5-(1-benzofuran-2-yl)-6-[methyl(propan-2-yl)amino]-[1,3]thiazolo[4,5-b]pyrazine-2-carboxylic acid;5-cyclohexyl-6-[methyl(propan-2-yl)amino]-[1,3]thiazolo[4,5-b]pyrazine-2-carboxylic acid;6-(3,4-dihydro-2H-quinolin-1-yl)-5-(4-fluorophenyl)-[1,3]thiazolo[4,5-b]pyrazine-2-carboxylic acid;6-[methyl(propan-2-yl)amino]-5-naphthalen-2-yl-[1,3]thiazolo[4,5-b]pyrazine-2-carboxylic acid;6-[methyl(propan-2-yl)amino]-5-pyridin-3-yl-[1,3]thiazolo[4,5-b]pyrazine-2-carboxylic acid;6-[methyl(propan-2-yl)amino]-5-thiophen-2-yl-[1,3]thiazolo[4,5-b]pyrazine-2-carboxylic acid;6-piperidin-1-yl-5-propan-2-yl-[1,3]thiazolo[4,5-b]pyrazine-2-carboxylic acid

C118H118FN29O15S8 — CID 161112097

IUPAC5-(1-benzofuran-2-yl)-6-[methyl(propan-2-yl)amino]-[1,3]thiazolo[4,5-b]pyrazine-2-carboxylic acid;5-cyclohexyl-6-[methyl(propan-2-yl)amino]-[1,3]thiazolo[4,5-b]pyrazine-2-carboxylic acid;6-(3,4-dihydro-2H-quinolin-1-yl)-5-(4-fluorophenyl)-[1,3]thiazolo[4,5-b]pyrazine-2-carboxylic acid;6-[methyl(propan-2-yl)amino]-5-naphthalen-2-yl-[1,3]thiazolo[4,5-b]pyrazine-2-carboxylic acid;6-[methyl(propan-2-yl)amino]-5-pyridin-3-yl-[1,3]thiazolo[4,5-b]pyrazine-2-carboxylic acid;6-[methyl(propan-2-yl)amino]-5-thiophen-2-yl-[1,3]thiazolo[4,5-b]pyrazine-2-carboxylic acid;6-piperidin-1-yl-5-propan-2-yl-[1,3]thiazolo[4,5-b]pyrazine-2-carboxylic acid
SMILESCC(C)N(C)c1nc2sc(C(=O)O)nc2nc1-c1cc2ccccc2o1.CC(C)N(C)c1nc2sc(C(=O)O)nc2nc1-c1ccc2ccccc2c1.CC(C)N(C)c1nc2sc(C(=O)O)nc2nc1-c1cccnc1.CC(C)N(C)c1nc2sc(C(=O)O)nc2nc1-c1cccs1.CC(C)N(C)c1nc2sc(C(=O)O)nc2nc1C1CCCCC1.CC(C)c1nc2nc(C(=O)O)sc2nc1N1CCCCC1.O=C(O)c1nc2nc(-c3ccc(F)cc3)c(N3CCCc4ccccc43)nc2s1
InChIInChI=1S/C21H15FN4O2S.C20H18N4O2S.C18H16N4O3S.C16H22N4O2S.C15H15N5O2S.C14H14N4O2S2.C14H18N4O2S/c22-14-9-7-13(8-10-14)16-18(25-19-17(23-16)24-20(29-19)21(27)28)26-11-3-5-12-4-1-2-6-15(12)26;1-11(2)24(3)17-15(14-9-8-12-6-4-5-7-13(12)10-14)21-16-18(23-17)27-19(22-16)20(25)26;1-9(2)22(3)15-13(12-8-10-6-4-5-7-11(10)25-12)19-14-16(21-15)26-17(20-14)18(23)24;1-9(2)20(3)13-11(10-7-5-4-6-8-10)17-12-14(19-13)23-15(18-12)16(21)22;1-8(2)20(3)12-10(9-5-4-6-16-7-9)17-11-13(19-12)23-14(18-11)15(21)22;1-7(2)18(3)11-9(8-5-4-6-21-8)15-10-12(17-11)22-13(16-10)14(19)20;1-8(2)9-11(18-6-4-3-5-7-18)17-12-10(15-9)16-13(21-12)14(19)20/h1-2,4,6-10H,3,5,11H2,(H,27,28);4-11H,1-3H3,(H,25,26);4-9H,1-3H3,(H,23,24);9-10H,4-8H2,1-3H3,(H,21,22);4-8H,1-3H3,(H,21,22);4-7H,1-3H3,(H,19,20);8H,3-7H2,1-2H3,(H,19,20)
