-(2-chloro-4-methylphenyl)-8-[[2-(oxan-4-yl)pyrazol-3-yl]methyl]-2-[4-piperazin-1-yl-3-(trifluoromethyl)anilino]pyrido[2,3-d]pyrimidin-7-one;2-(3-chloro-4-piperazin-1-ylanilino)-6-(N-methylanilino)-8-[(5-methyl-2-pyrrolidin-3-ylthiophen-3-yl)methyl]pyrido[2,3-d]pyrimidin-7-one;2-[4-[(3R,5S)-3,5-dimethylpiperazin-1-yl]-3-fluoroanilino]-6-[1-(oxan-4-yl)ethenyl]-8-[[2-(1,3-thiazol-2-yl)furan-3-yl]methyl]pyrido[2,3-d]pyrimidin-7-one
CID 160245285
3-(1,3-benzoxazol-2-yl)-1-[1-(1H-indol-5-ylmethyl)piperidin-4-yl]propan-1-one;1-[1-[(5-chloro-1H-indol-3-yl)methyl]piperidin-4-yl]-3-pyrazin-2-ylpropan-1-one;3-(5,6-difluoro-1H-benzimidazol-2-yl)-1-[1-(1H-indol-5-ylmethyl)piperidin-4-yl]propan-1-one;1-[1-(1H-indol-5-ylmethyl)piperidin-4-yl]-3-(1-methylbenzimidazol-2-yl)propan-1-one;1-[1-(1H-indol-5-ylmethyl)piperidin-4-yl]-3-(1,3-thiazol-2-yl)propan-1-one;[1-(1H-indol-5-ylmethyl)piperidin-4-yl]-[2-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]methanone;1-[1-[(5-methyl-1H-indol-3-yl)methyl]piperidin-4-yl]-3-(1,3-thiazol-5-yl)propan-1-one;[1-[(5-methyl-1H-indol-3-yl)methyl]piperidin-4-yl]-[2-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]methanone
CID 160394205
1H-benzimidazol-2-yl-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;1,3-benzothiazol-2-yl-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;1,3-benzoxazol-2-yl-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;(6-chloro-2-methylimidazo[1,2-b]pyridazin-3-yl)-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;imidazo[1,2-b]pyridazin-6-yl-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;1H-imidazo[4,5-b]pyridin-2-yl-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;1H-indol-3-yl-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone
CID 160673149
1H-benzimidazole;1-(2-chlorophenyl)pyrazole;2,3-dihydro-1H-benzo[de]isoquinoline;2,3-dihydro-1H-indole;1-(3,4-dimethylphenyl)pyrazole;3,5-dimethylpyridine;1-(2-fluorophenyl)pyrazole;1-(3-fluorophenyl)pyrazole;1-(4-fluorophenyl)pyrazole;2-(1H-imidazol-5-yl)pyridine;3-(1H-imidazol-5-yl)pyridine;4-(1H-imidazol-5-yl)pyridine;2-methoxypyridine;3-methoxypyridine;5-methyl-3-phenyl-1,2,4-oxadiazole;1,6-naphthyridine;5-pyridin-3-yl-1,2,4-oxadiazole;3-pyridin-3-yl-1,2-oxazole;quinoline;5,6,7,8-tetrahydro-1,6-naphthyridine;thieno[2,3-b]pyrazine;2-(trifluoromethyl)imidazo[1,2-a]pyridine
CID 161894380
