3-(5-chlorothiophen-2-yl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine;3-(3,5-dimethyl-1,2-oxazol-4-yl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine;3-(6-methoxynaphthalen-2-yl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine;1-methyl-3-(1-methylpyrazol-4-yl)pyrazolo[3,4-d]pyrimidin-4-amine

C48H46ClN23O2S — CID 158312770

IUPAC3-(5-chlorothiophen-2-yl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine;3-(3,5-dimethyl-1,2-oxazol-4-yl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine;3-(6-methoxynaphthalen-2-yl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine;1-methyl-3-(1-methylpyrazol-4-yl)pyrazolo[3,4-d]pyrimidin-4-amine
SMILESCOc1ccc2cc(-c3nn(C)c4ncnc(N)c34)ccc2c1.Cc1noc(C)c1-c1nn(C)c2ncnc(N)c12.Cn1cc(-c2nn(C)c3ncnc(N)c23)cn1.Cn1nc(-c2ccc(Cl)s2)c2c(N)ncnc21
InChIInChI=1S/C17H15N5O.C11H12N6O.C10H8ClN5S.C10H11N7/c1-22-17-14(16(18)19-9-20-17)15(21-22)12-4-3-11-8-13(23-2)6-5-10(11)7-12;1-5-7(6(2)18-16-5)9-8-10(12)13-4-14-11(8)17(3)15-9;1-16-10-7(9(12)13-4-14-10)8(15-16)5-2-3-6(11)17-5;1-16-4-6(3-14-16)8-7-9(11)12-5-13-10(7)17(2)15-8/h3-9H,1-2H3,(H2,18,19,20);4H,1-3H3,(H2,12,13,14);2-4H,1H3,(H2,12,13,14);3-5H,1-2H3,(H2,11,12,13)
InChIKeyGNWNAYOMUSOVOY-UHFFFAOYSA-N
MW1044.57 g/mol
LogP6.67
Rot. Bonds5

About 3-(5-chlorothiophen-2-yl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine;3-(3,5-dimethyl-1,2-oxazol-4-yl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine;3-(6-methoxynaphthalen-2-yl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine;1-methyl-3-(1-methylpyrazol-4-yl)pyrazolo[3,4-d]pyrimidin-4-amine

3-(5-chlorothiophen-2-yl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine;3-(3,5-dimethyl-1,2-oxazol-4-yl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine;3-(6-methoxynaphthalen-2-yl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine;1-methyl-3-(1-methylpyrazol-4-yl)pyrazolo[3,4-d]pyrimidin-4-amine (PubChem CID 158312770) has the molecular formula C48H46ClN23O2S and a molecular weight of 1044.57 g/mol. Its IUPAC name is 3-(5-chlorothiophen-2-yl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine;3-(3,5-dimethyl-1,2-oxazol-4-yl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine;3-(6-methoxynaphthalen-2-yl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine;1-methyl-3-(1-methylpyrazol-4-yl)pyrazolo[3,4-d]pyrimidin-4-amine.

Molecular Properties

Compound Name3-(5-chlorothiophen-2-yl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine;3-(3,5-dimethyl-1,2-oxazol-4-yl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine;3-(6-methoxynaphthalen-2-yl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine;1-methyl-3-(1-methylpyrazol-4-yl)pyrazolo[3,4-d]pyrimidin-4-amine
PubChem CID158312770
Molecular FormulaC48H46ClN23O2S
Molecular Weight1044.57 g/mol
Exact Mass1043.36
IUPAC Name3-(5-chlorothiophen-2-yl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine;3-(3,5-dimethyl-1,2-oxazol-4-yl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine;3-(6-methoxynaphthalen-2-yl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine;1-methyl-3-(1-methylpyrazol-4-yl)pyrazolo[3,4-d]pyrimidin-4-amine
SMILESCOc1ccc2cc(-c3nn(C)c4ncnc(N)c34)ccc2c1.Cc1noc(C)c1-c1nn(C)c2ncnc(N)c12.Cn1cc(-c2nn(C)c3ncnc(N)c23)cn1.Cn1nc(-c2ccc(Cl)s2)c2c(N)ncnc21
InChIInChI=1S/C17H15N5O.C11H12N6O.C10H8ClN5S.C10H11N7/c1-22-17-14(16(18)19-9-20-17)15(21-22)12-4-3-11-8-13(23-2)6-5-10(11)7-12;1-5-7(6(2)18-16-5)9-8-10(12)13-4-14-11(8)17(3)15-9;1-16-10-7(9(12)13-4-14-10)8(15-16)5-2-3-6(11)17-5;1-16-4-6(3-14-16)8-7-9(11)12-5-13-10(7)17(2)15-8/h3-9H,1-2H3,(H2,18,19,20);4H,1-3H3,(H2,12,13,14);2-4H,1H3,(H2,12,13,14);3-5H,1-2H3,(H2,11,12,13)
InChIKeyGNWNAYOMUSOVOY-UHFFFAOYSA-N
XLogP6.67
TPSA331.56 Ų
H-Bond Donors4
H-Bond Acceptors26
Rotatable Bonds5
Heavy Atoms75
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001044.57
LogP ≤ 56.67
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1026