InChIKeyUJVCMLOMMOTALO-UHFFFAOYSA-N
MW2457.96 g/mol
LogP25.79
Rot. Bonds26

About 5-(1-benzofuran-2-yl)-6-[methyl(propan-2-yl)amino]-[1,3]thiazolo[4,5-b]pyrazine-2-carboxylic acid;5-cyclohexyl-6-[methyl(propan-2-yl)amino]-[1,3]thiazolo[4,5-b]pyrazine-2-carboxylic acid;6-(3,4-dihydro-2H-quinolin-1-yl)-5-(4-fluorophenyl)-[1,3]thiazolo[4,5-b]pyrazine-2-carboxylic acid;6-[methyl(propan-2-yl)amino]-5-naphthalen-2-yl-[1,3]thiazolo[4,5-b]pyrazine-2-carboxylic acid;6-[methyl(propan-2-yl)amino]-5-pyridin-3-yl-[1,3]thiazolo[4,5-b]pyrazine-2-carboxylic acid;6-[methyl(propan-2-yl)amino]-5-thiophen-2-yl-[1,3]thiazolo[4,5-b]pyrazine-2-carboxylic acid;6-piperidin-1-yl-5-propan-2-yl-[1,3]thiazolo[4,5-b]pyrazine-2-carboxylic acid

5-(1-benzofuran-2-yl)-6-[methyl(propan-2-yl)amino]-[1,3]thiazolo[4,5-b]pyrazine-2-carboxylic acid;5-cyclohexyl-6-[methyl(propan-2-yl)amino]-[1,3]thiazolo[4,5-b]pyrazine-2-carboxylic acid;6-(3,4-dihydro-2H-quinolin-1-yl)-5-(4-fluorophenyl)-[1,3]thiazolo[4,5-b]pyrazine-2-carboxylic acid;6-[methyl(propan-2-yl)amino]-5-naphthalen-2-yl-[1,3]thiazolo[4,5-b]pyrazine-2-carboxylic acid;6-[methyl(propan-2-yl)amino]-5-pyridin-3-yl-[1,3]thiazolo[4,5-b]pyrazine-2-carboxylic acid;6-[methyl(propan-2-yl)amino]-5-thiophen-2-yl-[1,3]thiazolo[4,5-b]pyrazine-2-carboxylic acid;6-piperidin-1-yl-5-propan-2-yl-[1,3]thiazolo[4,5-b]pyrazine-2-carboxylic acid (PubChem CID 161112097) has the molecular formula C118H118FN29O15S8 and a molecular weight of 2457.96 g/mol. Its IUPAC name is 5-(1-benzofuran-2-yl)-6-[methyl(propan-2-yl)amino]-[1,3]thiazolo[4,5-b]pyrazine-2-carboxylic acid;5-cyclohexyl-6-[methyl(propan-2-yl)amino]-[1,3]thiazolo[4,5-b]pyrazine-2-carboxylic acid;6-(3,4-dihydro-2H-quinolin-1-yl)-5-(4-fluorophenyl)-[1,3]thiazolo[4,5-b]pyrazine-2-carboxylic acid;6-[methyl(propan-2-yl)amino]-5-naphthalen-2-yl-[1,3]thiazolo[4,5-b]pyrazine-2-carboxylic acid;6-[methyl(propan-2-yl)amino]-5-pyridin-3-yl-[1,3]thiazolo[4,5-b]pyrazine-2-carboxylic acid;6-[methyl(propan-2-yl)amino]-5-thiophen-2-yl-[1,3]thiazolo[4,5-b]pyrazine-2-carboxylic acid;6-piperidin-1-yl-5-propan-2-yl-[1,3]thiazolo[4,5-b]pyrazine-2-carboxylic acid.

