5-(4-amino-6-methyl-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-3-yl)-1,3-benzoxazol-2-amine;5-[4-amino-1-(2-morpholin-4-ylethyl)pyrazolo[3,4-d]pyrimidin-3-yl]-1,2-benzoxazol-3-amine;5-(4-amino-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-3-yl)-1,3-benzoxazol-2-amine;methyl N-[5-(4-amino-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-3-yl)-1,2-benzoxazol-3-yl]carbamate

C66H69N29O7 — CID 159558140

About 5-(4-amino-6-methyl-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-3-yl)-1,3-benzoxazol-2-amine;5-[4-amino-1-(2-morpholin-4-ylethyl)pyrazolo[3,4-d]pyrimidin-3-yl]-1,2-benzoxazol-3-amine;5-(4-amino-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-3-yl)-1,3-benzoxazol-2-amine;methyl N-[5-(4-amino-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-3-yl)-1,2-benzoxazol-3-yl]carbamate

5-(4-amino-6-methyl-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-3-yl)-1,3-benzoxazol-2-amine;5-[4-amino-1-(2-morpholin-4-ylethyl)pyrazolo[3,4-d]pyrimidin-3-yl]-1,2-benzoxazol-3-amine;5-(4-amino-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-3-yl)-1,3-benzoxazol-2-amine;methyl N-[5-(4-amino-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-3-yl)-1,2-benzoxazol-3-yl]carbamate (PubChem CID 159558140) has the molecular formula C66H69N29O7 and a molecular weight of 1380.47 g/mol. Its IUPAC name is 5-(4-amino-6-methyl-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-3-yl)-1,3-benzoxazol-2-amine;5-[4-amino-1-(2-morpholin-4-ylethyl)pyrazolo[3,4-d]pyrimidin-3-yl]-1,2-benzoxazol-3-amine;5-(4-amino-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-3-yl)-1,3-benzoxazol-2-amine;methyl N-[5-(4-amino-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-3-yl)-1,2-benzoxazol-3-yl]carbamate.

Molecular Properties

• Compound Name: 5-(4-amino-6-methyl-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-3-yl)-1,3-benzoxazol-2-amine;5-[4-amino-1-(2-morpholin-4-ylethyl)pyrazolo[3,4-d]pyrimidin-3-yl]-1,2-benzoxazol-3-amine;5-(4-amino-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-3-yl)-1,3-benzoxazol-2-amine;methyl N-[5-(4-amino-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-3-yl)-1,2-benzoxazol-3-yl]carbamate
• PubChem CID: 159558140
• Molecular Formula: C66H69N29O7
• Molecular Weight: 1380.47 g/mol
• Exact Mass: 1379.59
• IUPAC Name: 5-(4-amino-6-methyl-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-3-yl)-1,3-benzoxazol-2-amine;5-[4-amino-1-(2-morpholin-4-ylethyl)pyrazolo[3,4-d]pyrimidin-3-yl]-1,2-benzoxazol-3-amine;5-(4-amino-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-3-yl)-1,3-benzoxazol-2-amine;methyl N-[5-(4-amino-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-3-yl)-1,2-benzoxazol-3-yl]carbamate
• SMILES: CC(C)n1nc(-c2ccc3oc(N)nc3c2)c2c(N)ncnc21.COC(=O)Nc1noc2ccc(-c3nn(C(C)C)c4ncnc(N)c34)cc12.Cc1nc(N)c2c(-c3ccc4oc(N)nc4c3)nn(C(C)C)c2n1.Nc1noc2ccc(-c3nn(CCN4CCOCC4)c4ncnc(N)c34)cc12
• InChI: InChI=1S/C18H20N8O2.C17H17N7O3.C16H17N7O.C15H15N7O/c19-16-12-9-11(1-2-13(12)28-24-16)15-14-17(20)21-10-22-18(14)26(23-15)4-3-25-5-7-27-8-6-25;1-8(2)24-16-12(14(18)19-7-20-16)13(22-24)9-4-5-11-10(6-9)15(23-27-11)21-17(25)26-3;1-7(2)23-15-12(14(17)19-8(3)20-15)13(22-23)9-4-5-11-10(6-9)21-16(18)24-11;1-7(2)22-14-11(13(16)18-6-19-14)12(21-22)8-3-4-10-9(5-8)20-15(17)23-10/h1-2,9-10H,3-8H2,(H2,19,24)(H2,20,21,22);4-8H,1-3H3,(H2,18,19,20)(H,21,23,25);4-7H,1-3H3,(H2,18,21)(H2,17,19,20);3-7H,1-2H3,(H2,17,20)(H2,16,18,19)
• InChIKey: MGGIJGQFHOWFIL-UHFFFAOYSA-N
• XLogP: 9.18
• TPSA: 511.46 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 35
• Rotatable Bonds: 11
• Heavy Atoms: 102
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1380.47
LogP ≤ 5	9.18
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	35

Frequently Asked Questions

What is the IUPAC name of 5-(4-amino-6-methyl-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-3-yl)-1,3-benzoxazol-2-amine;5-[4-amino-1-(2-morpholin-4-ylethyl)pyrazolo[3,4-d]pyrimidin-3-yl]-1,2-benzoxazol-3-amine;5-(4-amino-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-3-yl)-1,3-benzoxazol-2-amine;methyl N-[5-(4-amino-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-3-yl)-1,2-benzoxazol-3-yl]carbamate?

