2-[4-amino-3-(2-methyl-1,3-benzoxazol-5-yl)pyrazolo[3,4-d]pyrimidin-1-yl]-2-methylpropan-1-ol;2-[4-amino-3-(2-methyl-1,3-benzoxazol-5-yl)pyrazolo[3,4-d]pyrimidin-1-yl]propan-1-ol;3-(2-methyl-1,3-benzoxazol-5-yl)-1-(oxan-4-yl)pyrazolo[3,4-d]pyrimidin-4-amine;3-(2-methyl-1,3-benzoxazol-5-yl)-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-4-amine;5-(2-methyl-1,3-benzoxazol-5-yl)-7-propan-2-ylpyrrolo[2,3-d]pyrimidin-4-amine

C84H85N29O8 — CID 158282678

IUPAC2-[4-amino-3-(2-methyl-1,3-benzoxazol-5-yl)pyrazolo[3,4-d]pyrimidin-1-yl]-2-methylpropan-1-ol;2-[4-amino-3-(2-methyl-1,3-benzoxazol-5-yl)pyrazolo[3,4-d]pyrimidin-1-yl]propan-1-ol;3-(2-methyl-1,3-benzoxazol-5-yl)-1-(oxan-4-yl)pyrazolo[3,4-d]pyrimidin-4-amine;3-(2-methyl-1,3-benzoxazol-5-yl)-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-4-amine;5-(2-methyl-1,3-benzoxazol-5-yl)-7-propan-2-ylpyrrolo[2,3-d]pyrimidin-4-amine
SMILESCc1nc2cc(-c3cn(C(C)C)c4ncnc(N)c34)ccc2o1.Cc1nc2cc(-c3nn(C(C)(C)CO)c4ncnc(N)c34)ccc2o1.Cc1nc2cc(-c3nn(C(C)C)c4ncnc(N)c34)ccc2o1.Cc1nc2cc(-c3nn(C(C)CO)c4ncnc(N)c34)ccc2o1.Cc1nc2cc(-c3nn(C4CCOCC4)c4ncnc(N)c34)ccc2o1
InChIInChI=1S/C18H18N6O2.C17H18N6O2.C17H17N5O.C16H16N6O2.C16H16N6O/c1-10-22-13-8-11(2-3-14(13)26-10)16-15-17(19)20-9-21-18(15)24(23-16)12-4-6-25-7-5-12;1-9-21-11-6-10(4-5-12(11)25-9)14-13-15(18)19-8-20-16(13)23(22-14)17(2,3)7-24;1-9(2)22-7-12(15-16(18)19-8-20-17(15)22)11-4-5-14-13(6-11)21-10(3)23-14;1-8(6-23)22-16-13(15(17)18-7-19-16)14(21-22)10-3-4-12-11(5-10)20-9(2)24-12;1-8(2)22-16-13(15(17)18-7-19-16)14(21-22)10-4-5-12-11(6-10)20-9(3)23-12/h2-3,8-9,12H,4-7H2,1H3,(H2,19,20,21);4-6,8,24H,7H2,1-3H3,(H2,18,19,20);4-9H,1-3H3,(H2,18,19,20);3-5,7-8,23H,6H2,1-2H3,(H2,17,18,19);4-8H,1-3H3,(H2,17,18,19)
InChIKeyGKKBGLYCQCRYKR-UHFFFAOYSA-N
MW1628.80 g/mol
LogP14.02
Rot. Bonds12

About 2-[4-amino-3-(2-methyl-1,3-benzoxazol-5-yl)pyrazolo[3,4-d]pyrimidin-1-yl]-2-methylpropan-1-ol;2-[4-amino-3-(2-methyl-1,3-benzoxazol-5-yl)pyrazolo[3,4-d]pyrimidin-1-yl]propan-1-ol;3-(2-methyl-1,3-benzoxazol-5-yl)-1-(oxan-4-yl)pyrazolo[3,4-d]pyrimidin-4-amine;3-(2-methyl-1,3-benzoxazol-5-yl)-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-4-amine;5-(2-methyl-1,3-benzoxazol-5-yl)-7-propan-2-ylpyrrolo[2,3-d]pyrimidin-4-amine