Molecular Properties

Compound Name5-(1-benzofuran-2-yl)-6-[methyl(propan-2-yl)amino]-[1,3]thiazolo[4,5-b]pyrazine-2-carboxylic acid;5-cyclohexyl-6-[methyl(propan-2-yl)amino]-[1,3]thiazolo[4,5-b]pyrazine-2-carboxylic acid;6-(3,4-dihydro-2H-quinolin-1-yl)-5-(4-fluorophenyl)-[1,3]thiazolo[4,5-b]pyrazine-2-carboxylic acid;6-[methyl(propan-2-yl)amino]-5-naphthalen-2-yl-[1,3]thiazolo[4,5-b]pyrazine-2-carboxylic acid;6-[methyl(propan-2-yl)amino]-5-pyridin-3-yl-[1,3]thiazolo[4,5-b]pyrazine-2-carboxylic acid;6-[methyl(propan-2-yl)amino]-5-thiophen-2-yl-[1,3]thiazolo[4,5-b]pyrazine-2-carboxylic acid;6-piperidin-1-yl-5-propan-2-yl-[1,3]thiazolo[4,5-b]pyrazine-2-carboxylic acid
PubChem CID161112097
Molecular FormulaC118H118FN29O15S8
Molecular Weight2457.96 g/mol
Exact Mass2455.71
IUPAC Name5-(1-benzofuran-2-yl)-6-[methyl(propan-2-yl)amino]-[1,3]thiazolo[4,5-b]pyrazine-2-carboxylic acid;5-cyclohexyl-6-[methyl(propan-2-yl)amino]-[1,3]thiazolo[4,5-b]pyrazine-2-carboxylic acid;6-(3,4-dihydro-2H-quinolin-1-yl)-5-(4-fluorophenyl)-[1,3]thiazolo[4,5-b]pyrazine-2-carboxylic acid;6-[methyl(propan-2-yl)amino]-5-naphthalen-2-yl-[1,3]thiazolo[4,5-b]pyrazine-2-carboxylic acid;6-[methyl(propan-2-yl)amino]-5-pyridin-3-yl-[1,3]thiazolo[4,5-b]pyrazine-2-carboxylic acid;6-[methyl(propan-2-yl)amino]-5-thiophen-2-yl-[1,3]thiazolo[4,5-b]pyrazine-2-carboxylic acid;6-piperidin-1-yl-5-propan-2-yl-[1,3]thiazolo[4,5-b]pyrazine-2-carboxylic acid
SMILESCC(C)N(C)c1nc2sc(C(=O)O)nc2nc1-c1cc2ccccc2o1.CC(C)N(C)c1nc2sc(C(=O)O)nc2nc1-c1ccc2ccccc2c1.CC(C)N(C)c1nc2sc(C(=O)O)nc2nc1-c1cccnc1.CC(C)N(C)c1nc2sc(C(=O)O)nc2nc1-c1cccs1.CC(C)N(C)c1nc2sc(C(=O)O)nc2nc1C1CCCCC1.CC(C)c1nc2nc(C(=O)O)sc2nc1N1CCCCC1.O=C(O)c1nc2nc(-c3ccc(F)cc3)c(N3CCCc4ccccc43)nc2s1
InChIInChI=1S/C21H15FN4O2S.C20H18N4O2S.C18H16N4O3S.C16H22N4O2S.C15H15N5O2S.C14H14N4O2S2.C14H18N4O2S/c22-14-9-7-13(8-10-14)16-18(25-19-17(23-16)24-20(29-19)21(27)28)26-11-3-5-12-4-1-2-6-15(12)26;1-11(2)24(3)17-15(14-9-8-12-6-4-5-7-13(12)10-14)21-16-18(23-17)27-19(22-16)20(25)26;1-9(2)22(3)15-13(12-8-10-6-4-5-7-11(10)25-12)19-14-16(21-15)26-17(20-14)18(23)24;1-9(2)20(3)13-11(10-7-5-4-6-8-10)17-12-14(19-13)23-15(18-12)16(21)22;1-8(2)20(3)12-10(9-5-4-6-16-7-9)17-11-13(19-12)23-14(18-11)15(21)22;1-7(2)18(3)11-9(8-5-4-6-21-8)15-10-12(17-11)22-13(16-10)14(19)20;1-8(2)9-11(18-6-4-3-5-7-18)17-12-10(15-9)16-13(21-12)14(19)20/h1-2,4,6-10H,3,5,11H2,(H,27,28);4-11H,1-3H3,(H,25,26);4-9H,1-3H3,(H,23,24);9-10H,4-8H2,1-3H3,(H,21,22);4-8H,1-3H3,(H,21,22);4-7H,1-3H3,(H,19,20);8H,3-7H2,1-2H3,(H,19,20)
InChIKeyUJVCMLOMMOTALO-UHFFFAOYSA-N
XLogP25.79
TPSA580.50 Ų
H-Bond Donors7
H-Bond Acceptors45
Rotatable Bonds26
Heavy Atoms171
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002457.96
LogP ≤ 525.79
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 1045