Analyze 3-(5-chlorothiophen-2-yl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine;3-(3,5-dimethyl-1,2-oxazol-4-yl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine;3-(6-methoxynaphthalen-2-yl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine;1-methyl-3-(1-methylpyrazol-4-yl)pyrazolo[3,4-d]pyrimidin-4-amine with MolForge

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Related Compounds

3-(1-Benzothiophen-2-yl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine;3-(3-chloro-4-propan-2-yloxyphenyl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine;3-(5-chlorothiophen-2-yl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine;3-[3-(dimethylamino)phenyl]-1-methylpyrazolo[3,4-d]pyrimidin-4-amine;3-(3,5-dimethyl-1,2-oxazol-4-yl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine;3-(3-ethoxyphenyl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine;3-(4-ethoxyphenyl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine;3-(4-methoxy-3,5-dimethylphenyl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine;3-(6-methoxynaphthalen-2-yl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine;1-methyl-3-(2-methyl-5-propan-2-yloxyphenyl)pyrazolo[3,4-d]pyrimidin-4-amine;1-methyl-3-(1-methylpyrazol-4-yl)pyrazolo[3,4-d]pyrimidin-4-amine;1-methyl-3-(3-propoxyphenyl)pyrazolo[3,4-d]pyrimidin-4-amine
CID 157080391
3-(3-Chloro-4-propan-2-yloxyphenyl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine;3-(5-chlorothiophen-2-yl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine;3-[3-(dimethylamino)phenyl]-1-methylpyrazolo[3,4-d]pyrimidin-4-amine;3,13-dimethyl-5-oxa-4,7,9,11,13,14-hexazatetracyclo[6.6.1.02,6.012,15]pentadeca-1(14),2(6),3,8(15),9,11-hexaene;3-(4-ethoxyphenyl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine;3-(2-fluoro-5-propan-2-yloxyphenyl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine;3-(4-methoxy-3,5-dimethylphenyl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine;3-(6-methoxynaphthalen-2-yl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine;1-methyl-3-(1-methylpyrazol-4-yl)pyrazolo[3,4-d]pyrimidin-4-amine;1-methyl-3-(3-propoxyphenyl)pyrazolo[3,4-d]pyrimidin-4-amine
CID 157793251
3-(1-Benzothiophen-2-yl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine;3-(3-chloro-4-phenylmethoxyphenyl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine;3-(5-chlorothiophen-2-yl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine;3-[4-(dimethylamino)phenyl]-1-methylpyrazolo[3,4-d]pyrimidin-4-amine;3-(3,5-dimethyl-1,2-oxazol-4-yl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine;3-(3-ethoxyphenyl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine;3-(6-methoxynaphthalen-2-yl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine;1-methyl-3-(1-methylpyrazol-4-yl)pyrazolo[3,4-d]pyrimidin-4-amine;1-methyl-3-(4-methylsulfonylphenyl)pyrazolo[3,4-d]pyrimidin-4-amine
CID 158067779
3-(5-chlorothiophen-2-yl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine;3-(3,5-dimethyl-1,2-oxazol-4-yl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine;3-(4-methoxy-3,5-dimethylphenyl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine;3-(6-methoxynaphthalen-2-yl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine;1-methyl-3-(2-methyl-3H-pyrazol-2-ium-4-yl)pyrazolo[3,4-d]pyrimidin-4-amine;1-methyl-3-(3-propoxyphenyl)pyrazolo[3,4-d]pyrimidin-4-amine
CID 159087959
5-chloro-2,3-dimethylthiophene;N-[(5-methoxy-2-methylphenyl)methyl]aniline;2-methylbenzamide;5-methyl-1,2-benzoxazol-3-amine;6-methyl-2,3-dihydroisoindol-1-one;5-methyl-1H-indole;6-methyl-3H-isoindol-1-amine;7-methylisoquinolin-1-amine;7-methylisoquinoline-6-carboxamide;6-methylphthalazin-1-amine;7-methylphthalazin-1-amine;4-methyl-1H-pyrazole;6-methylquinazolin-4-amine