2-[4-amino-3-(2-methyl-1,3-benzoxazol-5-yl)pyrazolo[3,4-d]pyrimidin-1-yl]-2-methylpropan-1-ol;2-[4-amino-3-(2-methyl-1,3-benzoxazol-5-yl)pyrazolo[3,4-d]pyrimidin-1-yl]propan-1-ol;3-(2-methyl-1,3-benzoxazol-5-yl)-1-(oxan-4-yl)pyrazolo[3,4-d]pyrimidin-4-amine;3-(2-methyl-1,3-benzoxazol-5-yl)-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-4-amine;5-(2-methyl-1,3-benzoxazol-5-yl)-7-propan-2-ylpyrrolo[2,3-d]pyrimidin-4-amine (PubChem CID 158282678) has the molecular formula C84H85N29O8 and a molecular weight of 1628.80 g/mol. Its IUPAC name is 2-[4-amino-3-(2-methyl-1,3-benzoxazol-5-yl)pyrazolo[3,4-d]pyrimidin-1-yl]-2-methylpropan-1-ol;2-[4-amino-3-(2-methyl-1,3-benzoxazol-5-yl)pyrazolo[3,4-d]pyrimidin-1-yl]propan-1-ol;3-(2-methyl-1,3-benzoxazol-5-yl)-1-(oxan-4-yl)pyrazolo[3,4-d]pyrimidin-4-amine;3-(2-methyl-1,3-benzoxazol-5-yl)-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-4-amine;5-(2-methyl-1,3-benzoxazol-5-yl)-7-propan-2-ylpyrrolo[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound Name2-[4-amino-3-(2-methyl-1,3-benzoxazol-5-yl)pyrazolo[3,4-d]pyrimidin-1-yl]-2-methylpropan-1-ol;2-[4-amino-3-(2-methyl-1,3-benzoxazol-5-yl)pyrazolo[3,4-d]pyrimidin-1-yl]propan-1-ol;3-(2-methyl-1,3-benzoxazol-5-yl)-1-(oxan-4-yl)pyrazolo[3,4-d]pyrimidin-4-amine;3-(2-methyl-1,3-benzoxazol-5-yl)-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-4-amine;5-(2-methyl-1,3-benzoxazol-5-yl)-7-propan-2-ylpyrrolo[2,3-d]pyrimidin-4-amine
PubChem CID158282678
Molecular FormulaC84H85N29O8
Molecular Weight1628.80 g/mol
Exact Mass1627.71
IUPAC Name2-[4-amino-3-(2-methyl-1,3-benzoxazol-5-yl)pyrazolo[3,4-d]pyrimidin-1-yl]-2-methylpropan-1-ol;2-[4-amino-3-(2-methyl-1,3-benzoxazol-5-yl)pyrazolo[3,4-d]pyrimidin-1-yl]propan-1-ol;3-(2-methyl-1,3-benzoxazol-5-yl)-1-(oxan-4-yl)pyrazolo[3,4-d]pyrimidin-4-amine;3-(2-methyl-1,3-benzoxazol-5-yl)-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-4-amine;5-(2-methyl-1,3-benzoxazol-5-yl)-7-propan-2-ylpyrrolo[2,3-d]pyrimidin-4-amine
SMILESCc1nc2cc(-c3cn(C(C)C)c4ncnc(N)c34)ccc2o1.Cc1nc2cc(-c3nn(C(C)(C)CO)c4ncnc(N)c34)ccc2o1.Cc1nc2cc(-c3nn(C(C)C)c4ncnc(N)c34)ccc2o1.Cc1nc2cc(-c3nn(C(C)CO)c4ncnc(N)c34)ccc2o1.Cc1nc2cc(-c3nn(C4CCOCC4)c4ncnc(N)c34)ccc2o1
InChIInChI=1S/C18H18N6O2.C17H18N6O2.C17H17N5O.C16H16N6O2.C16H16N6O/c1-10-22-13-8-11(2-3-14(13)26-10)16-15-17(19)20-9-21-18(15)24(23-16)12-4-6-25-7-5-12;1-9-21-11-6-10(4-5-12(11)25-9)14-13-15(18)19-8-20-16(13)23(22-14)17(2,3)7-24;1-9(2)22-7-12(15-16(18)19-8-20-17(15)22)11-4-5-14-13(6-11)21-10(3)23-14;1-8(6-23)22-16-13(15(17)18-7-19-16)14(21-22)10-3-4-12-11(5-10)20-9(2)24-12;1-8(2)22-16-13(15(17)18-7-19-16)14(21-22)10-4-5-12-11(6-10)20-9(3)23-12/h2-3,8-9,12H,4-7H2,1H3,(H2,19,20,21);4-6,8,24H,7H2,1-3H3,(H2,18,19,20);4-9H,1-3H3,(H2,18,19,20);3-5,7-8,23H,6H2,1-2H3,(H2,17,18,19);4-8H,1-3H3,(H2,17,18,19)
InChIKeyGKKBGLYCQCRYKR-UHFFFAOYSA-N
XLogP14.02
TPSA515.05 Ų
H-Bond Donors7
H-Bond Acceptors37
Rotatable Bonds12
Heavy Atoms121
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001628.80
LogP ≤ 514.02
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 1037