Analyze 5-(1-benzofuran-2-yl)-6-[methyl(propan-2-yl)amino]-[1,3]thiazolo[4,5-b]pyrazine-2-carboxylic acid;5-cyclohexyl-6-[methyl(propan-2-yl)amino]-[1,3]thiazolo[4,5-b]pyrazine-2-carboxylic acid;6-(3,4-dihydro-2H-quinolin-1-yl)-5-(4-fluorophenyl)-[1,3]thiazolo[4,5-b]pyrazine-2-carboxylic acid;6-[methyl(propan-2-yl)amino]-5-naphthalen-2-yl-[1,3]thiazolo[4,5-b]pyrazine-2-carboxylic acid;6-[methyl(propan-2-yl)amino]-5-pyridin-3-yl-[1,3]thiazolo[4,5-b]pyrazine-2-carboxylic acid;6-[methyl(propan-2-yl)amino]-5-thiophen-2-yl-[1,3]thiazolo[4,5-b]pyrazine-2-carboxylic acid;6-piperidin-1-yl-5-propan-2-yl-[1,3]thiazolo[4,5-b]pyrazine-2-carboxylic acid with MolForge

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Launch Full Analysis

Related Compounds

2-(1-benzothiophen-2-yl)pyridine;2-[3,5-bis(trifluoromethyl)phenyl]pyridine;2-(2,4-difluorophenyl)-N,N-dimethylpyridin-4-amine;2-(2,4-difluorophenyl)-4-methoxypyridine;2-(2,4-difluorophenyl)pyridine;4,7-diphenylbenzo[h]quinoline;9-ethyl-2-(1-phenylbenzimidazol-2-yl)carbazole;2-(5-methylthiophen-2-yl)pyridine;2-naphthalen-1-yl-1,3-benzoxazole;2-phenyl-1,3-benzothiazole;bis(2-phenylpyridine);2-thiophen-2-yl-5-(trifluoromethyl)pyridine
CID 160694799
2-[6-[5-methyl-2-[(2-methyl-3,4-dihydro-1H-isoquinolin-6-yl)methoxy]phenyl]-2-pyridinyl]-3-(trifluoromethyl)imidazole-4-carboxylic acid;2-[6-[5-methyl-2-[(2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)methoxy]phenyl]-2-pyridinyl]-3-(trifluoromethyl)imidazole-4-carboxylic acid;3-methyl-4-[6-[5-methyl-2-[[2-[(4-methyl-1,3-thiazol-2-yl)methyl]-3,4-dihydro-1H-isoquinolin-6-yl]methoxy]phenyl]-2-pyridinyl]thiophene-2-carboxylic acid;3-methyl-4-[6-[5-methyl-2-[[2-(oxolan-3-ylmethyl)-3,4-dihydro-1H-isoquinolin-6-yl]methoxy]phenyl]-2-pyridinyl]thiophene-2-carboxylic acid
CID 162084869
4-[8-amino-1-(4-methyl-1-benzofuran-2-yl)imidazo[1,5-a]pyrazin-3-yl]-N,N-dimethylpiperidine-1-carboxamide;4-[8-amino-1-(7-methyl-1-benzothiophen-2-yl)imidazo[1,5-a]pyrazin-3-yl]cyclohexane-1-carboxamide;[4-[8-amino-1-[7-(1,3-thiazol-2-yl)-1H-indol-2-yl]imidazo[1,5-a]pyrazin-3-yl]cyclohexyl]methanol
CID 91153354
4-[8-amino-1-(4-methyl-1-benzofuran-2-yl)imidazo[1,5-a]pyrazin-3-yl]-N,N-dimethylpiperidine-1-carboxamide;4-[8-amino-1-(7-methyl-1-benzothiophen-2-yl)imidazo[1,5-a]pyrazin-3-yl]cyclohexane-1-carboxamide;4-[8-amino-1-[7-(1,3-thiazol-2-yl)-1H-indol-2-yl]imidazo[1,5-a]pyrazin-3-yl]cyclohexane-1-carboxylic acid;[4-[8-amino-1-[7-(1,3-thiazol-2-yl)-1H-indol-2-yl]imidazo[1,5-a]pyrazin-3-yl]cyclohexyl]methanol
CID 91229474
4-[8-amino-1-(4-methyl-1-benzofuran-2-yl)imidazo[1,5-a]pyrazin-3-yl]-N,N-dimethylpiperidine-1-carboxamide;4-[8-amino-1-(7-oxo-1,6-dihydropyrrolo[2,3-c]pyridin-2-yl)imidazo[1,5-a]pyrazin-3-yl]cyclohexane-1-carboxylic acid;N-[[4-[8-amino-1-(1H-pyrrolo[2,3-b]pyridin-2-yl)imidazo[1,5-a]pyrazin-3-yl]cyclohexyl]methyl]acetamide;[4-[8-amino-1-[7-(1,3-thiazol-2-yl)-1H-indol-2-yl]imidazo[1,5-a]pyrazin-3-yl]cyclohexyl]methanol
CID 91539982
