2-[4-amino-1-(3-morpholin-4-ylcyclobutyl)pyrazolo[3,4-d]pyrimidin-3-yl]-1H-indol-5-ol;3-(4-chloro-1H-indol-2-yl)-1-(oxan-4-yl)pyrazolo[3,4-d]pyrimidin-4-amine;3-(7-chloro-1H-indol-2-yl)-1-(oxan-4-yl)pyrazolo[3,4-d]pyrimidin-4-amine;3-(7-chloro-1H-indol-2-yl)-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-4-amine

C73H72Cl3N25O4 — CID 158413197

About 2-[4-amino-1-(3-morpholin-4-ylcyclobutyl)pyrazolo[3,4-d]pyrimidin-3-yl]-1H-indol-5-ol;3-(4-chloro-1H-indol-2-yl)-1-(oxan-4-yl)pyrazolo[3,4-d]pyrimidin-4-amine;3-(7-chloro-1H-indol-2-yl)-1-(oxan-4-yl)pyrazolo[3,4-d]pyrimidin-4-amine;3-(7-chloro-1H-indol-2-yl)-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-4-amine

2-[4-amino-1-(3-morpholin-4-ylcyclobutyl)pyrazolo[3,4-d]pyrimidin-3-yl]-1H-indol-5-ol;3-(4-chloro-1H-indol-2-yl)-1-(oxan-4-yl)pyrazolo[3,4-d]pyrimidin-4-amine;3-(7-chloro-1H-indol-2-yl)-1-(oxan-4-yl)pyrazolo[3,4-d]pyrimidin-4-amine;3-(7-chloro-1H-indol-2-yl)-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-4-amine (PubChem CID 158413197) has the molecular formula C73H72Cl3N25O4 and a molecular weight of 1469.91 g/mol. Its IUPAC name is 2-[4-amino-1-(3-morpholin-4-ylcyclobutyl)pyrazolo[3,4-d]pyrimidin-3-yl]-1H-indol-5-ol;3-(4-chloro-1H-indol-2-yl)-1-(oxan-4-yl)pyrazolo[3,4-d]pyrimidin-4-amine;3-(7-chloro-1H-indol-2-yl)-1-(oxan-4-yl)pyrazolo[3,4-d]pyrimidin-4-amine;3-(7-chloro-1H-indol-2-yl)-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-4-amine.

Molecular Properties

• Compound Name: 2-[4-amino-1-(3-morpholin-4-ylcyclobutyl)pyrazolo[3,4-d]pyrimidin-3-yl]-1H-indol-5-ol;3-(4-chloro-1H-indol-2-yl)-1-(oxan-4-yl)pyrazolo[3,4-d]pyrimidin-4-amine;3-(7-chloro-1H-indol-2-yl)-1-(oxan-4-yl)pyrazolo[3,4-d]pyrimidin-4-amine;3-(7-chloro-1H-indol-2-yl)-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-4-amine
• PubChem CID: 158413197
• Molecular Formula: C73H72Cl3N25O4
• Molecular Weight: 1469.91 g/mol
• Exact Mass: 1467.53
• IUPAC Name: 2-[4-amino-1-(3-morpholin-4-ylcyclobutyl)pyrazolo[3,4-d]pyrimidin-3-yl]-1H-indol-5-ol;3-(4-chloro-1H-indol-2-yl)-1-(oxan-4-yl)pyrazolo[3,4-d]pyrimidin-4-amine;3-(7-chloro-1H-indol-2-yl)-1-(oxan-4-yl)pyrazolo[3,4-d]pyrimidin-4-amine;3-(7-chloro-1H-indol-2-yl)-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-4-amine
• SMILES: CC(C)n1nc(-c2cc3cccc(Cl)c3[nH]2)c2c(N)ncnc21.Nc1ncnc2c1c(-c1cc3c(Cl)cccc3[nH]1)nn2C1CCOCC1.Nc1ncnc2c1c(-c1cc3cc(O)ccc3[nH]1)nn2C1CC(N2CCOCC2)C1.Nc1ncnc2c1c(-c1cc3cccc(Cl)c3[nH]1)nn2C1CCOCC1
• InChI: InChI=1S/C21H23N7O2.2C18H17ClN6O.C16H15ClN6/c22-20-18-19(17-8-12-7-15(29)1-2-16(12)25-17)26-28(21(18)24-11-23-20)14-9-13(10-14)27-3-5-30-6-4-27;19-12-2-1-3-13-11(12)8-14(23-13)16-15-17(20)21-9-22-18(15)25(24-16)10-4-6-26-7-5-10;19-12-3-1-2-10-8-13(23-15(10)12)16-14-17(20)21-9-22-18(14)25(24-16)11-4-6-26-7-5-11;1-8(2)23-16-12(15(18)19-7-20-16)14(22-23)11-6-9-4-3-5-10(17)13(9)21-11/h1-2,7-8,11,13-14,25,29H,3-6,9-10H2,(H2,22,23,24);1-3,8-10,23H,4-7H2,(H2,20,21,22);1-3,8-9,11,23H,4-7H2,(H2,20,21,22);3-8,21H,1-2H3,(H2,18,19,20)
• InChIKey: GZOIDSOITLKKNH-UHFFFAOYSA-N
• XLogP: 13.21
• TPSA: 392.80 Ų
• H-Bond Donors: 9
• H-Bond Acceptors: 25
• Rotatable Bonds: 9
• Heavy Atoms: 105
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1469.91
LogP ≤ 5	13.21
H-Bond Donors ≤ 5	9
H-Bond Acceptors ≤ 10	25