1H-benzimidazol-2-yl-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;1,3-benzothiazol-2-yl-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;1,3-benzoxazol-2-yl-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;(6-chloro-2-methylimidazo[1,2-b]pyridazin-3-yl)-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;imidazo[1,2-b]pyridazin-6-yl-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;1H-imidazo[4,5-b]pyridin-2-yl-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;1H-indol-3-yl-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;pyridin-3-yl-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone
CID 162116184
6-chloro-2-methyl-1-benzothiophene;3-chloro-6-methyl-1H-indole;5-chloro-2-methyl-1H-indole;3-chloro-6-methyl-1H-pyrrolo[2,3-b]pyridine;5-chloro-2-methyl-1H-pyrrolo[2,3-b]pyridine;3-chloro-6-methyl-1H-pyrrolo[3,2-c]pyridine;2-chloro-6-methylquinoline;7-chloro-3-methylquinoline;6-chloro-2-methylthieno[2,3-b]pyridine;6-chloro-2-methylthieno[3,2-b]pyridine;3,5-dichloro-2-methylthiophene;3,6-dimethyl-1H-indole;6-methyl-7H-cyclopenta[c]pyridin-1-amine;2-methylfuro[2,3-c]pyridin-7-amine;2-methylfuro[3,2-c]pyridin-4-amine;2-methyl-1H-imidazo[4,5-c]pyridin-4-amine;5-methyl-1H-indazole;5-methyl-3H-indazole;6-methyl-1H-isoindole;2-methyl-1H-pyrrolo[3,2-c]pyridin-4-amine;2-methylthieno[2,3-c]pyridin-7-amine;2-methylthieno[3,2-c]pyridin-4-amine
CID 157094208
1-[6-amino-3-(7-chloro-1,3-benzothiazol-5-yl)-5-cyclopropylpyrazin-2-yl]pyridin-2-one;5-(7-chloro-3H-benzimidazol-5-yl)-3-cyclobutyl-6-(5-methyl-1,3-thiazol-2-yl)pyrazin-2-amine;5-(7-chloro-1,2-benzoxazol-5-yl)-3-cyclobutyl-6-(3-methylpyrazol-1-yl)pyrazin-2-amine;5-(7-chloro-1,3-benzoxazol-5-yl)-3-cyclopentyl-6-(1-methylpyrazol-3-yl)pyrazin-2-amine;5-(8-chloroquinolin-6-yl)-3-cyclopropyl-6-(5-methylfuran-2-yl)pyrazin-2-amine
CID 157127258
6-(1,3-benzoxazol-6-yl)-7-(2-methyl-1,3-thiazol-5-yl)-1H-1,8-naphthyridin-4-one;6-(1,3-benzoxazol-6-yl)-7-(5-methylthiophen-2-yl)-1H-1,8-naphthyridin-4-one;6-(4-chloro-1,3-benzoxazol-6-yl)-7-(5-methylfuran-2-yl)-1H-1,8-naphthyridin-4-one;6-(4-chloro-1,3-benzoxazol-6-yl)-7-(1-methylpyrazol-3-yl)-1H-1,8-naphthyridin-4-one;6-(4-chloro-1,3-benzoxazol-6-yl)-7-(3-methylpyrazol-1-yl)-1H-1,8-naphthyridin-4-one;6-(4-chloro-1,3-benzoxazol-6-yl)-7-(5-methylthiophen-2-yl)-1H-1,8-naphthyridin-4-one
CID 157220260

Frequently Asked Questions

What is the IUPAC name of 6-[5-amino-6-chloro-3-(1-methylimidazol-4-yl)pyrazin-2-yl]-8-chloro-1H-quinolin-2-one;6-[5-amino-3-(3-methylpyrazol-1-yl)-6-(trifluoromethyl)pyrazin-2-yl]-1H-quinolin-4-one;5-(7-chloro-3H-benzimidazol-5-yl)-6-(3-methylpyrazol-1-yl)-3-(trifluoromethoxy)pyrazin-2-amine;3-chloro-5-(8-chloroquinolin-6-yl)-6-(5-methyl-1,3-thiazol-2-yl)pyrazin-2-amine;3-fluoro-6-(5-methylfuran-2-yl)-5-quinolin-6-ylpyrazin-2-amine?