8-[17-([1]Benzofuro[3,2-b]pyridin-8-yl)-3,5,16,18-tetrazatetracyclo[12.4.0.02,7.08,13]octadeca-1(18),2,4,6,8,10,12,14,16-nonaen-4-yl]-6-[6-[17-[8-[6-[17-([1]benzothiolo[2,3-c]pyridin-6-yl)-3,5,16,18-tetrazatetracyclo[12.4.0.02,7.08,13]octadeca-1(18),2,4,6,8,10,12,14,16-nonaen-4-yl]-[1]benzothiolo[2,3-c]pyridin-8-yl]-[1]benzothiolo[2,3-b]pyridin-6-yl]-3,5,16,18-tetrazatetracyclo[12.4.0.02,7.08,13]octadeca-1(18),2,4,6,8,10,12,14,16-nonaen-4-yl]-[1]benzothiolo[2,3-b]pyridin-8-yl]-[1]benzofuro[3,2-b]pyridine
CID 139484280
2-(3H-dibenzofuran-3-id-4-yl)pyridine;3-[1-(2,6-dicyclohexyl-4-methylphenyl)imidazol-2-yl]-N-[3-[1-(2,6-dicyclohexyl-4-phenylphenyl)imidazol-2-yl]benzene-2-id-1-yl]-N-phenylbenzene-2-id-1-amine;3-(2,6-dicyclohexylphenyl)-11-[(9-phenyl-1H-carbazol-1-id-2-yl)oxy]-12H-imidazo[1,2-f]phenanthridin-12-ide;2-(3,5-dimethylbenzene-6-id-1-yl)-5-(2,6-dimethylphenyl)-3-(3,5-dimethylphenyl)pyrazine;1-[2,6-di(propan-2-yl)phenyl]-2-phenylimidazole;6-hydroxy-2,8-dimethylnon-5-en-4-one;4-hydroxypent-3-en-2-one;tris(iridium);4-phenylthieno[2,3-d]pyrimidine;platinum;platinum(2+)
CID 157067405
4-Dibenzofuran-3-yl-2,7-diphenyl-[1]benzothiolo[3,2-d]pyrimidine;2-(4-dibenzofuran-4-ylphenyl)-4-(4-phenylphenyl)quinazoline;2-(4-dibenzofuran-4-ylphenyl)-3-phenylquinoxaline;6-dibenzofuran-3-yl-4-phenyl-8-thia-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;13,15-diphenyl-17-oxa-12,14-diazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,11(16),12,14-octaene;4,6-diphenyl-2-(4-phenylphenyl)pyrido[3,2-d]pyrimidine;4,7-diphenyl-2-(4-phenylphenyl)pyrido[2,3-d]pyrimidine;2-naphtho[1,2-b][1]benzofuran-7-yl-4,6-diphenyl-1,3,5-triazine;2,4,7-triphenyl-[1]benzothiolo[3,2-d]pyrimidine
CID 157075612
3-(4,6-Dinaphthalen-1-yl-1,3,5-triazin-2-yl)-24-thia-3,8-diazahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4(9),5,7,11,13,15,18,20,22-undecaene;3-(2-phenylquinazolin-4-yl)-24-thia-3,8-diazahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4(9),5,7,11,13,15,18,20,22-undecaene;4-phenyl-2-(24-thia-3,8-diazahexacyclo[15.7.0.02,10.04,9.011,16.018,23]tetracosa-1(17),2(10),4(9),5,7,11,13,15,18,20,22-undecaen-3-yl)-[1]benzofuro[3,2-d]pyrimidine
CID 157151459
2-(3H-dibenzofuran-3-id-4-yl)-1-methylpyridin-1-ium;3-[1-(2,6-dicyclohexyl-4-methylphenyl)imidazol-2-yl]-N-[3-[1-(2,6-dicyclohexyl-4-phenylphenyl)imidazol-2-yl]benzene-2-id-1-yl]-N-phenylbenzene-2-id-1-amine;3-(2,6-dicyclohexylphenyl)-4-aza-1-azoniapentacyclo[13.2.1.04,17.05,10.011,16]octadeca-1(17),2,5,7,9,11,13,15-octaene;3-(2,6-dicyclohexylphenyl)-11-[(9-pyridin-2-yl-1H-carbazol-1-id-2-yl)oxy]-12H-imidazo[1,2-f]phenanthridin-12-ide;1-[2,6-di(propan-2-yl)phenyl]-2-phenylimidazole;4-hydroxypent-3-en-2-one;bis(iridium);4-phenylthieno[2,3-d]pyrimidine;bis(platinum(2+))
CID 157152492
[1]Benzofuro[3,2-d]pyrimidine;[1]benzothiolo[3,2-d]pyrimidine;8-oxa-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaene;8-oxa-3,5,11-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaene;8-oxa-3,5,12-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaene;8-oxa-3,5,13-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaene;pyrimido[4,5-c]isoquinoline;pyrimido[5,4-c]isoquinoline;8-thia-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaene;8-thia-3,5,11-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaene;8-thia-3,5,12-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaene
CID 157167997
2-cyclopropyl-N-(5-fluoro-4,8-dimethyl-2,3-dihydrochromen-4-yl)-4-(methoxymethyl)imidazo[1,5-a]pyrimidine-8-carboxamide;4-(difluoromethyl)-2-methyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)imidazo[1,5-a]pyrimidine-8-carboxamide;2,4-dimethyl-N-(1-methyl-3,4-dihydro-2H-naphthalen-1-yl)imidazo[1,5-a]pyrimidine-8-carboxamide;2,4-dimethyl-N-(6-thiophen-2-yl-3-pyridinyl)imidazo[1,5-a]pyrimidine-8-carboxamide;N-[4-(furan-2-yl)phenyl]-2,4-dimethylimidazo[1,5-a]pyrimidine-8-carboxamide;N-[6-(furan-2-yl)-3-pyridinyl]-2,4-dimethylimidazo[1,5-a]pyrimidine-8-carboxamide;2-methyl-4-propan-2-yl-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]imidazo[1,5-a]pyrimidine-8-carboxamide
CID 157171687

Frequently Asked Questions

What is the IUPAC name of 5-(1-benzofuran-2-yl)-6-[methyl(propan-2-yl)amino]-[1,3]thiazolo[4,5-b]pyrazine-2-carboxylic acid;5-cyclohexyl-6-[methyl(propan-2-yl)amino]-[1,3]thiazolo[4,5-b]pyrazine-2-carboxylic acid;6-(3,4-dihydro-2H-quinolin-1-yl)-5-(4-fluorophenyl)-[1,3]thiazolo[4,5-b]pyrazine-2-carboxylic acid;6-[methyl(propan-2-yl)amino]-5-naphthalen-2-yl-[1,3]thiazolo[4,5-b]pyrazine-2-carboxylic acid;6-[methyl(propan-2-yl)amino]-5-pyridin-3-yl-[1,3]thiazolo[4,5-b]pyrazine-2-carboxylic acid;6-[methyl(propan-2-yl)amino]-5-thiophen-2-yl-[1,3]thiazolo[4,5-b]pyrazine-2-carboxylic acid;6-piperidin-1-yl-5-propan-2-yl-[1,3]thiazolo[4,5-b]pyrazine-2-carboxylic acid?
The IUPAC name of 5-(1-benzofuran-2-yl)-6-[methyl(propan-2-yl)amino]-[1,3]thiazolo[4,5-b]pyrazine-2-carboxylic acid;5-cyclohexyl-6-[methyl(propan-2-yl)amino]-[1,3]thiazolo[4,5-b]pyrazine-2-carboxylic acid;6-(3,4-dihydro-2H-quinolin-1-yl)-5-(4-fluorophenyl)-[1,3]thiazolo[4,5-b]pyrazine-2-carboxylic acid;6-[methyl(propan-2-yl)amino]-5-naphthalen-2-yl-[1,3]thiazolo[4,5-b]pyrazine-2-carboxylic acid;6-[methyl(propan-2-yl)amino]-5-pyridin-3-yl-[1,3]thiazolo[4,5-b]pyrazine-2-carboxylic acid;6-[methyl(propan-2-yl)amino]-5-thiophen-2-yl-[1,3]thiazolo[4,5-b]pyrazine-2-carboxylic acid;6-piperidin-1-yl-5-propan-2-yl-[1,3]thiazolo[4,5-b]pyrazine-2-carboxylic acid (CID 161112097) is 5-(1-benzofuran-2-yl)-6-[methyl(propan-2-yl)amino]-[1,3]thiazolo[4,5-b]pyrazine-2-carboxylic acid;5-cyclohexyl-6-[methyl(propan-2-yl)amino]-[1,3]thiazolo[4,5-b]pyrazine-2-carboxylic acid;6-(3,4-dihydro-2H-quinolin-1-yl)-5-(4-fluorophenyl)-[1,3]thiazolo[4,5-b]pyrazine-2-carboxylic acid;6-[methyl(propan-2-yl)amino]-5-naphthalen-2-yl-[1,3]thiazolo[4,5-b]pyrazine-2-carboxylic acid;6-[methyl(propan-2-yl)amino]-5-pyridin-3-yl-[1,3]thiazolo[4,5-b]pyrazine-2-carboxylic acid;6-[methyl(propan-2-yl)amino]-5-thiophen-2-yl-[1,3]thiazolo[4,5-b]pyrazine-2-carboxylic acid;6-piperidin-1-yl-5-propan-2-yl-[1,3]thiazolo[4,5-b]pyrazine-2-carboxylic acid.