CID 159350049
3-(3-Chloro-4-propan-2-yloxyphenyl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine;3-(5-chlorothiophen-2-yl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine;3-[3-(dimethylamino)phenyl]-1-methylpyrazolo[3,4-d]pyrimidin-4-amine;3-(3,5-dimethyl-1,2-oxazol-4-yl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine;3-(4-ethoxyphenyl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine;3-(2-fluoro-5-propan-2-yloxyphenyl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine;3-(4-methoxy-3,5-dimethylphenyl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine;3-(6-methoxynaphthalen-2-yl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine;1-methyl-3-(1-methylpyrazol-4-yl)pyrazolo[3,4-d]pyrimidin-4-amine;1-methyl-3-(3-propoxyphenyl)pyrazolo[3,4-d]pyrimidin-4-amine
CID 160402958
3-(1-Benzothiophen-2-yl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine;3-(5-chlorothiophen-2-yl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine;3-(3,5-dimethyl-1,2-oxazol-4-yl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine;3-(6-methoxynaphthalen-2-yl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine;1-methyl-3-(1-methylpyrazol-4-yl)pyrazolo[3,4-d]pyrimidin-4-amine
CID 160453388
3-(1-Benzothiophen-2-yl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine;3-(3-chloro-4-propan-2-yloxyphenyl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine;3-(5-chlorothiophen-2-yl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine;3-(3,5-dimethyl-1,2-oxazol-4-yl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine;3-(3-ethoxyphenyl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine;3-(4-methoxy-3,5-dimethylphenyl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine;3-(6-methoxynaphthalen-2-yl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine;1-methyl-3-(1-methylpyrazol-4-yl)pyrazolo[3,4-d]pyrimidin-4-amine;1-methyl-3-(3-propoxyphenyl)pyrazolo[3,4-d]pyrimidin-4-amine
CID 160619772
3-(1-Benzothiophen-2-yl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine;3-(3-chloro-4-propan-2-yloxyphenyl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine;3-(5-chlorothiophen-2-yl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine;3-[3-(dimethylamino)phenyl]-1-methylpyrazolo[3,4-d]pyrimidin-4-amine;3-(3,5-dimethyl-1,2-oxazol-4-yl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine;3-(3-ethoxyphenyl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine;3-(4-ethoxyphenyl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine;3-(2-fluoro-5-propan-2-yloxyphenyl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine;3-(4-methoxy-3,5-dimethylphenyl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine;3-(6-methoxynaphthalen-2-yl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine;1-methyl-3-(1-methylpyrazol-4-yl)pyrazolo[3,4-d]pyrimidin-4-amine;1-methyl-3-(3-propoxyphenyl)pyrazolo[3,4-d]pyrimidin-4-amine
CID 161024598
3-(1-Benzothiophen-2-yl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine;3-(3-chloro-4-propan-2-yloxyphenyl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine;3-(5-chlorothiophen-2-yl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine;3-(3,5-dimethyl-1,2-oxazol-4-yl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine;3-(3-ethoxyphenyl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine;3-(4-ethoxyphenyl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine;3-(4-methoxy-3,5-dimethylphenyl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine;3-(6-methoxynaphthalen-2-yl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine;1-methyl-3-(1-methylpyrazol-4-yl)pyrazolo[3,4-d]pyrimidin-4-amine;1-methyl-3-(3-propoxyphenyl)pyrazolo[3,4-d]pyrimidin-4-amine
CID 161270115