Analyze 2-[4-amino-3-(2-methyl-1,3-benzoxazol-5-yl)pyrazolo[3,4-d]pyrimidin-1-yl]-2-methylpropan-1-ol;2-[4-amino-3-(2-methyl-1,3-benzoxazol-5-yl)pyrazolo[3,4-d]pyrimidin-1-yl]propan-1-ol;3-(2-methyl-1,3-benzoxazol-5-yl)-1-(oxan-4-yl)pyrazolo[3,4-d]pyrimidin-4-amine;3-(2-methyl-1,3-benzoxazol-5-yl)-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-4-amine;5-(2-methyl-1,3-benzoxazol-5-yl)-7-propan-2-ylpyrrolo[2,3-d]pyrimidin-4-amine with MolForge

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Launch Full Analysis

Related Compounds

5-(4-amino-6-methyl-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-3-yl)-1,3-benzoxazol-2-amine;5-[4-amino-1-(oxan-4-yl)pyrazolo[3,4-d]pyrimidin-3-yl]-1,3-benzoxazol-2-amine;5-(4-amino-2-propan-2-yl-6,7-dihydro-1H-pyrazolo[5,4-d]pyrimidin-2-ium-3-yl)-1,3-benzoxazol-2-amine;bis(5-(4-amino-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-3-yl)-1,3-benzoxazol-2-amine)
CID 160883249
5-[4-amino-1-(4-morpholin-4-ylcyclohexyl)pyrazolo[3,4-d]pyrimidin-3-yl]-1,3-benzoxazol-2-amine
CID 46195246
5-(4-amino-1-tert-butylpyrazolo[3,4-d]pyrimidin-3-yl)-1,3-benzoxazol-2-amine
CID 171614492
3-(3,4-dimethylphenyl)-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-4-amine
CID 53345583
3-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-4-amine
CID 24905172
CID 174001207
CID 174001207
4-(4-amino-7-propan-2-ylpyrrolo[2,3-d]pyrimidin-5-yl)phenol
CID 19597475
5-(4-amino-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-3-yl)-2-methylphenol
CID 24905287
1-propan-2-yl-3-quinolin-6-ylpyrazolo[3,4-d]pyrimidin-4-amine
CID 24905152
5-[4-amino-1-[(3S)-oxolan-3-yl]pyrazolo[3,4-d]pyrimidin-3-yl]-2-chlorophenol
CID 24905317
3-(4-amino-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-3-yl)phenol
CID 24905143
3-(4-amino-3-fluorophenyl)-1-(oxolan-3-yl)pyrazolo[3,4-d]pyrimidin-4-amine
CID 162386398