The IUPAC name of 6-[5-amino-6-chloro-3-(1-methylimidazol-4-yl)pyrazin-2-yl]-8-chloro-1H-quinolin-2-one;6-[5-amino-3-(3-methylpyrazol-1-yl)-6-(trifluoromethyl)pyrazin-2-yl]-1H-quinolin-4-one;5-(7-chloro-3H-benzimidazol-5-yl)-6-(3-methylpyrazol-1-yl)-3-(trifluoromethoxy)pyrazin-2-amine;3-chloro-5-(8-chloroquinolin-6-yl)-6-(5-methyl-1,3-thiazol-2-yl)pyrazin-2-amine;3-fluoro-6-(5-methylfuran-2-yl)-5-quinolin-6-ylpyrazin-2-amine (CID 157085973) is 6-[5-amino-6-chloro-3-(1-methylimidazol-4-yl)pyrazin-2-yl]-8-chloro-1H-quinolin-2-one;6-[5-amino-3-(3-methylpyrazol-1-yl)-6-(trifluoromethyl)pyrazin-2-yl]-1H-quinolin-4-one;5-(7-chloro-3H-benzimidazol-5-yl)-6-(3-methylpyrazol-1-yl)-3-(trifluoromethoxy)pyrazin-2-amine;3-chloro-5-(8-chloroquinolin-6-yl)-6-(5-methyl-1,3-thiazol-2-yl)pyrazin-2-amine;3-fluoro-6-(5-methylfuran-2-yl)-5-quinolin-6-ylpyrazin-2-amine.
What is the SMILES notation for 6-[5-amino-6-chloro-3-(1-methylimidazol-4-yl)pyrazin-2-yl]-8-chloro-1H-quinolin-2-one;6-[5-amino-3-(3-methylpyrazol-1-yl)-6-(trifluoromethyl)pyrazin-2-yl]-1H-quinolin-4-one;5-(7-chloro-3H-benzimidazol-5-yl)-6-(3-methylpyrazol-1-yl)-3-(trifluoromethoxy)pyrazin-2-amine;3-chloro-5-(8-chloroquinolin-6-yl)-6-(5-methyl-1,3-thiazol-2-yl)pyrazin-2-amine;3-fluoro-6-(5-methylfuran-2-yl)-5-quinolin-6-ylpyrazin-2-amine?
The canonical SMILES for 6-[5-amino-6-chloro-3-(1-methylimidazol-4-yl)pyrazin-2-yl]-8-chloro-1H-quinolin-2-one;6-[5-amino-3-(3-methylpyrazol-1-yl)-6-(trifluoromethyl)pyrazin-2-yl]-1H-quinolin-4-one;5-(7-chloro-3H-benzimidazol-5-yl)-6-(3-methylpyrazol-1-yl)-3-(trifluoromethoxy)pyrazin-2-amine;3-chloro-5-(8-chloroquinolin-6-yl)-6-(5-methyl-1,3-thiazol-2-yl)pyrazin-2-amine;3-fluoro-6-(5-methylfuran-2-yl)-5-quinolin-6-ylpyrazin-2-amine is Cc1ccc(-c2nc(N)c(F)nc2-c2ccc3ncccc3c2)o1.Cc1ccn(-c2nc(N)c(C(F)(F)F)nc2-c2ccc3[nH]ccc(=O)c3c2)n1.Cc1ccn(-c2nc(N)c(OC(F)(F)F)nc2-c2cc(Cl)c3nc[nH]c3c2)n1.Cc1cnc(-c2nc(N)c(Cl)nc2-c2cc(Cl)c3ncccc3c2)s1.Cn1cnc(-c2nc(N)c(Cl)nc2-c2cc(Cl)c3[nH]c(=O)ccc3c2)c1.
What is the InChIKey of 6-[5-amino-6-chloro-3-(1-methylimidazol-4-yl)pyrazin-2-yl]-8-chloro-1H-quinolin-2-one;6-[5-amino-3-(3-methylpyrazol-1-yl)-6-(trifluoromethyl)pyrazin-2-yl]-1H-quinolin-4-one;5-(7-chloro-3H-benzimidazol-5-yl)-6-(3-methylpyrazol-1-yl)-3-(trifluoromethoxy)pyrazin-2-amine;3-chloro-5-(8-chloroquinolin-6-yl)-6-(5-methyl-1,3-thiazol-2-yl)pyrazin-2-amine;3-fluoro-6-(5-methylfuran-2-yl)-5-quinolin-6-ylpyrazin-2-amine?
