2-(4-amino-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-3-yl)-7-chloro-1H-indol-5-ol;2-(4-amino-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-3-yl)-7-fluoro-1H-indol-5-ol;3-(5-chloro-1H-indol-2-yl)-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-4-amine;3-(5-methoxy-1H-pyrrolo[3,2-b]pyridin-2-yl)-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-4-amine

C64H62Cl2FN25O3 — CID 158174543

About 2-(4-amino-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-3-yl)-7-chloro-1H-indol-5-ol;2-(4-amino-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-3-yl)-7-fluoro-1H-indol-5-ol;3-(5-chloro-1H-indol-2-yl)-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-4-amine;3-(5-methoxy-1H-pyrrolo[3,2-b]pyridin-2-yl)-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-4-amine

2-(4-amino-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-3-yl)-7-chloro-1H-indol-5-ol;2-(4-amino-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-3-yl)-7-fluoro-1H-indol-5-ol;3-(5-chloro-1H-indol-2-yl)-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-4-amine;3-(5-methoxy-1H-pyrrolo[3,2-b]pyridin-2-yl)-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-4-amine (PubChem CID 158174543) has the molecular formula C64H62Cl2FN25O3 and a molecular weight of 1319.28 g/mol. Its IUPAC name is 2-(4-amino-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-3-yl)-7-chloro-1H-indol-5-ol;2-(4-amino-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-3-yl)-7-fluoro-1H-indol-5-ol;3-(5-chloro-1H-indol-2-yl)-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-4-amine;3-(5-methoxy-1H-pyrrolo[3,2-b]pyridin-2-yl)-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-4-amine.

Molecular Properties

• Compound Name: 2-(4-amino-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-3-yl)-7-chloro-1H-indol-5-ol;2-(4-amino-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-3-yl)-7-fluoro-1H-indol-5-ol;3-(5-chloro-1H-indol-2-yl)-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-4-amine;3-(5-methoxy-1H-pyrrolo[3,2-b]pyridin-2-yl)-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-4-amine
• PubChem CID: 158174543
• Molecular Formula: C64H62Cl2FN25O3
• Molecular Weight: 1319.28 g/mol
• Exact Mass: 1317.48
• IUPAC Name: 2-(4-amino-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-3-yl)-7-chloro-1H-indol-5-ol;2-(4-amino-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-3-yl)-7-fluoro-1H-indol-5-ol;3-(5-chloro-1H-indol-2-yl)-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-4-amine;3-(5-methoxy-1H-pyrrolo[3,2-b]pyridin-2-yl)-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-4-amine
• SMILES: CC(C)n1nc(-c2cc3cc(Cl)ccc3[nH]2)c2c(N)ncnc21.CC(C)n1nc(-c2cc3cc(O)cc(Cl)c3[nH]2)c2c(N)ncnc21.CC(C)n1nc(-c2cc3cc(O)cc(F)c3[nH]2)c2c(N)ncnc21.COc1ccc2[nH]c(-c3nn(C(C)C)c4ncnc(N)c34)cc2n1
• InChI: InChI=1S/C16H15ClN6O.C16H15ClN6.C16H15FN6O.C16H17N7O/c1-7(2)23-16-12(15(18)19-6-20-16)14(22-23)11-4-8-3-9(24)5-10(17)13(8)21-11;1-8(2)23-16-13(15(18)19-7-20-16)14(22-23)12-6-9-5-10(17)3-4-11(9)21-12;1-7(2)23-16-12(15(18)19-6-20-16)14(22-23)11-4-8-3-9(24)5-10(17)13(8)21-11;1-8(2)23-16-13(15(17)18-7-19-16)14(22-23)11-6-10-9(20-11)4-5-12(21-10)24-3/h3-7,21,24H,1-2H3,(H2,18,19,20);3-8,21H,1-2H3,(H2,18,19,20);3-7,21,24H,1-2H3,(H2,18,19,20);4-8,20H,1-3H3,(H2,17,18,19)
• InChIKey: FXVSTERQGNMATP-UHFFFAOYSA-N
• XLogP: 12.81
• TPSA: 404.22 Ų
• H-Bond Donors: 10
• H-Bond Acceptors: 24
• Rotatable Bonds: 9
• Heavy Atoms: 95
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1319.28
LogP ≤ 5	12.81
H-Bond Donors ≤ 5	10
H-Bond Acceptors ≤ 10	24

Frequently Asked Questions

What is the IUPAC name of 2-(4-amino-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-3-yl)-7-chloro-1H-indol-5-ol;2-(4-amino-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-3-yl)-7-fluoro-1H-indol-5-ol;3-(5-chloro-1H-indol-2-yl)-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-4-amine;3-(5-methoxy-1H-pyrrolo[3,2-b]pyridin-2-yl)-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-4-amine?