Frequently Asked Questions

What is the IUPAC name of 2-[4-amino-3-(2-methyl-1,3-benzoxazol-5-yl)pyrazolo[3,4-d]pyrimidin-1-yl]-2-methylpropan-1-ol;2-[4-amino-3-(2-methyl-1,3-benzoxazol-5-yl)pyrazolo[3,4-d]pyrimidin-1-yl]propan-1-ol;3-(2-methyl-1,3-benzoxazol-5-yl)-1-(oxan-4-yl)pyrazolo[3,4-d]pyrimidin-4-amine;3-(2-methyl-1,3-benzoxazol-5-yl)-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-4-amine;5-(2-methyl-1,3-benzoxazol-5-yl)-7-propan-2-ylpyrrolo[2,3-d]pyrimidin-4-amine?
The IUPAC name of 2-[4-amino-3-(2-methyl-1,3-benzoxazol-5-yl)pyrazolo[3,4-d]pyrimidin-1-yl]-2-methylpropan-1-ol;2-[4-amino-3-(2-methyl-1,3-benzoxazol-5-yl)pyrazolo[3,4-d]pyrimidin-1-yl]propan-1-ol;3-(2-methyl-1,3-benzoxazol-5-yl)-1-(oxan-4-yl)pyrazolo[3,4-d]pyrimidin-4-amine;3-(2-methyl-1,3-benzoxazol-5-yl)-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-4-amine;5-(2-methyl-1,3-benzoxazol-5-yl)-7-propan-2-ylpyrrolo[2,3-d]pyrimidin-4-amine (CID 158282678) is 2-[4-amino-3-(2-methyl-1,3-benzoxazol-5-yl)pyrazolo[3,4-d]pyrimidin-1-yl]-2-methylpropan-1-ol;2-[4-amino-3-(2-methyl-1,3-benzoxazol-5-yl)pyrazolo[3,4-d]pyrimidin-1-yl]propan-1-ol;3-(2-methyl-1,3-benzoxazol-5-yl)-1-(oxan-4-yl)pyrazolo[3,4-d]pyrimidin-4-amine;3-(2-methyl-1,3-benzoxazol-5-yl)-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-4-amine;5-(2-methyl-1,3-benzoxazol-5-yl)-7-propan-2-ylpyrrolo[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for 2-[4-amino-3-(2-methyl-1,3-benzoxazol-5-yl)pyrazolo[3,4-d]pyrimidin-1-yl]-2-methylpropan-1-ol;2-[4-amino-3-(2-methyl-1,3-benzoxazol-5-yl)pyrazolo[3,4-d]pyrimidin-1-yl]propan-1-ol;3-(2-methyl-1,3-benzoxazol-5-yl)-1-(oxan-4-yl)pyrazolo[3,4-d]pyrimidin-4-amine;3-(2-methyl-1,3-benzoxazol-5-yl)-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-4-amine;5-(2-methyl-1,3-benzoxazol-5-yl)-7-propan-2-ylpyrrolo[2,3-d]pyrimidin-4-amine?
The canonical SMILES for 2-[4-amino-3-(2-methyl-1,3-benzoxazol-5-yl)pyrazolo[3,4-d]pyrimidin-1-yl]-2-methylpropan-1-ol;2-[4-amino-3-(2-methyl-1,3-benzoxazol-5-yl)pyrazolo[3,4-d]pyrimidin-1-yl]propan-1-ol;3-(2-methyl-1,3-benzoxazol-5-yl)-1-(oxan-4-yl)pyrazolo[3,4-d]pyrimidin-4-amine;3-(2-methyl-1,3-benzoxazol-5-yl)-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-4-amine;5-(2-methyl-1,3-benzoxazol-5-yl)-7-propan-2-ylpyrrolo[2,3-d]pyrimidin-4-amine is Cc1nc2cc(-c3cn(C(C)C)c4ncnc(N)c34)ccc2o1.Cc1nc2cc(-c3nn(C(C)(C)CO)c4ncnc(N)c34)ccc2o1.Cc1nc2cc(-c3nn(C(C)C)c4ncnc(N)c34)ccc2o1.Cc1nc2cc(-c3nn(C(C)CO)c4ncnc(N)c34)ccc2o1.Cc1nc2cc(-c3nn(C4CCOCC4)c4ncnc(N)c34)ccc2o1.
