5-(4-amino-1-methylpyrazolo[3,4-d]pyrimidin-3-yl)-2-chlorophenol;[4-(4-amino-1-methylpyrazolo[3,4-d]pyrimidin-3-yl)thiophen-2-yl]methanol;3-(2-aminopyrimidin-5-yl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine;3-(1H-indol-6-yl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine;3-(5-methoxythiophen-3-yl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine;1-methyl-3-(2-methyl-3H-benzimidazol-5-yl)pyrazolo[3,4-d]pyrimidin-4-amine

C72H67ClN36O3S2 — CID 161001653

IUPAC5-(4-amino-1-methylpyrazolo[3,4-d]pyrimidin-3-yl)-2-chlorophenol;[4-(4-amino-1-methylpyrazolo[3,4-d]pyrimidin-3-yl)thiophen-2-yl]methanol;3-(2-aminopyrimidin-5-yl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine;3-(1H-indol-6-yl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine;3-(5-methoxythiophen-3-yl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine;1-methyl-3-(2-methyl-3H-benzimidazol-5-yl)pyrazolo[3,4-d]pyrimidin-4-amine
SMILESCOc1cc(-c2nn(C)c3ncnc(N)c23)cs1.Cc1nc2ccc(-c3nn(C)c4ncnc(N)c34)cc2[nH]1.Cn1nc(-c2ccc(Cl)c(O)c2)c2c(N)ncnc21.Cn1nc(-c2ccc3cc[nH]c3c2)c2c(N)ncnc21.Cn1nc(-c2cnc(N)nc2)c2c(N)ncnc21.Cn1nc(-c2csc(CO)c2)c2c(N)ncnc21
InChIInChI=1S/C14H13N7.C14H12N6.C12H10ClN5O.2C11H11N5OS.C10H10N8/c1-7-18-9-4-3-8(5-10(9)19-7)12-11-13(15)16-6-17-14(11)21(2)20-12;1-20-14-11(13(15)17-7-18-14)12(19-20)9-3-2-8-4-5-16-10(8)6-9;1-18-12-9(11(14)15-5-16-12)10(17-18)6-2-3-7(13)8(19)4-6;1-16-11-8(10(12)13-5-14-11)9(15-16)6-3-7(17-2)18-4-6;1-16-11-8(10(12)13-5-14-11)9(15-16)6-2-7(3-17)18-4-6;1-18-9-6(8(11)15-4-16-9)7(17-18)5-2-13-10(12)14-3-5/h3-6H,1-2H3,(H,18,19)(H2,15,16,17);2-7,16H,1H3,(H2,15,17,18);2-5,19H,1H3,(H2,14,15,16);3-5H,1-2H3,(H2,12,13,14);2,4-5,17H,3H2,1H3,(H2,12,13,14);2-4H,1H3,(H2,11,15,16)(H2,12,13,14)
InChIKeyTVYNYDIVNKXPGW-UHFFFAOYSA-N
MW1584.16 g/mol
LogP8.70
Rot. Bonds8

About 5-(4-amino-1-methylpyrazolo[3,4-d]pyrimidin-3-yl)-2-chlorophenol;[4-(4-amino-1-methylpyrazolo[3,4-d]pyrimidin-3-yl)thiophen-2-yl]methanol;3-(2-aminopyrimidin-5-yl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine;3-(1H-indol-6-yl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine;3-(5-methoxythiophen-3-yl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine;1-methyl-3-(2-methyl-3H-benzimidazol-5-yl)pyrazolo[3,4-d]pyrimidin-4-amine

5-(4-amino-1-methylpyrazolo[3,4-d]pyrimidin-3-yl)-2-chlorophenol;[4-(4-amino-1-methylpyrazolo[3,4-d]pyrimidin-3-yl)thiophen-2-yl]methanol;3-(2-aminopyrimidin-5-yl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine;3-(1H-indol-6-yl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine;3-(5-methoxythiophen-3-yl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine;1-methyl-3-(2-methyl-3H-benzimidazol-5-yl)pyrazolo[3,4-d]pyrimidin-4-amine (PubChem CID 161001653) has the molecular formula C72H67ClN36O3S2 and a molecular weight of 1584.16 g/mol. Its IUPAC name is 5-(4-amino-1-methylpyrazolo[3,4-d]pyrimidin-3-yl)-2-chlorophenol;[4-(4-amino-1-methylpyrazolo[3,4-d]pyrimidin-3-yl)thiophen-2-yl]methanol;3-(2-aminopyrimidin-5-yl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine;3-(1H-indol-6-yl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine;3-(5-methoxythiophen-3-yl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine;1-methyl-3-(2-methyl-3H-benzimidazol-5-yl)pyrazolo[3,4-d]pyrimidin-4-amine.