Frequently Asked Questions

What is the IUPAC name of 2-[4-amino-1-(3-morpholin-4-ylcyclobutyl)pyrazolo[3,4-d]pyrimidin-3-yl]-1H-indol-5-ol;3-(4-chloro-1H-indol-2-yl)-1-(oxan-4-yl)pyrazolo[3,4-d]pyrimidin-4-amine;3-(7-chloro-1H-indol-2-yl)-1-(oxan-4-yl)pyrazolo[3,4-d]pyrimidin-4-amine;3-(7-chloro-1H-indol-2-yl)-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-4-amine?

The IUPAC name of 2-[4-amino-1-(3-morpholin-4-ylcyclobutyl)pyrazolo[3,4-d]pyrimidin-3-yl]-1H-indol-5-ol;3-(4-chloro-1H-indol-2-yl)-1-(oxan-4-yl)pyrazolo[3,4-d]pyrimidin-4-amine;3-(7-chloro-1H-indol-2-yl)-1-(oxan-4-yl)pyrazolo[3,4-d]pyrimidin-4-amine;3-(7-chloro-1H-indol-2-yl)-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-4-amine (CID 158413197) is 2-[4-amino-1-(3-morpholin-4-ylcyclobutyl)pyrazolo[3,4-d]pyrimidin-3-yl]-1H-indol-5-ol;3-(4-chloro-1H-indol-2-yl)-1-(oxan-4-yl)pyrazolo[3,4-d]pyrimidin-4-amine;3-(7-chloro-1H-indol-2-yl)-1-(oxan-4-yl)pyrazolo[3,4-d]pyrimidin-4-amine;3-(7-chloro-1H-indol-2-yl)-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-4-amine.

What is the SMILES notation for 2-[4-amino-1-(3-morpholin-4-ylcyclobutyl)pyrazolo[3,4-d]pyrimidin-3-yl]-1H-indol-5-ol;3-(4-chloro-1H-indol-2-yl)-1-(oxan-4-yl)pyrazolo[3,4-d]pyrimidin-4-amine;3-(7-chloro-1H-indol-2-yl)-1-(oxan-4-yl)pyrazolo[3,4-d]pyrimidin-4-amine;3-(7-chloro-1H-indol-2-yl)-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-4-amine?