What is the InChIKey of 2-[4-amino-3-(2-methyl-1,3-benzoxazol-5-yl)pyrazolo[3,4-d]pyrimidin-1-yl]-2-methylpropan-1-ol;2-[4-amino-3-(2-methyl-1,3-benzoxazol-5-yl)pyrazolo[3,4-d]pyrimidin-1-yl]propan-1-ol;3-(2-methyl-1,3-benzoxazol-5-yl)-1-(oxan-4-yl)pyrazolo[3,4-d]pyrimidin-4-amine;3-(2-methyl-1,3-benzoxazol-5-yl)-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-4-amine;5-(2-methyl-1,3-benzoxazol-5-yl)-7-propan-2-ylpyrrolo[2,3-d]pyrimidin-4-amine?
The InChIKey is GKKBGLYCQCRYKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N6O2.C17H18N6O2.C17H17N5O.C16H16N6O2.C16H16N6O/c1-10-22-13-8-11(2-3-14(13)26-10)16-15-17(19)20-9-21-18(15)24(23-16)12-4-6-25-7-5-12;1-9-21-11-6-10(4-5-12(11)25-9)14-13-15(18)19-8-20-16(13)23(22-14)17(2,3)7-24;1-9(2)22-7-12(15-16(18)19-8-20-17(15)22)11-4-5-14-13(6-11)21-10(3)23-14;1-8(6-23)22-16-13(15(17)18-7-19-16)14(21-22)10-3-4-12-11(5-10)20-9(2)24-12;1-8(2)22-16-13(15(17)18-7-19-16)14(21-22)10-4-5-12-11(6-10)20-9(3)23-12/h2-3,8-9,12H,4-7H2,1H3,(H2,19,20,21);4-6,8,24H,7H2,1-3H3,(H2,18,19,20);4-9H,1-3H3,(H2,18,19,20);3-5,7-8,23H,6H2,1-2H3,(H2,17,18,19);4-8H,1-3H3,(H2,17,18,19).
What are the key properties of 2-[4-amino-3-(2-methyl-1,3-benzoxazol-5-yl)pyrazolo[3,4-d]pyrimidin-1-yl]-2-methylpropan-1-ol;2-[4-amino-3-(2-methyl-1,3-benzoxazol-5-yl)pyrazolo[3,4-d]pyrimidin-1-yl]propan-1-ol;3-(2-methyl-1,3-benzoxazol-5-yl)-1-(oxan-4-yl)pyrazolo[3,4-d]pyrimidin-4-amine;3-(2-methyl-1,3-benzoxazol-5-yl)-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-4-amine;5-(2-methyl-1,3-benzoxazol-5-yl)-7-propan-2-ylpyrrolo[2,3-d]pyrimidin-4-amine?
2-[4-amino-3-(2-methyl-1,3-benzoxazol-5-yl)pyrazolo[3,4-d]pyrimidin-1-yl]-2-methylpropan-1-ol;2-[4-amino-3-(2-methyl-1,3-benzoxazol-5-yl)pyrazolo[3,4-d]pyrimidin-1-yl]propan-1-ol;3-(2-methyl-1,3-benzoxazol-5-yl)-1-(oxan-4-yl)pyrazolo[3,4-d]pyrimidin-4-amine;3-(2-methyl-1,3-benzoxazol-5-yl)-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-4-amine;5-(2-methyl-1,3-benzoxazol-5-yl)-7-propan-2-ylpyrrolo[2,3-d]pyrimidin-4-amine has a molecular weight of 1628.80 g/mol, XLogP of 14.02, 12 rotatable bonds, 7 hydrogen bond donors, and 37 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-amino-3-(2-methyl-1,3-benzoxazol-5-yl)pyrazolo[3,4-d]pyrimidin-1-yl]-2-methylpropan-1-ol;2-[4-amino-3-(2-methyl-1,3-benzoxazol-5-yl)pyrazolo[3,4-d]pyrimidin-1-yl]propan-1-ol;3-(2-methyl-1,3-benzoxazol-5-yl)-1-(oxan-4-yl)pyrazolo[3,4-d]pyrimidin-4-amine;3-(2-methyl-1,3-benzoxazol-5-yl)-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-4-amine;5-(2-methyl-1,3-benzoxazol-5-yl)-7-propan-2-ylpyrrolo[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 158282678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).