6-(4-amino-1-methylpyrazolo[3,4-d]pyrimidin-3-yl)naphthalen-2-ol;3-(3-chloro-4-methoxyphenyl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine;3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine;3-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine;3-(2,4-dimethoxypyrimidin-5-yl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine;3-(3-fluoro-4-propan-2-yloxyphenyl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine;3-(6-fluoro-3-pyridinyl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine;3-[3-(methoxymethyl)phenyl]-1-methylpyrazolo[3,4-d]pyrimidin-4-amine;3-(2-methoxypyrimidin-5-yl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine;1-methyl-3-(2-methyl-4-pyridinyl)pyrazolo[3,4-d]pyrimidin-4-amine;1-methyl-3-pyrimidin-5-ylpyrazolo[3,4-d]pyrimidin-4-amine

C143H138ClF2N63O11 — CID 157394007

IUPAC6-(4-amino-1-methylpyrazolo[3,4-d]pyrimidin-3-yl)naphthalen-2-ol;3-(3-chloro-4-methoxyphenyl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine;3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine;3-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine;3-(2,4-dimethoxypyrimidin-5-yl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine;3-(3-fluoro-4-propan-2-yloxyphenyl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine;3-(6-fluoro-3-pyridinyl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine;3-[3-(methoxymethyl)phenyl]-1-methylpyrazolo[3,4-d]pyrimidin-4-amine;3-(2-methoxypyrimidin-5-yl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine;1-methyl-3-(2-methyl-4-pyridinyl)pyrazolo[3,4-d]pyrimidin-4-amine;1-methyl-3-pyrimidin-5-ylpyrazolo[3,4-d]pyrimidin-4-amine
SMILESCC(C)Oc1ccc(-c2nn(C)c3ncnc(N)c23)cc1F.COCc1cccc(-c2nn(C)c3ncnc(N)c23)c1.COc1ccc(-c2nn(C)c3ncnc(N)c23)cc1Cl.COc1ncc(-c2nn(C)c3ncnc(N)c23)c(OC)n1.COc1ncc(-c2nn(C)c3ncnc(N)c23)cn1.Cc1cc(-c2nn(C)c3ncnc(N)c23)ccn1.Cn1nc(-c2ccc(F)nc2)c2c(N)ncnc21.Cn1nc(-c2ccc3c(c2)OCCCO3)c2c(N)ncnc21.Cn1nc(-c2ccc3c(c2)OCCO3)c2c(N)ncnc21.Cn1nc(-c2ccc3cc(O)ccc3c2)c2c(N)ncnc21.Cn1nc(-c2cncnc2)c2c(N)ncnc21
InChIInChI=1S/C16H13N5O.C15H16FN5O.C15H15N5O2.C14H13N5O2.C14H15N5O.C13H12ClN5O.C12H13N7O2.C12H12N6.C11H9FN6.C11H11N7O.C10H9N7/c1-21-16-13(15(17)18-8-19-16)14(20-21)11-3-2-10-7-12(22)5-4-9(10)6-11;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;1-20-15-12(14(16)17-8-18-15)13(19-20)9-3-4-10-11(7-9)22-6-2-5-21-10;1-19-14-11(13(15)16-7-17-14)12(18-19)8-2-3-9-10(6-8)21-5-4-20-9;1-19-14-11(13(15)16-8-17-14)12(18-19)10-5-3-4-9(6-10)7-20-2;1-19-13-10(12(15)16-6-17-13)11(18-19)7-3-4-9(20-2)8(14)5-7;1-19-10-7(9(13)15-5-16-10)8(18-19)6-4-14-12(21-3)17-11(6)20-2;1-7-5-8(3-4-14-7)10-9-11(13)15-6-16-12(9)18(2)17-10;1-18-11-8(10(13)15-5-16-11)9(17-18)6-2-3-7(12)14-4-6;1-18-10-7(9(12)15-5-16-10)8(17-18)6-3-13-11(19-2)14-4-6;1-17-10-7(9(11)14-5-15-10)8(16-17)6-2-12-4-13-3-6/h2-8,22H,1H3,(H2,17,18,19);4-8H,1-3H3,(H2,17,18,19);3-4,7-8H,2,5-6H2,1H3,(H2,16,17,18);2-3,6-7H,4-5H2,1H3,(H2,15,16,17);3-6,8H,7H2,1-2H3,(H2,15,16,17);3-6H,1-2H3,(H2,15,16,17);4-5H,1-3H3,(H2,13,15,16);3-6H,1-2H3,(H2,13,15,16);2-5H,1H3,(H2,13,15,16);3-5H,1-2H3,(H2,12,15,16);2-5H,1H3,(H2,11,14,15)