The IUPAC name of 5-(4-amino-6-methyl-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-3-yl)-1,3-benzoxazol-2-amine;5-[4-amino-1-(2-morpholin-4-ylethyl)pyrazolo[3,4-d]pyrimidin-3-yl]-1,2-benzoxazol-3-amine;5-(4-amino-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-3-yl)-1,3-benzoxazol-2-amine;methyl N-[5-(4-amino-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-3-yl)-1,2-benzoxazol-3-yl]carbamate (CID 159558140) is 5-(4-amino-6-methyl-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-3-yl)-1,3-benzoxazol-2-amine;5-[4-amino-1-(2-morpholin-4-ylethyl)pyrazolo[3,4-d]pyrimidin-3-yl]-1,2-benzoxazol-3-amine;5-(4-amino-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-3-yl)-1,3-benzoxazol-2-amine;methyl N-[5-(4-amino-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-3-yl)-1,2-benzoxazol-3-yl]carbamate.

What is the SMILES notation for 5-(4-amino-6-methyl-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-3-yl)-1,3-benzoxazol-2-amine;5-[4-amino-1-(2-morpholin-4-ylethyl)pyrazolo[3,4-d]pyrimidin-3-yl]-1,2-benzoxazol-3-amine;5-(4-amino-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-3-yl)-1,3-benzoxazol-2-amine;methyl N-[5-(4-amino-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-3-yl)-1,2-benzoxazol-3-yl]carbamate?

The canonical SMILES for 5-(4-amino-6-methyl-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-3-yl)-1,3-benzoxazol-2-amine;5-[4-amino-1-(2-morpholin-4-ylethyl)pyrazolo[3,4-d]pyrimidin-3-yl]-1,2-benzoxazol-3-amine;5-(4-amino-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-3-yl)-1,3-benzoxazol-2-amine;methyl N-[5-(4-amino-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-3-yl)-1,2-benzoxazol-3-yl]carbamate is CC(C)n1nc(-c2ccc3oc(N)nc3c2)c2c(N)ncnc21.COC(=O)Nc1noc2ccc(-c3nn(C(C)C)c4ncnc(N)c34)cc12.Cc1nc(N)c2c(-c3ccc4oc(N)nc4c3)nn(C(C)C)c2n1.Nc1noc2ccc(-c3nn(CCN4CCOCC4)c4ncnc(N)c34)cc12.

What is the InChIKey of 5-(4-amino-6-methyl-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-3-yl)-1,3-benzoxazol-2-amine;5-[4-amino-1-(2-morpholin-4-ylethyl)pyrazolo[3,4-d]pyrimidin-3-yl]-1,2-benzoxazol-3-amine;5-(4-amino-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-3-yl)-1,3-benzoxazol-2-amine;methyl N-[5-(4-amino-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-3-yl)-1,2-benzoxazol-3-yl]carbamate?

The InChIKey is MGGIJGQFHOWFIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N8O2.C17H17N7O3.C16H17N7O.C15H15N7O/c19-16-12-9-11(1-2-13(12)28-24-16)15-14-17(20)21-10-22-18(14)26(23-15)4-3-25-5-7-27-8-6-25;1-8(2)24-16-12(14(18)19-7-20-16)13(22-24)9-4-5-11-10(6-9)15(23-27-11)21-17(25)26-3;1-7(2)23-15-12(14(17)19-8(3)20-15)13(22-23)9-4-5-11-10(6-9)21-16(18)24-11;1-7(2)22-14-11(13(16)18-6-19-14)12(21-22)8-3-4-10-9(5-8)20-15(17)23-10/h1-2,9-10H,3-8H2,(H2,19,24)(H2,20,21,22);4-8H,1-3H3,(H2,18,19,20)(H,21,23,25);4-7H,1-3H3,(H2,18,21)(H2,17,19,20);3-7H,1-2H3,(H2,17,20)(H2,16,18,19).

What are the key properties of 5-(4-amino-6-methyl-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-3-yl)-1,3-benzoxazol-2-amine;5-[4-amino-1-(2-morpholin-4-ylethyl)pyrazolo[3,4-d]pyrimidin-3-yl]-1,2-benzoxazol-3-amine;5-(4-amino-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-3-yl)-1,3-benzoxazol-2-amine;methyl N-[5-(4-amino-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-3-yl)-1,2-benzoxazol-3-yl]carbamate?

5-(4-amino-6-methyl-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-3-yl)-1,3-benzoxazol-2-amine;5-[4-amino-1-(2-morpholin-4-ylethyl)pyrazolo[3,4-d]pyrimidin-3-yl]-1,2-benzoxazol-3-amine;5-(4-amino-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-3-yl)-1,3-benzoxazol-2-amine;methyl N-[5-(4-amino-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-3-yl)-1,2-benzoxazol-3-yl]carbamate has a molecular weight of 1380.47 g/mol, XLogP of 9.18, 11 rotatable bonds, 8 hydrogen bond donors, and 35 hydrogen bond acceptors.

Where does this data come from?

All data for 5-(4-amino-6-methyl-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-3-yl)-1,3-benzoxazol-2-amine;5-[4-amino-1-(2-morpholin-4-ylethyl)pyrazolo[3,4-d]pyrimidin-3-yl]-1,2-benzoxazol-3-amine;5-(4-amino-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-3-yl)-1,3-benzoxazol-2-amine;methyl N-[5-(4-amino-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-3-yl)-1,2-benzoxazol-3-yl]carbamate is sourced from PubChem (CID 159558140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).