3-(3-chloro-4-morpholin-4-ylphenyl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine;3-(3-chloro-4-propan-2-yloxyphenyl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine;2,9-dimethylpurin-6-amine;N,9-dimethylpurin-6-amine;3-(3-fluoro-4-morpholin-4-ylphenyl)-N,1-dimethylpyrazolo[3,4-d]pyrimidin-4-amine;4-[3-(3-fluoro-4-propan-2-yloxyphenyl)-1-methylpyrazolo[5,4-d]pyrimidin-4-yl]morpholine;4-[1-methyl-3-(3-methyl-2H-indazol-6-yl)pyrazolo[5,4-d]pyrimidin-4-yl]morpholine;9-methyl-6-(4-methylpiperazin-1-yl)purine;1-methyl-3-(3-methyl-4-propan-2-yloxyphenyl)pyrazolo[3,4-d]pyrimidin-4-amine;4-(9-methylpurin-6-yl)morpholine;N,N,9-trimethylpurin-6-amine

C144H170Cl2F2N60O8 — CID 160657135

IUPAC3-(3-chloro-4-morpholin-4-ylphenyl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine;3-(3-chloro-4-propan-2-yloxyphenyl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine;2,9-dimethylpurin-6-amine;N,9-dimethylpurin-6-amine;3-(3-fluoro-4-morpholin-4-ylphenyl)-N,1-dimethylpyrazolo[3,4-d]pyrimidin-4-amine;4-[3-(3-fluoro-4-propan-2-yloxyphenyl)-1-methylpyrazolo[5,4-d]pyrimidin-4-yl]morpholine;4-[1-methyl-3-(3-methyl-2H-indazol-6-yl)pyrazolo[5,4-d]pyrimidin-4-yl]morpholine;9-methyl-6-(4-methylpiperazin-1-yl)purine;1-methyl-3-(3-methyl-4-propan-2-yloxyphenyl)pyrazolo[3,4-d]pyrimidin-4-amine;4-(9-methylpurin-6-yl)morpholine;N,N,9-trimethylpurin-6-amine
SMILESCC(C)Oc1ccc(-c2nn(C)c3ncnc(N)c23)cc1Cl.CC(C)Oc1ccc(-c2nn(C)c3ncnc(N4CCOCC4)c23)cc1F.CN(C)c1ncnc2c1ncn2C.CN1CCN(c2ncnc3c2ncn3C)CC1.CNc1ncnc2c1c(-c1ccc(N3CCOCC3)c(F)c1)nn2C.CNc1ncnc2c1ncn2C.Cc1[nH]nc2cc(-c3nn(C)c4ncnc(N5CCOCC5)c34)ccc12.Cc1cc(-c2nn(C)c3ncnc(N)c23)ccc1OC(C)C.Cc1nc(N)c2ncn(C)c2n1.Cn1cnc2c(N3CCOCC3)ncnc21.Cn1nc(-c2ccc(N3CCOCC3)c(Cl)c2)c2c(N)ncnc21
InChIInChI=1S/C19H22FN5O2.C18H19N7O.C17H19FN6O.C16H17ClN6O.C16H19N5O.C15H16ClN5O.C11H16N6.C10H13N5O.C8H11N5.2C7H9N5/c1-12(2)27-15-5-4-13(10-14(15)20)17-16-18(24(3)23-17)21-11-22-19(16)25-6-8-26-9-7-25;1-11-13-4-3-12(9-14(13)22-21-11)16-15-17(24(2)23-16)19-10-20-18(15)25-5-7-26-8-6-25;1-19-16-14-15(22-23(2)17(14)21-10-20-16)11-3-4-13(12(18)9-11)24-5-7-25-8-6-24;1-22-16-13(15(18)19-9-20-16)14(21-22)10-2-3-12(11(17)8-10)23-4-6-24-7-5-23;1-9(2)22-12-6-5-11(7-10(12)3)14-13-15(17)18-8-19-16(13)21(4)20-14;1-8(2)22-11-5-4-9(6-10(11)16)13-12-14(17)18-7-19-15(12)21(3)20-13;1-15-3-5-17(6-4-15)11-9-10(12-7-13-11)16(2)8-14-9;1-14-7-13-8-9(14)11-6-12-10(8)15-2-4-16-5-3-15;1-12(2)7-6-8(10-4-9-7)13(3)5-11-6;1-8-6-5-7(10-3-9-6)12(2)4-11-5;1-4-10-6(8)5-7(11-4)12(2)3-9-5/h4-5,10-12H,6-9H2,1-3H3;3-4,9-10H,5-8H2,1-2H3,(H,21,22);3-4,9-10H,5-8H2,1-2H3,(H,19,20,21);2-3,8-9H,4-7H2,1H3,(H2,18,19,20);5-9H,1-4H3,(H2,17,18,19);4-8H,1-3H3,(H2,17,18,19);7-8H,3-6H2,1-2H3;6-7H,2-5H2,1H3;4-5H,1-3H3;3-4H,1-2H3,(H,8,9,10);3H,1-2H3,(H2,8,10,11)