InChIKeyBMIVKWLUWIYIAF-UHFFFAOYSA-N
MW2988.56 g/mol
LogP15.90
Rot. Bonds19

About 6-(4-amino-1-methylpyrazolo[3,4-d]pyrimidin-3-yl)naphthalen-2-ol;3-(3-chloro-4-methoxyphenyl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine;3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine;3-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine;3-(2,4-dimethoxypyrimidin-5-yl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine;3-(3-fluoro-4-propan-2-yloxyphenyl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine;3-(6-fluoro-3-pyridinyl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine;3-[3-(methoxymethyl)phenyl]-1-methylpyrazolo[3,4-d]pyrimidin-4-amine;3-(2-methoxypyrimidin-5-yl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine;1-methyl-3-(2-methyl-4-pyridinyl)pyrazolo[3,4-d]pyrimidin-4-amine;1-methyl-3-pyrimidin-5-ylpyrazolo[3,4-d]pyrimidin-4-amine

6-(4-amino-1-methylpyrazolo[3,4-d]pyrimidin-3-yl)naphthalen-2-ol;3-(3-chloro-4-methoxyphenyl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine;3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine;3-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine;3-(2,4-dimethoxypyrimidin-5-yl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine;3-(3-fluoro-4-propan-2-yloxyphenyl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine;3-(6-fluoro-3-pyridinyl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine;3-[3-(methoxymethyl)phenyl]-1-methylpyrazolo[3,4-d]pyrimidin-4-amine;3-(2-methoxypyrimidin-5-yl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine;1-methyl-3-(2-methyl-4-pyridinyl)pyrazolo[3,4-d]pyrimidin-4-amine;1-methyl-3-pyrimidin-5-ylpyrazolo[3,4-d]pyrimidin-4-amine (PubChem CID 157394007) has the molecular formula C143H138ClF2N63O11 and a molecular weight of 2988.56 g/mol. Its IUPAC name is 6-(4-amino-1-methylpyrazolo[3,4-d]pyrimidin-3-yl)naphthalen-2-ol;3-(3-chloro-4-methoxyphenyl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine;3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine;3-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine;3-(2,4-dimethoxypyrimidin-5-yl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine;3-(3-fluoro-4-propan-2-yloxyphenyl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine;3-(6-fluoro-3-pyridinyl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine;3-[3-(methoxymethyl)phenyl]-1-methylpyrazolo[3,4-d]pyrimidin-4-amine;3-(2-methoxypyrimidin-5-yl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine;1-methyl-3-(2-methyl-4-pyridinyl)pyrazolo[3,4-d]pyrimidin-4-amine;1-methyl-3-pyrimidin-5-ylpyrazolo[3,4-d]pyrimidin-4-amine.