The InChIKey is AEBZCQICRDYYEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13F3N6O.C18H13FN4O.C17H12Cl2N6O.C17H11Cl2N5S.C16H11ClF3N7O/c1-9-5-7-27(26-9)17-14(24-15(16(22)25-17)18(19,20)21)10-2-3-12-11(8-10)13(28)4-6-23-12;1-10-4-7-14(24-10)16-15(22-17(19)18(20)23-16)12-5-6-13-11(9-12)3-2-8-21-13;1-25-6-11(21-7-25)15-14(23-16(19)17(20)24-15)9-4-8-2-3-12(26)22-13(8)10(18)5-9;1-8-7-22-17(25-8)14-13(23-15(19)16(20)24-14)10-5-9-3-2-4-21-12(9)11(18)6-10;1-7-2-3-27(26-7)14-11(24-15(13(21)25-14)28-16(18,19)20)8-4-9(17)12-10(5-8)22-6-23-12/h2-8H,1H3,(H2,22,25)(H,23,28);2-9H,1H3,(H2,20,23);2-7H,1H3,(H2,20,24)(H,22,26);2-7H,1H3,(H2,20,24);2-6H,1H3,(H2,21,25)(H,22,23).
What are the key properties of 6-[5-amino-6-chloro-3-(1-methylimidazol-4-yl)pyrazin-2-yl]-8-chloro-1H-quinolin-2-one;6-[5-amino-3-(3-methylpyrazol-1-yl)-6-(trifluoromethyl)pyrazin-2-yl]-1H-quinolin-4-one;5-(7-chloro-3H-benzimidazol-5-yl)-6-(3-methylpyrazol-1-yl)-3-(trifluoromethoxy)pyrazin-2-amine;3-chloro-5-(8-chloroquinolin-6-yl)-6-(5-methyl-1,3-thiazol-2-yl)pyrazin-2-amine;3-fluoro-6-(5-methylfuran-2-yl)-5-quinolin-6-ylpyrazin-2-amine?
6-[5-amino-6-chloro-3-(1-methylimidazol-4-yl)pyrazin-2-yl]-8-chloro-1H-quinolin-2-one;6-[5-amino-3-(3-methylpyrazol-1-yl)-6-(trifluoromethyl)pyrazin-2-yl]-1H-quinolin-4-one;5-(7-chloro-3H-benzimidazol-5-yl)-6-(3-methylpyrazol-1-yl)-3-(trifluoromethoxy)pyrazin-2-amine;3-chloro-5-(8-chloroquinolin-6-yl)-6-(5-methyl-1,3-thiazol-2-yl)pyrazin-2-amine;3-fluoro-6-(5-methylfuran-2-yl)-5-quinolin-6-ylpyrazin-2-amine has a molecular weight of 1891.94 g/mol, XLogP of 19.00, 11 rotatable bonds, 8 hydrogen bond donors, and 30 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[5-amino-6-chloro-3-(1-methylimidazol-4-yl)pyrazin-2-yl]-8-chloro-1H-quinolin-2-one;6-[5-amino-3-(3-methylpyrazol-1-yl)-6-(trifluoromethyl)pyrazin-2-yl]-1H-quinolin-4-one;5-(7-chloro-3H-benzimidazol-5-yl)-6-(3-methylpyrazol-1-yl)-3-(trifluoromethoxy)pyrazin-2-amine;3-chloro-5-(8-chloroquinolin-6-yl)-6-(5-methyl-1,3-thiazol-2-yl)pyrazin-2-amine;3-fluoro-6-(5-methylfuran-2-yl)-5-quinolin-6-ylpyrazin-2-amine is sourced from PubChem (CID 157085973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).