InChIKeyRLEVFVPDAVVIGN-UHFFFAOYSA-N
MW2978.26 g/mol
LogP16.16
Rot. Bonds21

About 3-(3-chloro-4-morpholin-4-ylphenyl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine;3-(3-chloro-4-propan-2-yloxyphenyl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine;2,9-dimethylpurin-6-amine;N,9-dimethylpurin-6-amine;3-(3-fluoro-4-morpholin-4-ylphenyl)-N,1-dimethylpyrazolo[3,4-d]pyrimidin-4-amine;4-[3-(3-fluoro-4-propan-2-yloxyphenyl)-1-methylpyrazolo[5,4-d]pyrimidin-4-yl]morpholine;4-[1-methyl-3-(3-methyl-2H-indazol-6-yl)pyrazolo[5,4-d]pyrimidin-4-yl]morpholine;9-methyl-6-(4-methylpiperazin-1-yl)purine;1-methyl-3-(3-methyl-4-propan-2-yloxyphenyl)pyrazolo[3,4-d]pyrimidin-4-amine;4-(9-methylpurin-6-yl)morpholine;N,N,9-trimethylpurin-6-amine

3-(3-chloro-4-morpholin-4-ylphenyl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine;3-(3-chloro-4-propan-2-yloxyphenyl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine;2,9-dimethylpurin-6-amine;N,9-dimethylpurin-6-amine;3-(3-fluoro-4-morpholin-4-ylphenyl)-N,1-dimethylpyrazolo[3,4-d]pyrimidin-4-amine;4-[3-(3-fluoro-4-propan-2-yloxyphenyl)-1-methylpyrazolo[5,4-d]pyrimidin-4-yl]morpholine;4-[1-methyl-3-(3-methyl-2H-indazol-6-yl)pyrazolo[5,4-d]pyrimidin-4-yl]morpholine;9-methyl-6-(4-methylpiperazin-1-yl)purine;1-methyl-3-(3-methyl-4-propan-2-yloxyphenyl)pyrazolo[3,4-d]pyrimidin-4-amine;4-(9-methylpurin-6-yl)morpholine;N,N,9-trimethylpurin-6-amine (PubChem CID 160657135) has the molecular formula C144H170Cl2F2N60O8 and a molecular weight of 2978.26 g/mol. Its IUPAC name is 3-(3-chloro-4-morpholin-4-ylphenyl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine;3-(3-chloro-4-propan-2-yloxyphenyl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine;2,9-dimethylpurin-6-amine;N,9-dimethylpurin-6-amine;3-(3-fluoro-4-morpholin-4-ylphenyl)-N,1-dimethylpyrazolo[3,4-d]pyrimidin-4-amine;4-[3-(3-fluoro-4-propan-2-yloxyphenyl)-1-methylpyrazolo[5,4-d]pyrimidin-4-yl]morpholine;4-[1-methyl-3-(3-methyl-2H-indazol-6-yl)pyrazolo[5,4-d]pyrimidin-4-yl]morpholine;9-methyl-6-(4-methylpiperazin-1-yl)purine;1-methyl-3-(3-methyl-4-propan-2-yloxyphenyl)pyrazolo[3,4-d]pyrimidin-4-amine;4-(9-methylpurin-6-yl)morpholine;N,N,9-trimethylpurin-6-amine.