Molecular Properties

Compound Name6-(4-amino-1-methylpyrazolo[3,4-d]pyrimidin-3-yl)naphthalen-2-ol;3-(3-chloro-4-methoxyphenyl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine;3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine;3-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine;3-(2,4-dimethoxypyrimidin-5-yl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine;3-(3-fluoro-4-propan-2-yloxyphenyl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine;3-(6-fluoro-3-pyridinyl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine;3-[3-(methoxymethyl)phenyl]-1-methylpyrazolo[3,4-d]pyrimidin-4-amine;3-(2-methoxypyrimidin-5-yl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine;1-methyl-3-(2-methyl-4-pyridinyl)pyrazolo[3,4-d]pyrimidin-4-amine;1-methyl-3-pyrimidin-5-ylpyrazolo[3,4-d]pyrimidin-4-amine
PubChem CID157394007
Molecular FormulaC143H138ClF2N63O11
Molecular Weight2988.56 g/mol
Exact Mass2986.18
IUPAC Name6-(4-amino-1-methylpyrazolo[3,4-d]pyrimidin-3-yl)naphthalen-2-ol;3-(3-chloro-4-methoxyphenyl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine;3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine;3-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine;3-(2,4-dimethoxypyrimidin-5-yl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine;3-(3-fluoro-4-propan-2-yloxyphenyl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine;3-(6-fluoro-3-pyridinyl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine;3-[3-(methoxymethyl)phenyl]-1-methylpyrazolo[3,4-d]pyrimidin-4-amine;3-(2-methoxypyrimidin-5-yl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine;1-methyl-3-(2-methyl-4-pyridinyl)pyrazolo[3,4-d]pyrimidin-4-amine;1-methyl-3-pyrimidin-5-ylpyrazolo[3,4-d]pyrimidin-4-amine
SMILESCC(C)Oc1ccc(-c2nn(C)c3ncnc(N)c23)cc1F.COCc1cccc(-c2nn(C)c3ncnc(N)c23)c1.COc1ccc(-c2nn(C)c3ncnc(N)c23)cc1Cl.COc1ncc(-c2nn(C)c3ncnc(N)c23)c(OC)n1.COc1ncc(-c2nn(C)c3ncnc(N)c23)cn1.Cc1cc(-c2nn(C)c3ncnc(N)c23)ccn1.Cn1nc(-c2ccc(F)nc2)c2c(N)ncnc21.Cn1nc(-c2ccc3c(c2)OCCCO3)c2c(N)ncnc21.Cn1nc(-c2ccc3c(c2)OCCO3)c2c(N)ncnc21.Cn1nc(-c2ccc3cc(O)ccc3c2)c2c(N)ncnc21.Cn1nc(-c2cncnc2)c2c(N)ncnc21
InChIInChI=1S/C16H13N5O.C15H16FN5O.C15H15N5O2.C14H13N5O2.C14H15N5O.C13H12ClN5O.C12H13N7O2.C12H12N6.C11H9FN6.C11H11N7O.C10H9N7/c1-21-16-13(15(17)18-8-19-16)14(20-21)11-3-2-10-7-12(22)5-4-9(10)6-11;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;1-20-15-12(14(16)17-8-18-15)13(19-20)9-3-4-10-11(7-9)22-6-2-5-21-10;1-19-14-11(13(15)16-7-17-14)12(18-19)8-2-3-9-10(6-8)21-5-4-20-9;1-19-14-11(13(15)16-8-17-14)12(18-19)10-5-3-4-9(6-10)7-20-2;1-19-13-10(12(15)16-6-17-13)11(18-19)7-3-4-9(20-2)8(14)5-7;1-19-10-7(9(13)15-5-16-10)8(18-19)6-4-14-12(21-3)17-11(6)20-2;1-7-5-8(3-4-14-7)10-9-11(13)15-6-16-12(9)18(2)17-10;1-18-11-8(10(13)15-5-16-11)9(17-18)6-2-3-7(12)14-4-6;1-18-10-7(9(12)15-5-16-10)8(17-18)6-3-13-11(19-2)14-4-6;1-17-10-7(9(11)14-5-15-10)8(16-17)6-2-12-4-13-3-6/h2-8,22H,1H3,(H2,17,18,19);4-8H,1-3H3,(H2,17,18,19);3-4,7-8H,2,5-6H2,1H3,(H2,16,17,18);2-3,6-7H,4-5H2,1H3,(H2,15,16,17);3-6,8H,7H2,1-2H3,(H2,15,16,17);3-6H,1-2H3,(H2,15,16,17);4-5H,1-3H3,(H2,13,15,16);3-6H,1-2H3,(H2,13,15,16);2-5H,1H3,(H2,13,15,16);3-5H,1-2H3,(H2,12,15,16);2-5H,1H3,(H2,11,14,15)
InChIKeyBMIVKWLUWIYIAF-UHFFFAOYSA-N
XLogP15.90
TPSA981.47 Ų
H-Bond Donors12
H-Bond Acceptors74
Rotatable Bonds19
Heavy Atoms220
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002988.56
