2-(4-amino-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-3-yl)-4-chloro-1H-indol-5-ol;2-(4-amino-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-3-yl)-1H-indol-6-ol;3-(5-methoxy-1H-pyrrolo[2,3-b]pyridin-2-yl)-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-4-amine;1-propan-2-yl-3-(1H-pyrrolo[3,2-c]pyridin-2-yl)pyrazolo[3,4-d]pyrimidin-4-amine

C63H63ClN26O3 — CID 159022980

About 2-(4-amino-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-3-yl)-4-chloro-1H-indol-5-ol;2-(4-amino-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-3-yl)-1H-indol-6-ol;3-(5-methoxy-1H-pyrrolo[2,3-b]pyridin-2-yl)-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-4-amine;1-propan-2-yl-3-(1H-pyrrolo[3,2-c]pyridin-2-yl)pyrazolo[3,4-d]pyrimidin-4-amine

2-(4-amino-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-3-yl)-4-chloro-1H-indol-5-ol;2-(4-amino-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-3-yl)-1H-indol-6-ol;3-(5-methoxy-1H-pyrrolo[2,3-b]pyridin-2-yl)-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-4-amine;1-propan-2-yl-3-(1H-pyrrolo[3,2-c]pyridin-2-yl)pyrazolo[3,4-d]pyrimidin-4-amine (PubChem CID 159022980) has the molecular formula C63H63ClN26O3 and a molecular weight of 1267.83 g/mol. Its IUPAC name is 2-(4-amino-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-3-yl)-4-chloro-1H-indol-5-ol;2-(4-amino-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-3-yl)-1H-indol-6-ol;3-(5-methoxy-1H-pyrrolo[2,3-b]pyridin-2-yl)-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-4-amine;1-propan-2-yl-3-(1H-pyrrolo[3,2-c]pyridin-2-yl)pyrazolo[3,4-d]pyrimidin-4-amine.

Molecular Properties

• Compound Name: 2-(4-amino-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-3-yl)-4-chloro-1H-indol-5-ol;2-(4-amino-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-3-yl)-1H-indol-6-ol;3-(5-methoxy-1H-pyrrolo[2,3-b]pyridin-2-yl)-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-4-amine;1-propan-2-yl-3-(1H-pyrrolo[3,2-c]pyridin-2-yl)pyrazolo[3,4-d]pyrimidin-4-amine
• PubChem CID: 159022980
• Molecular Formula: C63H63ClN26O3
• Molecular Weight: 1267.83 g/mol
• Exact Mass: 1266.53
• IUPAC Name: 2-(4-amino-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-3-yl)-4-chloro-1H-indol-5-ol;2-(4-amino-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-3-yl)-1H-indol-6-ol;3-(5-methoxy-1H-pyrrolo[2,3-b]pyridin-2-yl)-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-4-amine;1-propan-2-yl-3-(1H-pyrrolo[3,2-c]pyridin-2-yl)pyrazolo[3,4-d]pyrimidin-4-amine
• SMILES: CC(C)n1nc(-c2cc3c(Cl)c(O)ccc3[nH]2)c2c(N)ncnc21.CC(C)n1nc(-c2cc3ccc(O)cc3[nH]2)c2c(N)ncnc21.CC(C)n1nc(-c2cc3cnccc3[nH]2)c2c(N)ncnc21.COc1cnc2[nH]c(-c3nn(C(C)C)c4ncnc(N)c34)cc2c1
• InChI: InChI=1S/C16H15ClN6O.C16H17N7O.C16H16N6O.C15H15N7/c1-7(2)23-16-12(15(18)19-6-20-16)14(22-23)10-5-8-9(21-10)3-4-11(24)13(8)17;1-8(2)23-16-12(14(17)19-7-20-16)13(22-23)11-5-9-4-10(24-3)6-18-15(9)21-11;1-8(2)22-16-13(15(17)18-7-19-16)14(21-22)12-5-9-3-4-10(23)6-11(9)20-12;1-8(2)22-15-12(14(16)18-7-19-15)13(21-22)11-5-9-6-17-4-3-10(9)20-11/h3-7,21,24H,1-2H3,(H2,18,19,20);4-8H,1-3H3,(H,18,21)(H2,17,19,20);3-8,20,23H,1-2H3,(H2,17,18,19);3-8,20H,1-2H3,(H2,16,18,19)
• InChIKey: JTXVGAXFLNZAKP-UHFFFAOYSA-N
• XLogP: 11.41
• TPSA: 417.11 Ų
• H-Bond Donors: 10
• H-Bond Acceptors: 25
• Rotatable Bonds: 9
• Heavy Atoms: 93
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1267.83
LogP ≤ 5	11.41
H-Bond Donors ≤ 5	10
H-Bond Acceptors ≤ 10	25

Frequently Asked Questions

What is the IUPAC name of 2-(4-amino-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-3-yl)-4-chloro-1H-indol-5-ol;2-(4-amino-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-3-yl)-1H-indol-6-ol;3-(5-methoxy-1H-pyrrolo[2,3-b]pyridin-2-yl)-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-4-amine;1-propan-2-yl-3-(1H-pyrrolo[3,2-c]pyridin-2-yl)pyrazolo[3,4-d]pyrimidin-4-amine?