Frequently Asked Questions

What is the IUPAC name of 3-(5-chlorothiophen-2-yl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine;3-(3,5-dimethyl-1,2-oxazol-4-yl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine;3-(6-methoxynaphthalen-2-yl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine;1-methyl-3-(1-methylpyrazol-4-yl)pyrazolo[3,4-d]pyrimidin-4-amine?
The IUPAC name of 3-(5-chlorothiophen-2-yl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine;3-(3,5-dimethyl-1,2-oxazol-4-yl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine;3-(6-methoxynaphthalen-2-yl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine;1-methyl-3-(1-methylpyrazol-4-yl)pyrazolo[3,4-d]pyrimidin-4-amine (CID 158312770) is 3-(5-chlorothiophen-2-yl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine;3-(3,5-dimethyl-1,2-oxazol-4-yl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine;3-(6-methoxynaphthalen-2-yl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine;1-methyl-3-(1-methylpyrazol-4-yl)pyrazolo[3,4-d]pyrimidin-4-amine.
What is the SMILES notation for 3-(5-chlorothiophen-2-yl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine;3-(3,5-dimethyl-1,2-oxazol-4-yl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine;3-(6-methoxynaphthalen-2-yl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine;1-methyl-3-(1-methylpyrazol-4-yl)pyrazolo[3,4-d]pyrimidin-4-amine?
The canonical SMILES for 3-(5-chlorothiophen-2-yl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine;3-(3,5-dimethyl-1,2-oxazol-4-yl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine;3-(6-methoxynaphthalen-2-yl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine;1-methyl-3-(1-methylpyrazol-4-yl)pyrazolo[3,4-d]pyrimidin-4-amine is COc1ccc2cc(-c3nn(C)c4ncnc(N)c34)ccc2c1.Cc1noc(C)c1-c1nn(C)c2ncnc(N)c12.Cn1cc(-c2nn(C)c3ncnc(N)c23)cn1.Cn1nc(-c2ccc(Cl)s2)c2c(N)ncnc21.
What is the InChIKey of 3-(5-chlorothiophen-2-yl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine;3-(3,5-dimethyl-1,2-oxazol-4-yl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine;3-(6-methoxynaphthalen-2-yl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine;1-methyl-3-(1-methylpyrazol-4-yl)pyrazolo[3,4-d]pyrimidin-4-amine?
The InChIKey is GNWNAYOMUSOVOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N5O.C11H12N6O.C10H8ClN5S.C10H11N7/c1-22-17-14(16(18)19-9-20-17)15(21-22)12-4-3-11-8-13(23-2)6-5-10(11)7-12;1-5-7(6(2)18-16-5)9-8-10(12)13-4-14-11(8)17(3)15-9;1-16-10-7(9(12)13-4-14-10)8(15-16)5-2-3-6(11)17-5;1-16-4-6(3-14-16)8-7-9(11)12-5-13-10(7)17(2)15-8/h3-9H,1-2H3,(H2,18,19,20);4H,1-3H3,(H2,12,13,14);2-4H,1H3,(H2,12,13,14);3-5H,1-2H3,(H2,11,12,13).
What are the key properties of 3-(5-chlorothiophen-2-yl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine;3-(3,5-dimethyl-1,2-oxazol-4-yl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine;3-(6-methoxynaphthalen-2-yl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine;1-methyl-3-(1-methylpyrazol-4-yl)pyrazolo[3,4-d]pyrimidin-4-amine?
3-(5-chlorothiophen-2-yl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine;3-(3,5-dimethyl-1,2-oxazol-4-yl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine;3-(6-methoxynaphthalen-2-yl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine;1-methyl-3-(1-methylpyrazol-4-yl)pyrazolo[3,4-d]pyrimidin-4-amine has a molecular weight of 1044.57 g/mol, XLogP of 6.67, 5 rotatable bonds, 4 hydrogen bond donors, and 26 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-chlorothiophen-2-yl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine;3-(3,5-dimethyl-1,2-oxazol-4-yl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine;3-(6-methoxynaphthalen-2-yl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine;1-methyl-3-(1-methylpyrazol-4-yl)pyrazolo[3,4-d]pyrimidin-4-amine is sourced from PubChem (CID 158312770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).