Molecular Properties

Compound Name3-(3-chloro-4-morpholin-4-ylphenyl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine;3-(3-chloro-4-propan-2-yloxyphenyl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine;2,9-dimethylpurin-6-amine;N,9-dimethylpurin-6-amine;3-(3-fluoro-4-morpholin-4-ylphenyl)-N,1-dimethylpyrazolo[3,4-d]pyrimidin-4-amine;4-[3-(3-fluoro-4-propan-2-yloxyphenyl)-1-methylpyrazolo[5,4-d]pyrimidin-4-yl]morpholine;4-[1-methyl-3-(3-methyl-2H-indazol-6-yl)pyrazolo[5,4-d]pyrimidin-4-yl]morpholine;9-methyl-6-(4-methylpiperazin-1-yl)purine;1-methyl-3-(3-methyl-4-propan-2-yloxyphenyl)pyrazolo[3,4-d]pyrimidin-4-amine;4-(9-methylpurin-6-yl)morpholine;N,N,9-trimethylpurin-6-amine
PubChem CID160657135
Molecular FormulaC144H170Cl2F2N60O8
Molecular Weight2978.26 g/mol
Exact Mass2975.41
IUPAC Name3-(3-chloro-4-morpholin-4-ylphenyl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine;3-(3-chloro-4-propan-2-yloxyphenyl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine;2,9-dimethylpurin-6-amine;N,9-dimethylpurin-6-amine;3-(3-fluoro-4-morpholin-4-ylphenyl)-N,1-dimethylpyrazolo[3,4-d]pyrimidin-4-amine;4-[3-(3-fluoro-4-propan-2-yloxyphenyl)-1-methylpyrazolo[5,4-d]pyrimidin-4-yl]morpholine;4-[1-methyl-3-(3-methyl-2H-indazol-6-yl)pyrazolo[5,4-d]pyrimidin-4-yl]morpholine;9-methyl-6-(4-methylpiperazin-1-yl)purine;1-methyl-3-(3-methyl-4-propan-2-yloxyphenyl)pyrazolo[3,4-d]pyrimidin-4-amine;4-(9-methylpurin-6-yl)morpholine;N,N,9-trimethylpurin-6-amine
SMILESCC(C)Oc1ccc(-c2nn(C)c3ncnc(N)c23)cc1Cl.CC(C)Oc1ccc(-c2nn(C)c3ncnc(N4CCOCC4)c23)cc1F.CN(C)c1ncnc2c1ncn2C.CN1CCN(c2ncnc3c2ncn3C)CC1.CNc1ncnc2c1c(-c1ccc(N3CCOCC3)c(F)c1)nn2C.CNc1ncnc2c1ncn2C.Cc1[nH]nc2cc(-c3nn(C)c4ncnc(N5CCOCC5)c34)ccc12.Cc1cc(-c2nn(C)c3ncnc(N)c23)ccc1OC(C)C.Cc1nc(N)c2ncn(C)c2n1.Cn1cnc2c(N3CCOCC3)ncnc21.Cn1nc(-c2ccc(N3CCOCC3)c(Cl)c2)c2c(N)ncnc21
InChIInChI=1S/C19H22FN5O2.C18H19N7O.C17H19FN6O.C16H17ClN6O.C16H19N5O.C15H16ClN5O.C11H16N6.C10H13N5O.C8H11N5.2C7H9N5/c1-12(2)27-15-5-4-13(10-14(15)20)17-16-18(24(3)23-17)21-11-22-19(16)25-6-8-26-9-7-25;1-11-13-4-3-12(9-14(13)22-21-11)16-15-17(24(2)23-16)19-10-20-18(15)25-5-7-26-8-6-25;1-19-16-14-15(22-23(2)17(14)21-10-20-16)11-3-4-13(12(18)9-11)24-5-7-25-8-6-24;1-22-16-13(15(18)19-9-20-16)14(21-22)10-2-3-12(11(17)8-10)23-4-6-24-7-5-23;1-9(2)22-12-6-5-11(7-10(12)3)14-13-15(17)18-8-19-16(13)21(4)20-14;1-8(2)22-11-5-4-9(6-10(11)16)13-12-14(17)18-7-19-15(12)21(3)20-13;1-15-3-5-17(6-4-15)11-9-10(12-7-13-11)16(2)8-14-9;1-14-7-13-8-9(14)11-6-12-10(8)15-2-4-16-5-3-15;1-12(2)7-6-8(10-4-9-7)13(3)5-11-6;1-8-6-5-7(10-3-9-6)12(2)4-11-5;1-4-10-6(8)5-7(11-4)12(2)3-9-5/h4-5,10-12H,6-9H2,1-3H3;3-4,9-10H,5-8H2,1-2H3,(H,21,22);3-4,9-10H,5-8H2,1-2H3,(H,19,20,21);2-3,8-9H,4-7H2,1H3,(H2,18,19,20);5-9H,1-4H3,(H2,17,18,19);4-8H,1-3H3,(H2,17,18,19);7-8H,3-6H2,1-2H3;6-7H,2-5H2,1H3;4-5H,1-3H3;3-4H,1-2H3,(H,8,9,10);3H,1-2H3,(H2,8,10,11)