Molecular Properties

Compound Name5-(4-amino-1-methylpyrazolo[3,4-d]pyrimidin-3-yl)-2-chlorophenol;[4-(4-amino-1-methylpyrazolo[3,4-d]pyrimidin-3-yl)thiophen-2-yl]methanol;3-(2-aminopyrimidin-5-yl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine;3-(1H-indol-6-yl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine;3-(5-methoxythiophen-3-yl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine;1-methyl-3-(2-methyl-3H-benzimidazol-5-yl)pyrazolo[3,4-d]pyrimidin-4-amine
PubChem CID161001653
Molecular FormulaC72H67ClN36O3S2
Molecular Weight1584.16 g/mol
Exact Mass1582.53
IUPAC Name5-(4-amino-1-methylpyrazolo[3,4-d]pyrimidin-3-yl)-2-chlorophenol;[4-(4-amino-1-methylpyrazolo[3,4-d]pyrimidin-3-yl)thiophen-2-yl]methanol;3-(2-aminopyrimidin-5-yl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine;3-(1H-indol-6-yl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine;3-(5-methoxythiophen-3-yl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine;1-methyl-3-(2-methyl-3H-benzimidazol-5-yl)pyrazolo[3,4-d]pyrimidin-4-amine
SMILESCOc1cc(-c2nn(C)c3ncnc(N)c23)cs1.Cc1nc2ccc(-c3nn(C)c4ncnc(N)c34)cc2[nH]1.Cn1nc(-c2ccc(Cl)c(O)c2)c2c(N)ncnc21.Cn1nc(-c2ccc3cc[nH]c3c2)c2c(N)ncnc21.Cn1nc(-c2cnc(N)nc2)c2c(N)ncnc21.Cn1nc(-c2csc(CO)c2)c2c(N)ncnc21
InChIInChI=1S/C14H13N7.C14H12N6.C12H10ClN5O.2C11H11N5OS.C10H10N8/c1-7-18-9-4-3-8(5-10(9)19-7)12-11-13(15)16-6-17-14(11)21(2)20-12;1-20-14-11(13(15)17-7-18-14)12(19-20)9-3-2-8-4-5-16-10(8)6-9;1-18-12-9(11(14)15-5-16-12)10(17-18)6-2-3-7(13)8(19)4-6;1-16-11-8(10(12)13-5-14-11)9(15-16)6-3-7(17-2)18-4-6;1-16-11-8(10(12)13-5-14-11)9(15-16)6-2-7(3-17)18-4-6;1-18-9-6(8(11)15-4-16-9)7(17-18)5-2-13-10(12)14-3-5/h3-6H,1-2H3,(H,18,19)(H2,15,16,17);2-7,16H,1H3,(H2,15,17,18);2-5,19H,1H3,(H2,14,15,16);3-5H,1-2H3,(H2,12,13,14);2,4-5,17H,3H2,1H3,(H2,12,13,14);2-4H,1H3,(H2,11,15,16)(H2,12,13,14)
InChIKeyTVYNYDIVNKXPGW-UHFFFAOYSA-N
XLogP8.70
TPSA563.68 Ų
H-Bond Donors11
H-Bond Acceptors39
Rotatable Bonds8
Heavy Atoms114
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001584.16
LogP ≤ 58.70
H-Bond Donors ≤ 511
H-Bond Acceptors ≤ 1039