LogP ≤ 515.90
H-Bond Donors ≤ 512
H-Bond Acceptors ≤ 1074

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Analyze 6-(4-amino-1-methylpyrazolo[3,4-d]pyrimidin-3-yl)naphthalen-2-ol;3-(3-chloro-4-methoxyphenyl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine;3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine;3-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine;3-(2,4-dimethoxypyrimidin-5-yl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine;3-(3-fluoro-4-propan-2-yloxyphenyl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine;3-(6-fluoro-3-pyridinyl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine;3-[3-(methoxymethyl)phenyl]-1-methylpyrazolo[3,4-d]pyrimidin-4-amine;3-(2-methoxypyrimidin-5-yl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine;1-methyl-3-(2-methyl-4-pyridinyl)pyrazolo[3,4-d]pyrimidin-4-amine;1-methyl-3-pyrimidin-5-ylpyrazolo[3,4-d]pyrimidin-4-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 6-(4-amino-1-methylpyrazolo[3,4-d]pyrimidin-3-yl)naphthalen-2-ol;3-(3-chloro-4-methoxyphenyl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine;3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine;3-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine;3-(2,4-dimethoxypyrimidin-5-yl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine;3-(3-fluoro-4-propan-2-yloxyphenyl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine;3-(6-fluoro-3-pyridinyl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine;3-[3-(methoxymethyl)phenyl]-1-methylpyrazolo[3,4-d]pyrimidin-4-amine;3-(2-methoxypyrimidin-5-yl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine;1-methyl-3-(2-methyl-4-pyridinyl)pyrazolo[3,4-d]pyrimidin-4-amine;1-methyl-3-pyrimidin-5-ylpyrazolo[3,4-d]pyrimidin-4-amine?
The IUPAC name of 6-(4-amino-1-methylpyrazolo[3,4-d]pyrimidin-3-yl)naphthalen-2-ol;3-(3-chloro-4-methoxyphenyl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine;3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine;3-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine;3-(2,4-dimethoxypyrimidin-5-yl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine;3-(3-fluoro-4-propan-2-yloxyphenyl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine;3-(6-fluoro-3-pyridinyl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine;3-[3-(methoxymethyl)phenyl]-1-methylpyrazolo[3,4-d]pyrimidin-4-amine;3-(2-methoxypyrimidin-5-yl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine;1-methyl-3-(2-methyl-4-pyridinyl)pyrazolo[3,4-d]pyrimidin-4-amine;1-methyl-3-pyrimidin-5-ylpyrazolo[3,4-d]pyrimidin-4-amine (CID 157394007) is 6-(4-amino-1-methylpyrazolo[3,4-d]pyrimidin-3-yl)naphthalen-2-ol;3-(3-chloro-4-methoxyphenyl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine;3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine;3-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine;3-(2,4-dimethoxypyrimidin-5-yl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine;3-(3-fluoro-4-propan-2-yloxyphenyl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine;3-(6-fluoro-3-pyridinyl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine;3-[3-(methoxymethyl)phenyl]-1-methylpyrazolo[3,4-d]pyrimidin-4-amine;3-(2-methoxypyrimidin-5-yl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine;1-methyl-3-(2-methyl-4-pyridinyl)pyrazolo[3,4-d]pyrimidin-4-amine;1-methyl-3-pyrimidin-5-ylpyrazolo[3,4-d]pyrimidin-4-amine.