InChIKeyRLEVFVPDAVVIGN-UHFFFAOYSA-N
XLogP16.16
TPSA736.18 Ų
H-Bond Donors7
H-Bond Acceptors67
Rotatable Bonds21
Heavy Atoms216
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002978.26
LogP ≤ 516.16
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 1067

Analyze 3-(3-chloro-4-morpholin-4-ylphenyl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine;3-(3-chloro-4-propan-2-yloxyphenyl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine;2,9-dimethylpurin-6-amine;N,9-dimethylpurin-6-amine;3-(3-fluoro-4-morpholin-4-ylphenyl)-N,1-dimethylpyrazolo[3,4-d]pyrimidin-4-amine;4-[3-(3-fluoro-4-propan-2-yloxyphenyl)-1-methylpyrazolo[5,4-d]pyrimidin-4-yl]morpholine;4-[1-methyl-3-(3-methyl-2H-indazol-6-yl)pyrazolo[5,4-d]pyrimidin-4-yl]morpholine;9-methyl-6-(4-methylpiperazin-1-yl)purine;1-methyl-3-(3-methyl-4-propan-2-yloxyphenyl)pyrazolo[3,4-d]pyrimidin-4-amine;4-(9-methylpurin-6-yl)morpholine;N,N,9-trimethylpurin-6-amine with MolForge

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Related Compounds

CID 159459122
CID 159459122
3-(2-tert-butyl-5-chlorophenyl)-1H-indazole;4-(2-tert-butyl-4-fluorophenoxy)-1-methylpiperidine;N-[(2-tert-butyl-5-fluorophenyl)methyl]-N-methylpropan-1-amine;3-(4-tert-butyl-2-methylphenoxy)-N,N-dimethylpropan-1-amine;2-(2-tert-butyl-5-methylphenyl)pyrrolidine;1-(2-tert-butyl-5-methylphenyl)pyrrolidin-3-ol;4-[(4-tert-butylphenoxy)methyl]-1-methylpiperidine;1-[(3-tert-butylphenyl)methyl]-3-methylidenepiperidine;3-[4-(2-tert-butylphenyl)piperazin-1-yl]propan-1-ol;1-(3-tert-butyl-2-pyridinyl)-1,4-diazepane;1-[2-tert-butyl-4-(trifluoromethyl)phenyl]imidazole;4-[2-tert-butyl-4-(trifluoromethyl)phenyl]-1-methylpiperidine
CID 160307874
CID 160924483
CID 160924483
4-[2-chloro-4-[[3-(3,5-difluoro-2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]methyl]phenyl]morpholine;4-[2-chloro-4-[[3-(3-fluoro-2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]methyl]phenyl]morpholine;3-(3,5-difluoro-2-methoxyphenyl)-5-[[3-fluoro-4-(4-methylpiperazin-1-yl)phenyl]methyl]-1H-pyrrolo[2,3-b]pyridine;3-(3,5-difluoro-2-methoxyphenyl)-5-(1-piperidin-4-ylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine;3-(3-fluoro-2-methoxyphenyl)-5-[[3-fluoro-4-(4-methylpiperazin-1-yl)phenyl]methyl]-1H-pyrrolo[2,3-b]pyridine;3-(3-fluoro-2-methoxyphenyl)-5-(1-piperidin-4-ylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine
CID 158090813
(4R)-8-[3-(3-chloro-2-fluorophenyl)-2H-pyrazolo[3,4-b]pyrazin-6-yl]-4-methyl-8-azaspiro[4.5]decane;(3S,4R)-1-[3-(2-chlorophenyl)-2H-pyrazolo[3,4-b]pyrazin-6-yl]-4-ethylpiperidin-3-ol;3-[4-(difluoromethoxy)phenyl]-6-(4-ethyl-4-methylpiperidin-1-yl)-2H-pyrazolo[3,4-b]pyrazine;6-(4-ethyl-4-methylpiperidin-1-yl)-3-(1-methylindol-3-yl)-2H-pyrazolo[3,4-b]pyrazine;6-(4-ethyl-4-methylpiperidin-1-yl)-3-(1-methylindol-4-yl)-2H-pyrazolo[3,4-b]pyrazine