Analyze 5-(4-amino-1-methylpyrazolo[3,4-d]pyrimidin-3-yl)-2-chlorophenol;[4-(4-amino-1-methylpyrazolo[3,4-d]pyrimidin-3-yl)thiophen-2-yl]methanol;3-(2-aminopyrimidin-5-yl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine;3-(1H-indol-6-yl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine;3-(5-methoxythiophen-3-yl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine;1-methyl-3-(2-methyl-3H-benzimidazol-5-yl)pyrazolo[3,4-d]pyrimidin-4-amine with MolForge

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Related Compounds

3-[5-(aminomethyl)thiophen-2-yl]-1-methylpyrazolo[3,4-d]pyrimidin-4-amine;3-(2-aminopyrimidin-5-yl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine;3-(1H-indol-6-yl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine;3-(5-methoxythiophen-3-yl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine;1-methyl-3-(3-methyl-1H-indol-6-yl)pyrazolo[3,4-d]pyrimidin-4-amine;1-methyl-3-(2-methylpyrimidin-5-yl)pyrazolo[3,4-d]pyrimidin-4-amine
CID 157148385
6-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)pyridin-3-ol;1-(4-chlorophenyl)pyrazolo[3,4-d]pyrimidin-4-amine;1-[3-(1-fluoroethoxy)phenyl]pyrazolo[3,4-d]pyrimidin-4-amine;1-(4-fluoro-3-methylphenyl)pyrazolo[3,4-d]pyrimidin-4-amine;1-[3-(1H-imidazol-5-yl)phenyl]pyrazolo[3,4-d]pyrimidin-4-amine;1-(3-methoxyphenyl)pyrazolo[3,4-d]pyrimidin-4-amine;1-(3-methylphenyl)pyrazolo[3,4-d]pyrimidin-4-amine;1-(4-methylphenyl)pyrazolo[3,4-d]pyrimidin-4-amine;1-pyridin-4-ylpyrazolo[3,4-d]pyrimidin-4-amine;1-thiophen-2-ylpyrazolo[3,4-d]pyrimidin-4-amine;1-thiophen-3-ylpyrazolo[3,4-d]pyrimidin-4-amine
CID 157410001
3-(4-amino-1-methylpyrazolo[3,4-d]pyrimidin-3-yl)-4-chlorophenol;5-(4-amino-1-methylpyrazolo[3,4-d]pyrimidin-3-yl)-2-chlorophenol;[4-(4-amino-1-methylpyrazolo[3,4-d]pyrimidin-3-yl)thiophen-2-yl]methanol;3-[5-(aminomethyl)thiophen-2-yl]-1-methylpyrazolo[3,4-d]pyrimidin-4-amine;3-(2-aminopyrimidin-5-yl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine;3-(1H-indol-6-yl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine;3-(5-methoxythiophen-3-yl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine;1-methyl-3-(2-methyl-3H-benzimidazol-5-yl)pyrazolo[3,4-d]pyrimidin-4-amine;1-methyl-3-(2-methylpyrimidin-5-yl)pyrazolo[3,4-d]pyrimidin-4-amine
CID 157549994
3-(4-amino-1-methylpyrazolo[3,4-d]pyrimidin-3-yl)-4-chlorophenol;5-(4-amino-1-methylpyrazolo[3,4-d]pyrimidin-3-yl)-2-chlorophenol;[4-(4-amino-1-methylpyrazolo[3,4-d]pyrimidin-3-yl)thiophen-2-yl]methanol;3-(3,4-dimethylphenyl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine;3-(1H-indol-6-yl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine;1-methyl-3-(2-methyl-3H-benzimidazol-5-yl)pyrazolo[3,4-d]pyrimidin-4-amine;1-methyl-3-(3-methylbenzimidazol-5-yl)-2H-pyrazolo[3,4-d]pyrimidin-1-ium-4-amine
CID 157770924
2-chloro-5-methylphenol;4-chloro-3-methylphenol;2,6-dimethyl-1H-benzimidazole;3,5-dimethyl-2H-indazole;3,6-dimethyl-2H-indazole;3,6-dimethyl-1H-indene;3,5-dimethyl-1H-indole;3,6-dimethyl-1H-indole;2,5-dimethylpyrimidine;2-ethyl-5-methylthiophene;5-fluoro-2-methylphenol;2-methoxy-4-methylthiophene;3-methylaniline;4-methylaniline;4-methylbenzene-1,2-diol;5-methyl-2,3-dihydro-1-benzofuran;6-methyl-1H-indole;4-methylphenol;5-methylpyrimidin-2-amine;(4-methylthiophen-2-yl)methanol;1,2,4-trimethylbenzene
CID 157916587