What is the SMILES notation for 5-(1-benzofuran-2-yl)-6-[methyl(propan-2-yl)amino]-[1,3]thiazolo[4,5-b]pyrazine-2-carboxylic acid;5-cyclohexyl-6-[methyl(propan-2-yl)amino]-[1,3]thiazolo[4,5-b]pyrazine-2-carboxylic acid;6-(3,4-dihydro-2H-quinolin-1-yl)-5-(4-fluorophenyl)-[1,3]thiazolo[4,5-b]pyrazine-2-carboxylic acid;6-[methyl(propan-2-yl)amino]-5-naphthalen-2-yl-[1,3]thiazolo[4,5-b]pyrazine-2-carboxylic acid;6-[methyl(propan-2-yl)amino]-5-pyridin-3-yl-[1,3]thiazolo[4,5-b]pyrazine-2-carboxylic acid;6-[methyl(propan-2-yl)amino]-5-thiophen-2-yl-[1,3]thiazolo[4,5-b]pyrazine-2-carboxylic acid;6-piperidin-1-yl-5-propan-2-yl-[1,3]thiazolo[4,5-b]pyrazine-2-carboxylic acid?
The canonical SMILES for 5-(1-benzofuran-2-yl)-6-[methyl(propan-2-yl)amino]-[1,3]thiazolo[4,5-b]pyrazine-2-carboxylic acid;5-cyclohexyl-6-[methyl(propan-2-yl)amino]-[1,3]thiazolo[4,5-b]pyrazine-2-carboxylic acid;6-(3,4-dihydro-2H-quinolin-1-yl)-5-(4-fluorophenyl)-[1,3]thiazolo[4,5-b]pyrazine-2-carboxylic acid;6-[methyl(propan-2-yl)amino]-5-naphthalen-2-yl-[1,3]thiazolo[4,5-b]pyrazine-2-carboxylic acid;6-[methyl(propan-2-yl)amino]-5-pyridin-3-yl-[1,3]thiazolo[4,5-b]pyrazine-2-carboxylic acid;6-[methyl(propan-2-yl)amino]-5-thiophen-2-yl-[1,3]thiazolo[4,5-b]pyrazine-2-carboxylic acid;6-piperidin-1-yl-5-propan-2-yl-[1,3]thiazolo[4,5-b]pyrazine-2-carboxylic acid is CC(C)N(C)c1nc2sc(C(=O)O)nc2nc1-c1cc2ccccc2o1.CC(C)N(C)c1nc2sc(C(=O)O)nc2nc1-c1ccc2ccccc2c1.CC(C)N(C)c1nc2sc(C(=O)O)nc2nc1-c1cccnc1.CC(C)N(C)c1nc2sc(C(=O)O)nc2nc1-c1cccs1.CC(C)N(C)c1nc2sc(C(=O)O)nc2nc1C1CCCCC1.CC(C)c1nc2nc(C(=O)O)sc2nc1N1CCCCC1.O=C(O)c1nc2nc(-c3ccc(F)cc3)c(N3CCCc4ccccc43)nc2s1.
What is the InChIKey of 5-(1-benzofuran-2-yl)-6-[methyl(propan-2-yl)amino]-[1,3]thiazolo[4,5-b]pyrazine-2-carboxylic acid;5-cyclohexyl-6-[methyl(propan-2-yl)amino]-[1,3]thiazolo[4,5-b]pyrazine-2-carboxylic acid;6-(3,4-dihydro-2H-quinolin-1-yl)-5-(4-fluorophenyl)-[1,3]thiazolo[4,5-b]pyrazine-2-carboxylic acid;6-[methyl(propan-2-yl)amino]-5-naphthalen-2-yl-[1,3]thiazolo[4,5-b]pyrazine-2-carboxylic acid;6-[methyl(propan-2-yl)amino]-5-pyridin-3-yl-[1,3]thiazolo[4,5-b]pyrazine-2-carboxylic acid;6-[methyl(propan-2-yl)amino]-5-thiophen-2-yl-[1,3]thiazolo[4,5-b]pyrazine-2-carboxylic acid;6-piperidin-1-yl-5-propan-2-yl-[1,3]thiazolo[4,5-b]pyrazine-2-carboxylic acid?