CID 158299598
4-tert-butyl-2-chloro-1-[(3-fluorophenyl)methoxy]benzene;1-tert-butyl-2,3-dihydroindole;6-tert-butyl-1H-indole;4-tert-butyl-2-methyl-1-phenoxybenzene;7-(4-tert-butyl-2-methylphenoxy)-[1,2,4]triazolo[1,5-a]pyridine;1-tert-butyl-4-phenoxybenzene;7-(4-tert-butylphenoxy)imidazo[1,2-a]pyridine
CID 158712340
1-(3,5-dichlorophenyl)pyrazolo[3,4-d]pyrimidin-4-amine;1-(4-fluorophenyl)pyrazolo[3,4-d]pyrimidin-4-amine;1-(1H-indazol-6-yl)pyrazolo[3,4-d]pyrimidin-4-amine;1-[3-[1-(2-methoxyethyl)imidazol-4-yl]phenyl]pyrazolo[3,4-d]pyrimidin-4-amine;1-(4-phenoxyphenyl)pyrazolo[3,4-d]pyrimidin-4-amine;1-(4-pyrazol-1-ylphenyl)pyrazolo[3,4-d]pyrimidin-4-amine;1-(4-pyrrol-1-ylphenyl)pyrazolo[3,4-d]pyrimidin-4-amine
CID 159400378
CID 159517056
CID 159517056
3-(3-chloro-4-morpholin-4-ylphenyl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine;3-(3-chloro-4-propan-2-yloxyphenyl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine;N,9-dimethylpurin-6-amine;4-[3-(3-fluoro-4-propan-2-yloxyphenyl)-1-methylpyrazolo[5,4-d]pyrimidin-4-yl]morpholine;4-[1-methyl-3-(3-methyl-2H-indazol-6-yl)pyrazolo[5,4-d]pyrimidin-4-yl]morpholine;1-methyl-3-(3-methyl-4-propan-2-yloxyphenyl)pyrazolo[3,4-d]pyrimidin-4-amine;N,N,9-trimethylpurin-6-amine
CID 159550037
N-[[6-(3-chloro-4-fluorophenyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]-7-methoxy-1,5-naphthyridin-4-amine;4-[[6-(3,5-difluorophenyl)-8-fluoro-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methoxy]-7-methoxyquinoline;4-[[6-(3-fluoro-4-methylphenyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methoxy]-7-methoxyquinoline;4-[[6-(4-fluoro-3-methylphenyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methoxy]-7-methoxyquinoline;N-[[6-(3-fluorophenyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]-7-methoxy-1,5-naphthyridin-4-amine
CID 159604071
N-[[6-(3-chloro-4-fluorophenyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]-7-methoxy-1,5-naphthyridin-4-amine;4-[[6-(3,5-difluorophenyl)-8-fluoro-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methoxy]-7-methoxyquinoline;4-[[6-(3-fluoro-4-methylphenyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methoxy]-7-methoxyquinoline;4-[[6-(4-fluoro-3-methylphenyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methoxy]-7-methoxyquinoline;N-[[6-(3-fluorophenyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]methyl]-7-methoxy-1,5-naphthyridin-4-amine;methane
CID 159824342
3-(3-chloro-4-morpholin-4-ylphenyl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine;3-(3-chloro-4-propan-2-yloxyphenyl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine;N,9-dimethylpurin-6-amine;4-[3-(3-fluoro-4-propan-2-yloxyphenyl)-1-methylpyrazolo[5,4-d]pyrimidin-4-yl]morpholine;4-[1-methyl-3-(3-methyl-2H-indazol-6-yl)pyrazolo[5,4-d]pyrimidin-4-yl]morpholine;1-methyl-3-(3-methyl-4-propan-2-yloxyphenyl)pyrazolo[3,4-d]pyrimidin-4-amine