The canonical SMILES for 2-[4-amino-1-(3-morpholin-4-ylcyclobutyl)pyrazolo[3,4-d]pyrimidin-3-yl]-1H-indol-5-ol;3-(4-chloro-1H-indol-2-yl)-1-(oxan-4-yl)pyrazolo[3,4-d]pyrimidin-4-amine;3-(7-chloro-1H-indol-2-yl)-1-(oxan-4-yl)pyrazolo[3,4-d]pyrimidin-4-amine;3-(7-chloro-1H-indol-2-yl)-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-4-amine is CC(C)n1nc(-c2cc3cccc(Cl)c3[nH]2)c2c(N)ncnc21.Nc1ncnc2c1c(-c1cc3c(Cl)cccc3[nH]1)nn2C1CCOCC1.Nc1ncnc2c1c(-c1cc3cc(O)ccc3[nH]1)nn2C1CC(N2CCOCC2)C1.Nc1ncnc2c1c(-c1cc3cccc(Cl)c3[nH]1)nn2C1CCOCC1.

What is the InChIKey of 2-[4-amino-1-(3-morpholin-4-ylcyclobutyl)pyrazolo[3,4-d]pyrimidin-3-yl]-1H-indol-5-ol;3-(4-chloro-1H-indol-2-yl)-1-(oxan-4-yl)pyrazolo[3,4-d]pyrimidin-4-amine;3-(7-chloro-1H-indol-2-yl)-1-(oxan-4-yl)pyrazolo[3,4-d]pyrimidin-4-amine;3-(7-chloro-1H-indol-2-yl)-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-4-amine?

The InChIKey is GZOIDSOITLKKNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N7O2.2C18H17ClN6O.C16H15ClN6/c22-20-18-19(17-8-12-7-15(29)1-2-16(12)25-17)26-28(21(18)24-11-23-20)14-9-13(10-14)27-3-5-30-6-4-27;19-12-2-1-3-13-11(12)8-14(23-13)16-15-17(20)21-9-22-18(15)25(24-16)10-4-6-26-7-5-10;19-12-3-1-2-10-8-13(23-15(10)12)16-14-17(20)21-9-22-18(14)25(24-16)11-4-6-26-7-5-11;1-8(2)23-16-12(15(18)19-7-20-16)14(22-23)11-6-9-4-3-5-10(17)13(9)21-11/h1-2,7-8,11,13-14,25,29H,3-6,9-10H2,(H2,22,23,24);1-3,8-10,23H,4-7H2,(H2,20,21,22);1-3,8-9,11,23H,4-7H2,(H2,20,21,22);3-8,21H,1-2H3,(H2,18,19,20).

What are the key properties of 2-[4-amino-1-(3-morpholin-4-ylcyclobutyl)pyrazolo[3,4-d]pyrimidin-3-yl]-1H-indol-5-ol;3-(4-chloro-1H-indol-2-yl)-1-(oxan-4-yl)pyrazolo[3,4-d]pyrimidin-4-amine;3-(7-chloro-1H-indol-2-yl)-1-(oxan-4-yl)pyrazolo[3,4-d]pyrimidin-4-amine;3-(7-chloro-1H-indol-2-yl)-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-4-amine?

2-[4-amino-1-(3-morpholin-4-ylcyclobutyl)pyrazolo[3,4-d]pyrimidin-3-yl]-1H-indol-5-ol;3-(4-chloro-1H-indol-2-yl)-1-(oxan-4-yl)pyrazolo[3,4-d]pyrimidin-4-amine;3-(7-chloro-1H-indol-2-yl)-1-(oxan-4-yl)pyrazolo[3,4-d]pyrimidin-4-amine;3-(7-chloro-1H-indol-2-yl)-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-4-amine has a molecular weight of 1469.91 g/mol, XLogP of 13.21, 9 rotatable bonds, 9 hydrogen bond donors, and 25 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[4-amino-1-(3-morpholin-4-ylcyclobutyl)pyrazolo[3,4-d]pyrimidin-3-yl]-1H-indol-5-ol;3-(4-chloro-1H-indol-2-yl)-1-(oxan-4-yl)pyrazolo[3,4-d]pyrimidin-4-amine;3-(7-chloro-1H-indol-2-yl)-1-(oxan-4-yl)pyrazolo[3,4-d]pyrimidin-4-amine;3-(7-chloro-1H-indol-2-yl)-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-4-amine is sourced from PubChem (CID 158413197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).