2-(4-amino-1-methylpyrazolo[3,4-d]pyrimidin-3-yl)-5-fluorophenol;[4-(4-amino-1-methylpyrazolo[3,4-d]pyrimidin-3-yl)thiophen-2-yl]methanol;3-[5-(aminomethyl)thiophen-2-yl]-1-methylpyrazolo[3,4-d]pyrimidin-4-amine;3-(3-aminophenyl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine;3-(2-aminopyrimidin-5-yl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine;3-(1H-indol-6-yl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine;3-(5-methoxythiophen-3-yl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine;1-methyl-3-(3-methyl-1H-indol-5-yl)pyrazolo[3,4-d]pyrimidin-4-amine;1-methyl-3-(3-methyl-1H-indol-6-yl)pyrazolo[3,4-d]pyrimidin-4-amine;1-methyl-3-(2-methylpyrimidin-5-yl)pyrazolo[3,4-d]pyrimidin-4-amine
CID 158048017
3-(4-amino-1-methylpyrazolo[3,4-d]pyrimidin-3-yl)-4-chlorophenol;5-(4-amino-1-methylpyrazolo[3,4-d]pyrimidin-3-yl)-2-chlorophenol;[4-(4-amino-1-methylpyrazolo[3,4-d]pyrimidin-3-yl)thiophen-2-yl]methanol;3-(4-aminophenyl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine;3-(3,4-dimethylphenyl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine;1-methyl-3-(2-methyl-3H-benzimidazol-5-yl)pyrazolo[3,4-d]pyrimidin-4-amine;1-methyl-3-(3-methyl-2H-indazol-5-yl)pyrazolo[3,4-d]pyrimidin-4-amine
CID 158184252
4-[4-[4-(5-chlorothiophen-2-yl)-5-methyl-1H-imidazol-2-yl]piperidin-1-yl]-6-(4-methylphenyl)-7H-pyrrolo[2,3-d]pyrimidine;4-[4-[4-[4-(difluoromethoxy)phenyl]-5-methyl-1H-imidazol-2-yl]piperidin-1-yl]-6-[1-(1-fluoroethyl)pyrazol-4-yl]-7H-cyclopenta[d]pyrimidine;4-[4-[5-methyl-4-(5-methylthiophen-2-yl)-1H-imidazol-2-yl]piperidin-1-yl]-6-(4-methylphenyl)-7H-pyrrolo[2,3-d]pyrimidine
CID 158241922
3-[5-(aminomethyl)thiophen-2-yl]-1-methylpyrazolo[3,4-d]pyrimidin-4-amine;3-(2-aminopyrimidin-5-yl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine;3-(5-methoxythiophen-3-yl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine;1-methyl-3-(3-methyl-1H-indol-5-yl)pyrazolo[3,4-d]pyrimidin-4-amine;1-methyl-3-(3-methyl-1H-indol-6-yl)pyrazolo[3,4-d]pyrimidin-4-amine;1-methyl-3-(2-methylpyrimidin-5-yl)pyrazolo[3,4-d]pyrimidin-4-amine
CID 158756553
5-(4-amino-1-methylpyrazolo[3,4-d]pyrimidin-3-yl)-2-chlorophenol;[4-(4-amino-1-methylpyrazolo[3,4-d]pyrimidin-3-yl)thiophen-2-yl]methanol;3-(2-aminopyrimidin-5-yl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine;3-(1H-indol-6-yl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine;methane;3-(5-methoxythiophen-3-yl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine;1-methyl-3-(2-methylpyrimidin-5-yl)pyrazolo[3,4-d]pyrimidin-4-amine
CID 159330669
2-chloro-5-methylphenol;4-chloro-3-methylphenol;2,6-difluoro-4-methylphenol;2,6-dimethyl-1H-benzimidazole;3,5-dimethyl-2H-indazole;3,5-dimethyl-1H-indole;bis(3,6-dimethyl-1H-indole);2,5-dimethylpyrimidine;3-ethyl-6-methyl-2H-indazole;2-ethyl-5-methylthiophene;5-fluoro-2-methylphenol;2-methoxy-4-methylthiophene;3-methylaniline;4-methylaniline;4-methylbenzene-1,2-diol;5-methyl-2,3-dihydro-1-benzofuran;5-methyl-1H-indole;6-methyl-1H-indole;5-methylpyrimidin-2-amine;(4-methylthiophen-2-yl)methanol;1,2,4-trimethylbenzene
CID 159337906
N-[(4-chlorophenyl)methyl]-3-(1,3-dimethylindazol-5-yl)-2,6-dimethylimidazo[1,2-b]pyridazin-8-amine;[4-[[[3-(1,3-dimethylindazol-5-yl)-2,6-dimethylimidazo[1,2-b]pyridazin-8-yl]amino]methyl]phenyl]methanol;[5-[[[3-(1,3-dimethylindazol-5-yl)-2,6-dimethylimidazo[1,2-b]pyridazin-8-yl]amino]methyl]-2-pyridinyl]methanol;3-(1,3-dimethylindazol-5-yl)-2,5-dimethyl-N-[(6-methyl-3-pyridinyl)methyl]pyrazolo[1,5-a]pyrimidin-7-amine;3-(1,3-dimethylindazol-5-yl)-2,6-dimethyl-N-(thiophen-2-ylmethyl)imidazo[1,2-b]pyridazin-8-amine
CID 159342532