CID 159998359

Frequently Asked Questions

What is the IUPAC name of 3-(3-chloro-4-morpholin-4-ylphenyl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine;3-(3-chloro-4-propan-2-yloxyphenyl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine;2,9-dimethylpurin-6-amine;N,9-dimethylpurin-6-amine;3-(3-fluoro-4-morpholin-4-ylphenyl)-N,1-dimethylpyrazolo[3,4-d]pyrimidin-4-amine;4-[3-(3-fluoro-4-propan-2-yloxyphenyl)-1-methylpyrazolo[5,4-d]pyrimidin-4-yl]morpholine;4-[1-methyl-3-(3-methyl-2H-indazol-6-yl)pyrazolo[5,4-d]pyrimidin-4-yl]morpholine;9-methyl-6-(4-methylpiperazin-1-yl)purine;1-methyl-3-(3-methyl-4-propan-2-yloxyphenyl)pyrazolo[3,4-d]pyrimidin-4-amine;4-(9-methylpurin-6-yl)morpholine;N,N,9-trimethylpurin-6-amine?
The IUPAC name of 3-(3-chloro-4-morpholin-4-ylphenyl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine;3-(3-chloro-4-propan-2-yloxyphenyl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine;2,9-dimethylpurin-6-amine;N,9-dimethylpurin-6-amine;3-(3-fluoro-4-morpholin-4-ylphenyl)-N,1-dimethylpyrazolo[3,4-d]pyrimidin-4-amine;4-[3-(3-fluoro-4-propan-2-yloxyphenyl)-1-methylpyrazolo[5,4-d]pyrimidin-4-yl]morpholine;4-[1-methyl-3-(3-methyl-2H-indazol-6-yl)pyrazolo[5,4-d]pyrimidin-4-yl]morpholine;9-methyl-6-(4-methylpiperazin-1-yl)purine;1-methyl-3-(3-methyl-4-propan-2-yloxyphenyl)pyrazolo[3,4-d]pyrimidin-4-amine;4-(9-methylpurin-6-yl)morpholine;N,N,9-trimethylpurin-6-amine (CID 160657135) is 3-(3-chloro-4-morpholin-4-ylphenyl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine;3-(3-chloro-4-propan-2-yloxyphenyl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine;2,9-dimethylpurin-6-amine;N,9-dimethylpurin-6-amine;3-(3-fluoro-4-morpholin-4-ylphenyl)-N,1-dimethylpyrazolo[3,4-d]pyrimidin-4-amine;4-[3-(3-fluoro-4-propan-2-yloxyphenyl)-1-methylpyrazolo[5,4-d]pyrimidin-4-yl]morpholine;4-[1-methyl-3-(3-methyl-2H-indazol-6-yl)pyrazolo[5,4-d]pyrimidin-4-yl]morpholine;9-methyl-6-(4-methylpiperazin-1-yl)purine;1-methyl-3-(3-methyl-4-propan-2-yloxyphenyl)pyrazolo[3,4-d]pyrimidin-4-amine;4-(9-methylpurin-6-yl)morpholine;N,N,9-trimethylpurin-6-amine.
What is the SMILES notation for 3-(3-chloro-4-morpholin-4-ylphenyl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine;3-(3-chloro-4-propan-2-yloxyphenyl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine;2,9-dimethylpurin-6-amine;N,9-dimethylpurin-6-amine;3-(3-fluoro-4-morpholin-4-ylphenyl)-N,1-dimethylpyrazolo[3,4-d]pyrimidin-4-amine;4-[3-(3-fluoro-4-propan-2-yloxyphenyl)-1-methylpyrazolo[5,4-d]pyrimidin-4-yl]morpholine;4-[1-methyl-3-(3-methyl-2H-indazol-6-yl)pyrazolo[5,4-d]pyrimidin-4-yl]morpholine;9-methyl-6-(4-methylpiperazin-1-yl)purine;1-methyl-3-(3-methyl-4-propan-2-yloxyphenyl)pyrazolo[3,4-d]pyrimidin-4-amine;4-(9-methylpurin-6-yl)morpholine;N,N,9-trimethylpurin-6-amine?