The IUPAC name of 2-(4-amino-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-3-yl)-7-chloro-1H-indol-5-ol;2-(4-amino-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-3-yl)-7-fluoro-1H-indol-5-ol;3-(5-chloro-1H-indol-2-yl)-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-4-amine;3-(5-methoxy-1H-pyrrolo[3,2-b]pyridin-2-yl)-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-4-amine (CID 158174543) is 2-(4-amino-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-3-yl)-7-chloro-1H-indol-5-ol;2-(4-amino-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-3-yl)-7-fluoro-1H-indol-5-ol;3-(5-chloro-1H-indol-2-yl)-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-4-amine;3-(5-methoxy-1H-pyrrolo[3,2-b]pyridin-2-yl)-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-4-amine.

What is the SMILES notation for 2-(4-amino-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-3-yl)-7-chloro-1H-indol-5-ol;2-(4-amino-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-3-yl)-7-fluoro-1H-indol-5-ol;3-(5-chloro-1H-indol-2-yl)-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-4-amine;3-(5-methoxy-1H-pyrrolo[3,2-b]pyridin-2-yl)-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-4-amine?

The canonical SMILES for 2-(4-amino-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-3-yl)-7-chloro-1H-indol-5-ol;2-(4-amino-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-3-yl)-7-fluoro-1H-indol-5-ol;3-(5-chloro-1H-indol-2-yl)-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-4-amine;3-(5-methoxy-1H-pyrrolo[3,2-b]pyridin-2-yl)-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-4-amine is CC(C)n1nc(-c2cc3cc(Cl)ccc3[nH]2)c2c(N)ncnc21.CC(C)n1nc(-c2cc3cc(O)cc(Cl)c3[nH]2)c2c(N)ncnc21.CC(C)n1nc(-c2cc3cc(O)cc(F)c3[nH]2)c2c(N)ncnc21.COc1ccc2[nH]c(-c3nn(C(C)C)c4ncnc(N)c34)cc2n1.

What is the InChIKey of 2-(4-amino-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-3-yl)-7-chloro-1H-indol-5-ol;2-(4-amino-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-3-yl)-7-fluoro-1H-indol-5-ol;3-(5-chloro-1H-indol-2-yl)-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-4-amine;3-(5-methoxy-1H-pyrrolo[3,2-b]pyridin-2-yl)-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-4-amine?

The InChIKey is FXVSTERQGNMATP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15ClN6O.C16H15ClN6.C16H15FN6O.C16H17N7O/c1-7(2)23-16-12(15(18)19-6-20-16)14(22-23)11-4-8-3-9(24)5-10(17)13(8)21-11;1-8(2)23-16-13(15(18)19-7-20-16)14(22-23)12-6-9-5-10(17)3-4-11(9)21-12;1-7(2)23-16-12(15(18)19-6-20-16)14(22-23)11-4-8-3-9(24)5-10(17)13(8)21-11;1-8(2)23-16-13(15(17)18-7-19-16)14(22-23)11-6-10-9(20-11)4-5-12(21-10)24-3/h3-7,21,24H,1-2H3,(H2,18,19,20);3-8,21H,1-2H3,(H2,18,19,20);3-7,21,24H,1-2H3,(H2,18,19,20);4-8,20H,1-3H3,(H2,17,18,19).

What are the key properties of 2-(4-amino-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-3-yl)-7-chloro-1H-indol-5-ol;2-(4-amino-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-3-yl)-7-fluoro-1H-indol-5-ol;3-(5-chloro-1H-indol-2-yl)-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-4-amine;3-(5-methoxy-1H-pyrrolo[3,2-b]pyridin-2-yl)-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-4-amine?

2-(4-amino-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-3-yl)-7-chloro-1H-indol-5-ol;2-(4-amino-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-3-yl)-7-fluoro-1H-indol-5-ol;3-(5-chloro-1H-indol-2-yl)-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-4-amine;3-(5-methoxy-1H-pyrrolo[3,2-b]pyridin-2-yl)-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-4-amine has a molecular weight of 1319.28 g/mol, XLogP of 12.81, 9 rotatable bonds, 10 hydrogen bond donors, and 24 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(4-amino-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-3-yl)-7-chloro-1H-indol-5-ol;2-(4-amino-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-3-yl)-7-fluoro-1H-indol-5-ol;3-(5-chloro-1H-indol-2-yl)-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-4-amine;3-(5-methoxy-1H-pyrrolo[3,2-b]pyridin-2-yl)-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-4-amine is sourced from PubChem (CID 158174543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).