Frequently Asked Questions

What is the IUPAC name of 5-(4-amino-1-methylpyrazolo[3,4-d]pyrimidin-3-yl)-2-chlorophenol;[4-(4-amino-1-methylpyrazolo[3,4-d]pyrimidin-3-yl)thiophen-2-yl]methanol;3-(2-aminopyrimidin-5-yl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine;3-(1H-indol-6-yl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine;3-(5-methoxythiophen-3-yl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine;1-methyl-3-(2-methyl-3H-benzimidazol-5-yl)pyrazolo[3,4-d]pyrimidin-4-amine?
The IUPAC name of 5-(4-amino-1-methylpyrazolo[3,4-d]pyrimidin-3-yl)-2-chlorophenol;[4-(4-amino-1-methylpyrazolo[3,4-d]pyrimidin-3-yl)thiophen-2-yl]methanol;3-(2-aminopyrimidin-5-yl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine;3-(1H-indol-6-yl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine;3-(5-methoxythiophen-3-yl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine;1-methyl-3-(2-methyl-3H-benzimidazol-5-yl)pyrazolo[3,4-d]pyrimidin-4-amine (CID 161001653) is 5-(4-amino-1-methylpyrazolo[3,4-d]pyrimidin-3-yl)-2-chlorophenol;[4-(4-amino-1-methylpyrazolo[3,4-d]pyrimidin-3-yl)thiophen-2-yl]methanol;3-(2-aminopyrimidin-5-yl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine;3-(1H-indol-6-yl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine;3-(5-methoxythiophen-3-yl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine;1-methyl-3-(2-methyl-3H-benzimidazol-5-yl)pyrazolo[3,4-d]pyrimidin-4-amine.
What is the SMILES notation for 5-(4-amino-1-methylpyrazolo[3,4-d]pyrimidin-3-yl)-2-chlorophenol;[4-(4-amino-1-methylpyrazolo[3,4-d]pyrimidin-3-yl)thiophen-2-yl]methanol;3-(2-aminopyrimidin-5-yl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine;3-(1H-indol-6-yl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine;3-(5-methoxythiophen-3-yl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine;1-methyl-3-(2-methyl-3H-benzimidazol-5-yl)pyrazolo[3,4-d]pyrimidin-4-amine?
The canonical SMILES for 5-(4-amino-1-methylpyrazolo[3,4-d]pyrimidin-3-yl)-2-chlorophenol;[4-(4-amino-1-methylpyrazolo[3,4-d]pyrimidin-3-yl)thiophen-2-yl]methanol;3-(2-aminopyrimidin-5-yl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine;3-(1H-indol-6-yl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine;3-(5-methoxythiophen-3-yl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine;1-methyl-3-(2-methyl-3H-benzimidazol-5-yl)pyrazolo[3,4-d]pyrimidin-4-amine is COc1cc(-c2nn(C)c3ncnc(N)c23)cs1.Cc1nc2ccc(-c3nn(C)c4ncnc(N)c34)cc2[nH]1.Cn1nc(-c2ccc(Cl)c(O)c2)c2c(N)ncnc21.Cn1nc(-c2ccc3cc[nH]c3c2)c2c(N)ncnc21.Cn1nc(-c2cnc(N)nc2)c2c(N)ncnc21.Cn1nc(-c2csc(CO)c2)c2c(N)ncnc21.