The InChIKey is UJVCMLOMMOTALO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H15FN4O2S.C20H18N4O2S.C18H16N4O3S.C16H22N4O2S.C15H15N5O2S.C14H14N4O2S2.C14H18N4O2S/c22-14-9-7-13(8-10-14)16-18(25-19-17(23-16)24-20(29-19)21(27)28)26-11-3-5-12-4-1-2-6-15(12)26;1-11(2)24(3)17-15(14-9-8-12-6-4-5-7-13(12)10-14)21-16-18(23-17)27-19(22-16)20(25)26;1-9(2)22(3)15-13(12-8-10-6-4-5-7-11(10)25-12)19-14-16(21-15)26-17(20-14)18(23)24;1-9(2)20(3)13-11(10-7-5-4-6-8-10)17-12-14(19-13)23-15(18-12)16(21)22;1-8(2)20(3)12-10(9-5-4-6-16-7-9)17-11-13(19-12)23-14(18-11)15(21)22;1-7(2)18(3)11-9(8-5-4-6-21-8)15-10-12(17-11)22-13(16-10)14(19)20;1-8(2)9-11(18-6-4-3-5-7-18)17-12-10(15-9)16-13(21-12)14(19)20/h1-2,4,6-10H,3,5,11H2,(H,27,28);4-11H,1-3H3,(H,25,26);4-9H,1-3H3,(H,23,24);9-10H,4-8H2,1-3H3,(H,21,22);4-8H,1-3H3,(H,21,22);4-7H,1-3H3,(H,19,20);8H,3-7H2,1-2H3,(H,19,20).
What are the key properties of 5-(1-benzofuran-2-yl)-6-[methyl(propan-2-yl)amino]-[1,3]thiazolo[4,5-b]pyrazine-2-carboxylic acid;5-cyclohexyl-6-[methyl(propan-2-yl)amino]-[1,3]thiazolo[4,5-b]pyrazine-2-carboxylic acid;6-(3,4-dihydro-2H-quinolin-1-yl)-5-(4-fluorophenyl)-[1,3]thiazolo[4,5-b]pyrazine-2-carboxylic acid;6-[methyl(propan-2-yl)amino]-5-naphthalen-2-yl-[1,3]thiazolo[4,5-b]pyrazine-2-carboxylic acid;6-[methyl(propan-2-yl)amino]-5-pyridin-3-yl-[1,3]thiazolo[4,5-b]pyrazine-2-carboxylic acid;6-[methyl(propan-2-yl)amino]-5-thiophen-2-yl-[1,3]thiazolo[4,5-b]pyrazine-2-carboxylic acid;6-piperidin-1-yl-5-propan-2-yl-[1,3]thiazolo[4,5-b]pyrazine-2-carboxylic acid?
5-(1-benzofuran-2-yl)-6-[methyl(propan-2-yl)amino]-[1,3]thiazolo[4,5-b]pyrazine-2-carboxylic acid;5-cyclohexyl-6-[methyl(propan-2-yl)amino]-[1,3]thiazolo[4,5-b]pyrazine-2-carboxylic acid;6-(3,4-dihydro-2H-quinolin-1-yl)-5-(4-fluorophenyl)-[1,3]thiazolo[4,5-b]pyrazine-2-carboxylic acid;6-[methyl(propan-2-yl)amino]-5-naphthalen-2-yl-[1,3]thiazolo[4,5-b]pyrazine-2-carboxylic acid;6-[methyl(propan-2-yl)amino]-5-pyridin-3-yl-[1,3]thiazolo[4,5-b]pyrazine-2-carboxylic acid;6-[methyl(propan-2-yl)amino]-5-thiophen-2-yl-[1,3]thiazolo[4,5-b]pyrazine-2-carboxylic acid;6-piperidin-1-yl-5-propan-2-yl-[1,3]thiazolo[4,5-b]pyrazine-2-carboxylic acid has a molecular weight of 2457.96 g/mol, XLogP of 25.79, 26 rotatable bonds, 7 hydrogen bond donors, and 45 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1-benzofuran-2-yl)-6-[methyl(propan-2-yl)amino]-[1,3]thiazolo[4,5-b]pyrazine-2-carboxylic acid;5-cyclohexyl-6-[methyl(propan-2-yl)amino]-[1,3]thiazolo[4,5-b]pyrazine-2-carboxylic acid;6-(3,4-dihydro-2H-quinolin-1-yl)-5-(4-fluorophenyl)-[1,3]thiazolo[4,5-b]pyrazine-2-carboxylic acid;6-[methyl(propan-2-yl)amino]-5-naphthalen-2-yl-[1,3]thiazolo[4,5-b]pyrazine-2-carboxylic acid;6-[methyl(propan-2-yl)amino]-5-pyridin-3-yl-[1,3]thiazolo[4,5-b]pyrazine-2-carboxylic acid;6-[methyl(propan-2-yl)amino]-5-thiophen-2-yl-[1,3]thiazolo[4,5-b]pyrazine-2-carboxylic acid;6-piperidin-1-yl-5-propan-2-yl-[1,3]thiazolo[4,5-b]pyrazine-2-carboxylic acid is sourced from PubChem (CID 161112097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).