The IUPAC name of 2-(4-amino-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-3-yl)-4-chloro-1H-indol-5-ol;2-(4-amino-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-3-yl)-1H-indol-6-ol;3-(5-methoxy-1H-pyrrolo[2,3-b]pyridin-2-yl)-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-4-amine;1-propan-2-yl-3-(1H-pyrrolo[3,2-c]pyridin-2-yl)pyrazolo[3,4-d]pyrimidin-4-amine (CID 159022980) is 2-(4-amino-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-3-yl)-4-chloro-1H-indol-5-ol;2-(4-amino-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-3-yl)-1H-indol-6-ol;3-(5-methoxy-1H-pyrrolo[2,3-b]pyridin-2-yl)-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-4-amine;1-propan-2-yl-3-(1H-pyrrolo[3,2-c]pyridin-2-yl)pyrazolo[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)-4-chloro-1H-indol-5-ol;2-(4-amino-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-3-yl)-1H-indol-6-ol;3-(5-methoxy-1H-pyrrolo[2,3-b]pyridin-2-yl)-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-4-amine;1-propan-2-yl-3-(1H-pyrrolo[3,2-c]pyridin-2-yl)pyrazolo[3,4-d]pyrimidin-4-amine?

The canonical SMILES for 2-(4-amino-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-3-yl)-4-chloro-1H-indol-5-ol;2-(4-amino-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-3-yl)-1H-indol-6-ol;3-(5-methoxy-1H-pyrrolo[2,3-b]pyridin-2-yl)-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-4-amine;1-propan-2-yl-3-(1H-pyrrolo[3,2-c]pyridin-2-yl)pyrazolo[3,4-d]pyrimidin-4-amine is CC(C)n1nc(-c2cc3c(Cl)c(O)ccc3[nH]2)c2c(N)ncnc21.CC(C)n1nc(-c2cc3ccc(O)cc3[nH]2)c2c(N)ncnc21.CC(C)n1nc(-c2cc3cnccc3[nH]2)c2c(N)ncnc21.COc1cnc2[nH]c(-c3nn(C(C)C)c4ncnc(N)c34)cc2c1.

What is the InChIKey of 2-(4-amino-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-3-yl)-4-chloro-1H-indol-5-ol;2-(4-amino-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-3-yl)-1H-indol-6-ol;3-(5-methoxy-1H-pyrrolo[2,3-b]pyridin-2-yl)-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-4-amine;1-propan-2-yl-3-(1H-pyrrolo[3,2-c]pyridin-2-yl)pyrazolo[3,4-d]pyrimidin-4-amine?

The InChIKey is JTXVGAXFLNZAKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15ClN6O.C16H17N7O.C16H16N6O.C15H15N7/c1-7(2)23-16-12(15(18)19-6-20-16)14(22-23)10-5-8-9(21-10)3-4-11(24)13(8)17;1-8(2)23-16-12(14(17)19-7-20-16)13(22-23)11-5-9-4-10(24-3)6-18-15(9)21-11;1-8(2)22-16-13(15(17)18-7-19-16)14(21-22)12-5-9-3-4-10(23)6-11(9)20-12;1-8(2)22-15-12(14(16)18-7-19-15)13(21-22)11-5-9-6-17-4-3-10(9)20-11/h3-7,21,24H,1-2H3,(H2,18,19,20);4-8H,1-3H3,(H,18,21)(H2,17,19,20);3-8,20,23H,1-2H3,(H2,17,18,19);3-8,20H,1-2H3,(H2,16,18,19).

What are the key properties of 2-(4-amino-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-3-yl)-4-chloro-1H-indol-5-ol;2-(4-amino-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-3-yl)-1H-indol-6-ol;3-(5-methoxy-1H-pyrrolo[2,3-b]pyridin-2-yl)-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-4-amine;1-propan-2-yl-3-(1H-pyrrolo[3,2-c]pyridin-2-yl)pyrazolo[3,4-d]pyrimidin-4-amine?

2-(4-amino-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-3-yl)-4-chloro-1H-indol-5-ol;2-(4-amino-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-3-yl)-1H-indol-6-ol;3-(5-methoxy-1H-pyrrolo[2,3-b]pyridin-2-yl)-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-4-amine;1-propan-2-yl-3-(1H-pyrrolo[3,2-c]pyridin-2-yl)pyrazolo[3,4-d]pyrimidin-4-amine has a molecular weight of 1267.83 g/mol, XLogP of 11.41, 9 rotatable bonds, 10 hydrogen bond donors, and 25 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)-4-chloro-1H-indol-5-ol;2-(4-amino-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-3-yl)-1H-indol-6-ol;3-(5-methoxy-1H-pyrrolo[2,3-b]pyridin-2-yl)-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-4-amine;1-propan-2-yl-3-(1H-pyrrolo[3,2-c]pyridin-2-yl)pyrazolo[3,4-d]pyrimidin-4-amine is sourced from PubChem (CID 159022980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).