The canonical SMILES for 3-(3-chloro-4-morpholin-4-ylphenyl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine;3-(3-chloro-4-propan-2-yloxyphenyl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine;2,9-dimethylpurin-6-amine;N,9-dimethylpurin-6-amine;3-(3-fluoro-4-morpholin-4-ylphenyl)-N,1-dimethylpyrazolo[3,4-d]pyrimidin-4-amine;4-[3-(3-fluoro-4-propan-2-yloxyphenyl)-1-methylpyrazolo[5,4-d]pyrimidin-4-yl]morpholine;4-[1-methyl-3-(3-methyl-2H-indazol-6-yl)pyrazolo[5,4-d]pyrimidin-4-yl]morpholine;9-methyl-6-(4-methylpiperazin-1-yl)purine;1-methyl-3-(3-methyl-4-propan-2-yloxyphenyl)pyrazolo[3,4-d]pyrimidin-4-amine;4-(9-methylpurin-6-yl)morpholine;N,N,9-trimethylpurin-6-amine is CC(C)Oc1ccc(-c2nn(C)c3ncnc(N)c23)cc1Cl.CC(C)Oc1ccc(-c2nn(C)c3ncnc(N4CCOCC4)c23)cc1F.CN(C)c1ncnc2c1ncn2C.CN1CCN(c2ncnc3c2ncn3C)CC1.CNc1ncnc2c1c(-c1ccc(N3CCOCC3)c(F)c1)nn2C.CNc1ncnc2c1ncn2C.Cc1[nH]nc2cc(-c3nn(C)c4ncnc(N5CCOCC5)c34)ccc12.Cc1cc(-c2nn(C)c3ncnc(N)c23)ccc1OC(C)C.Cc1nc(N)c2ncn(C)c2n1.Cn1cnc2c(N3CCOCC3)ncnc21.Cn1nc(-c2ccc(N3CCOCC3)c(Cl)c2)c2c(N)ncnc21.
What is the InChIKey of 3-(3-chloro-4-morpholin-4-ylphenyl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine;3-(3-chloro-4-propan-2-yloxyphenyl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine;2,9-dimethylpurin-6-amine;N,9-dimethylpurin-6-amine;3-(3-fluoro-4-morpholin-4-ylphenyl)-N,1-dimethylpyrazolo[3,4-d]pyrimidin-4-amine;4-[3-(3-fluoro-4-propan-2-yloxyphenyl)-1-methylpyrazolo[5,4-d]pyrimidin-4-yl]morpholine;4-[1-methyl-3-(3-methyl-2H-indazol-6-yl)pyrazolo[5,4-d]pyrimidin-4-yl]morpholine;9-methyl-6-(4-methylpiperazin-1-yl)purine;1-methyl-3-(3-methyl-4-propan-2-yloxyphenyl)pyrazolo[3,4-d]pyrimidin-4-amine;4-(9-methylpurin-6-yl)morpholine;N,N,9-trimethylpurin-6-amine?
The InChIKey is RLEVFVPDAVVIGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22FN5O2.C18H19N7O.C17H19FN6O.C16H17ClN6O.C16H19N5O.C15H16ClN5O.C11H16N6.C10H13N5O.C8H11N5.2C7H9N5/c1-12(2)27-15-5-4-13(10-14(15)20)17-16-18(24(3)23-17)21-11-22-19(16)25-6-8-26-9-7-25;1-11-13-4-3-12(9-14(13)22-21-11)16-15-17(24(2)23-16)19-10-20-18(15)25-5-7-26-8-6-25;1-19-16-14-15(22-23(2)17(14)21-10-20-16)11-3-4-13(12(18)9-11)24-5-7-25-8-6-24;1-22-16-13(15(18)19-9-20-16)14(21-22)10-2-3-12(11(17)8-10)23-4-6-24-7-5-23;1-9(2)22-12-6-5-11(7-10(12)3)14-13-15(17)18-8-19-16(13)21(4)20-14;1-8(2)22-11-5-4-9(6-10(11)16)13-12-14(17)18-7-19-15(12)21(3)20-13;1-15-3-5-17(6-4-15)11-9-10(12-7-13-11)16(2)8-14-9;1-14-7-13-8-9(14)11-6-12-10(8)15-2-4-16-5-3-15;1-12(2)7-6-8(10-4-9-7)13(3)5-11-6;1-8-6-5-7(10-3-9-6)12(2)4-11-5;1-4-10-6(8)5-7(11-4)12(2)3-9-5/h4-5,10-12H,6-9H2,1-3H3;3-4,9-10H,5-8H2,1-2H3,(H,21,22);3-4,9-10H,5-8H2,1-2H3,(H,19,20,21);2-3,8-9H,4-7H2,1H3,(H2,18,19,20);5-9H,1-4H3,(H2,17,18,19);4-8H,1-3H3,(H2,17,18,19);7-8H,3-6H2,1-2H3;6-7H,2-5H2,1H3;4-5H,1-3H3;3-4H,1-2H3,(H,8,9,10);3H,1-2H3,(H2,8,10,11).
What are the key properties of 3-(3-chloro-4-morpholin-4-ylphenyl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine;3-(3-chloro-4-propan-2-yloxyphenyl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine;2,9-dimethylpurin-6-amine;N,9-dimethylpurin-6-amine;3-(3-fluoro-4-morpholin-4-ylphenyl)-N,1-dimethylpyrazolo[3,4-d]pyrimidin-4-amine;4-[3-(3-fluoro-4-propan-2-yloxyphenyl)-1-methylpyrazolo[5,4-d]pyrimidin-4-yl]morpholine;4-[1-methyl-3-(3-methyl-2H-indazol-6-yl)pyrazolo[5,4-d]pyrimidin-4-yl]morpholine;9-methyl-6-(4-methylpiperazin-1-yl)purine;1-methyl-3-(3-methyl-4-propan-2-yloxyphenyl)pyrazolo[3,4-d]pyrimidin-4-amine;4-(9-methylpurin-6-yl)morpholine;N,N,9-trimethylpurin-6-amine?
3-(3-chloro-4-morpholin-4-ylphenyl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine;3-(3-chloro-4-propan-2-yloxyphenyl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine;2,9-dimethylpurin-6-amine;N,9-dimethylpurin-6-amine;3-(3-fluoro-4-morpholin-4-ylphenyl)-N,1-dimethylpyrazolo[3,4-d]pyrimidin-4-amine;4-[3-(3-fluoro-4-propan-2-yloxyphenyl)-1-methylpyrazolo[5,4-d]pyrimidin-4-yl]morpholine;4-[1-methyl-3-(3-methyl-2H-indazol-6-yl)pyrazolo[5,4-d]pyrimidin-4-yl]morpholine;9-methyl-6-(4-methylpiperazin-1-yl)purine;1-methyl-3-(3-methyl-4-propan-2-yloxyphenyl)pyrazolo[3,4-d]pyrimidin-4-amine;4-(9-methylpurin-6-yl)morpholine;N,N,9-trimethylpurin-6-amine has a molecular weight of 2978.26 g/mol, XLogP of 16.16, 21 rotatable bonds, 7 hydrogen bond donors, and 67 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-chloro-4-morpholin-4-ylphenyl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine;3-(3-chloro-4-propan-2-yloxyphenyl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine;2,9-dimethylpurin-6-amine;N,9-dimethylpurin-6-amine;3-(3-fluoro-4-morpholin-4-ylphenyl)-N,1-dimethylpyrazolo[3,4-d]pyrimidin-4-amine;4-[3-(3-fluoro-4-propan-2-yloxyphenyl)-1-methylpyrazolo[5,4-d]pyrimidin-4-yl]morpholine;4-[1-methyl-3-(3-methyl-2H-indazol-6-yl)pyrazolo[5,4-d]pyrimidin-4-yl]morpholine;9-methyl-6-(4-methylpiperazin-1-yl)purine;1-methyl-3-(3-methyl-4-propan-2-yloxyphenyl)pyrazolo[3,4-d]pyrimidin-4-amine;4-(9-methylpurin-6-yl)morpholine;N,N,9-trimethylpurin-6-amine is sourced from PubChem (CID 160657135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).