What is the SMILES notation for 6-(4-amino-1-methylpyrazolo[3,4-d]pyrimidin-3-yl)naphthalen-2-ol;3-(3-chloro-4-methoxyphenyl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine;3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine;3-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine;3-(2,4-dimethoxypyrimidin-5-yl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine;3-(3-fluoro-4-propan-2-yloxyphenyl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine;3-(6-fluoro-3-pyridinyl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine;3-[3-(methoxymethyl)phenyl]-1-methylpyrazolo[3,4-d]pyrimidin-4-amine;3-(2-methoxypyrimidin-5-yl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine;1-methyl-3-(2-methyl-4-pyridinyl)pyrazolo[3,4-d]pyrimidin-4-amine;1-methyl-3-pyrimidin-5-ylpyrazolo[3,4-d]pyrimidin-4-amine?
The canonical SMILES for 6-(4-amino-1-methylpyrazolo[3,4-d]pyrimidin-3-yl)naphthalen-2-ol;3-(3-chloro-4-methoxyphenyl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine;3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine;3-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine;3-(2,4-dimethoxypyrimidin-5-yl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine;3-(3-fluoro-4-propan-2-yloxyphenyl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine;3-(6-fluoro-3-pyridinyl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine;3-[3-(methoxymethyl)phenyl]-1-methylpyrazolo[3,4-d]pyrimidin-4-amine;3-(2-methoxypyrimidin-5-yl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine;1-methyl-3-(2-methyl-4-pyridinyl)pyrazolo[3,4-d]pyrimidin-4-amine;1-methyl-3-pyrimidin-5-ylpyrazolo[3,4-d]pyrimidin-4-amine is CC(C)Oc1ccc(-c2nn(C)c3ncnc(N)c23)cc1F.COCc1cccc(-c2nn(C)c3ncnc(N)c23)c1.COc1ccc(-c2nn(C)c3ncnc(N)c23)cc1Cl.COc1ncc(-c2nn(C)c3ncnc(N)c23)c(OC)n1.COc1ncc(-c2nn(C)c3ncnc(N)c23)cn1.Cc1cc(-c2nn(C)c3ncnc(N)c23)ccn1.Cn1nc(-c2ccc(F)nc2)c2c(N)ncnc21.Cn1nc(-c2ccc3c(c2)OCCCO3)c2c(N)ncnc21.Cn1nc(-c2ccc3c(c2)OCCO3)c2c(N)ncnc21.Cn1nc(-c2ccc3cc(O)ccc3c2)c2c(N)ncnc21.Cn1nc(-c2cncnc2)c2c(N)ncnc21.
What is the InChIKey of 6-(4-amino-1-methylpyrazolo[3,4-d]pyrimidin-3-yl)naphthalen-2-ol;3-(3-chloro-4-methoxyphenyl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine;3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine;3-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine;3-(2,4-dimethoxypyrimidin-5-yl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine;3-(3-fluoro-4-propan-2-yloxyphenyl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine;3-(6-fluoro-3-pyridinyl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine;3-[3-(methoxymethyl)phenyl]-1-methylpyrazolo[3,4-d]pyrimidin-4-amine;3-(2-methoxypyrimidin-5-yl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine;1-methyl-3-(2-methyl-4-pyridinyl)pyrazolo[3,4-d]pyrimidin-4-amine;1-methyl-3-pyrimidin-5-ylpyrazolo[3,4-d]pyrimidin-4-amine?
The InChIKey is BMIVKWLUWIYIAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13N5O.C15H16FN5O.C15H15N5O2.C14H13N5O2.C14H15N5O.C13H12ClN5O.C12H13N7O2.C12H12N6.C11H9FN6.C11H11N7O.C10H9N7/c1-21-16-13(15(17)18-8-19-16)14(20-21)11-3-2-10-7-12(22)5-4-9(10)6-11;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;1-20-15-12(14(16)17-8-18-15)13(19-20)9-3-4-10-11(7-9)22-6-2-5-21-10;1-19-14-11(13(15)16-7-17-14)12(18-19)8-2-3-9-10(6-8)21-5-4-20-9;1-19-14-11(13(15)16-8-17-14)12(18-19)10-5-3-4-9(6-10)7-20-2;1-19-13-10(12(15)16-6-17-13)11(18-19)7-3-4-9(20-2)8(14)5-7;1-19-10-7(9(13)15-5-16-10)8(18-19)6-4-14-12(21-3)17-11(6)20-2;1-7-5-8(3-4-14-7)10-9-11(13)15-6-16-12(9)18(2)17-10;1-18-11-8(10(13)15-5-16-11)9(17-18)6-2-3-7(12)14-4-6;1-18-10-7(9(12)15-5-16-10)8(17-18)6-3-13-11(19-2)14-4-6;1-17-10-7(9(11)14-5-15-10)8(16-17)6-2-12-4-13-3-6/h2-8,22H,1H3,(H2,17,18,19);4-8H,1-3H3,(H2,17,18,19);3-4,7-8H,2,5-6H2,1H3,(H2,16,17,18);2-3,6-7H,4-5H2,1H3,(H2,15,16,17);3-6,8H,7H2,1-2H3,(H2,15,16,17);3-6H,1-2H3,(H2,15,16,17);4-5H,1-3H3,(H2,13,15,16);3-6H,1-2H3,(H2,13,15,16);2-5H,1H3,(H2,13,15,16);3-5H,1-2H3,(H2,12,15,16);2-5H,1H3,(H2,11,14,15).
What are the key properties of 6-(4-amino-1-methylpyrazolo[3,4-d]pyrimidin-3-yl)naphthalen-2-ol;3-(3-chloro-4-methoxyphenyl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine;3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine;3-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine;3-(2,4-dimethoxypyrimidin-5-yl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine;3-(3-fluoro-4-propan-2-yloxyphenyl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine;3-(6-fluoro-3-pyridinyl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine;3-[3-(methoxymethyl)phenyl]-1-methylpyrazolo[3,4-d]pyrimidin-4-amine;3-(2-methoxypyrimidin-5-yl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine;1-methyl-3-(2-methyl-4-pyridinyl)pyrazolo[3,4-d]pyrimidin-4-amine;1-methyl-3-pyrimidin-5-ylpyrazolo[3,4-d]pyrimidin-4-amine?
6-(4-amino-1-methylpyrazolo[3,4-d]pyrimidin-3-yl)naphthalen-2-ol;3-(3-chloro-4-methoxyphenyl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine;3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine;3-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine;3-(2,4-dimethoxypyrimidin-5-yl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine;3-(3-fluoro-4-propan-2-yloxyphenyl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine;3-(6-fluoro-3-pyridinyl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine;3-[3-(methoxymethyl)phenyl]-1-methylpyrazolo[3,4-d]pyrimidin-4-amine;3-(2-methoxypyrimidin-5-yl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine;1-methyl-3-(2-methyl-4-pyridinyl)pyrazolo[3,4-d]pyrimidin-4-amine;1-methyl-3-pyrimidin-5-ylpyrazolo[3,4-d]pyrimidin-4-amine has a molecular weight of 2988.56 g/mol, XLogP of 15.90, 19 rotatable bonds, 12 hydrogen bond donors, and 74 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-amino-1-methylpyrazolo[3,4-d]pyrimidin-3-yl)naphthalen-2-ol;3-(3-chloro-4-methoxyphenyl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine;3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine;3-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine;3-(2,4-dimethoxypyrimidin-5-yl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine;3-(3-fluoro-4-propan-2-yloxyphenyl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine;3-(6-fluoro-3-pyridinyl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine;3-[3-(methoxymethyl)phenyl]-1-methylpyrazolo[3,4-d]pyrimidin-4-amine;3-(2-methoxypyrimidin-5-yl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine;1-methyl-3-(2-methyl-4-pyridinyl)pyrazolo[3,4-d]pyrimidin-4-amine;1-methyl-3-pyrimidin-5-ylpyrazolo[3,4-d]pyrimidin-4-amine is sourced from PubChem (CID 157394007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).