What is the InChIKey of 5-(4-amino-1-methylpyrazolo[3,4-d]pyrimidin-3-yl)-2-chlorophenol;[4-(4-amino-1-methylpyrazolo[3,4-d]pyrimidin-3-yl)thiophen-2-yl]methanol;3-(2-aminopyrimidin-5-yl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine;3-(1H-indol-6-yl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine;3-(5-methoxythiophen-3-yl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine;1-methyl-3-(2-methyl-3H-benzimidazol-5-yl)pyrazolo[3,4-d]pyrimidin-4-amine?
The InChIKey is TVYNYDIVNKXPGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N7.C14H12N6.C12H10ClN5O.2C11H11N5OS.C10H10N8/c1-7-18-9-4-3-8(5-10(9)19-7)12-11-13(15)16-6-17-14(11)21(2)20-12;1-20-14-11(13(15)17-7-18-14)12(19-20)9-3-2-8-4-5-16-10(8)6-9;1-18-12-9(11(14)15-5-16-12)10(17-18)6-2-3-7(13)8(19)4-6;1-16-11-8(10(12)13-5-14-11)9(15-16)6-3-7(17-2)18-4-6;1-16-11-8(10(12)13-5-14-11)9(15-16)6-2-7(3-17)18-4-6;1-18-9-6(8(11)15-4-16-9)7(17-18)5-2-13-10(12)14-3-5/h3-6H,1-2H3,(H,18,19)(H2,15,16,17);2-7,16H,1H3,(H2,15,17,18);2-5,19H,1H3,(H2,14,15,16);3-5H,1-2H3,(H2,12,13,14);2,4-5,17H,3H2,1H3,(H2,12,13,14);2-4H,1H3,(H2,11,15,16)(H2,12,13,14).
What are the key properties of 5-(4-amino-1-methylpyrazolo[3,4-d]pyrimidin-3-yl)-2-chlorophenol;[4-(4-amino-1-methylpyrazolo[3,4-d]pyrimidin-3-yl)thiophen-2-yl]methanol;3-(2-aminopyrimidin-5-yl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine;3-(1H-indol-6-yl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine;3-(5-methoxythiophen-3-yl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine;1-methyl-3-(2-methyl-3H-benzimidazol-5-yl)pyrazolo[3,4-d]pyrimidin-4-amine?
5-(4-amino-1-methylpyrazolo[3,4-d]pyrimidin-3-yl)-2-chlorophenol;[4-(4-amino-1-methylpyrazolo[3,4-d]pyrimidin-3-yl)thiophen-2-yl]methanol;3-(2-aminopyrimidin-5-yl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine;3-(1H-indol-6-yl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine;3-(5-methoxythiophen-3-yl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine;1-methyl-3-(2-methyl-3H-benzimidazol-5-yl)pyrazolo[3,4-d]pyrimidin-4-amine has a molecular weight of 1584.16 g/mol, XLogP of 8.70, 8 rotatable bonds, 11 hydrogen bond donors, and 39 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-amino-1-methylpyrazolo[3,4-d]pyrimidin-3-yl)-2-chlorophenol;[4-(4-amino-1-methylpyrazolo[3,4-d]pyrimidin-3-yl)thiophen-2-yl]methanol;3-(2-aminopyrimidin-5-yl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine;3-(1H-indol-6-yl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine;3-(5-methoxythiophen-3-yl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine;1-methyl-3-(2-methyl-3H-benzimidazol-5-yl)pyrazolo[3,4-d]pyrimidin-4-amine is sourced from PubChem (CID 161001653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).