2-(4-amino-1-cyclobutylpyrazolo[3,4-d]pyrimidin-3-yl)-1H-indol-5-ol;1-[4-[4-amino-3-(5-hydroxy-1H-indol-2-yl)pyrazolo[3,4-d]pyrimidin-1-yl]piperidin-1-yl]ethanone;3-(6-chloro-5-methoxy-1H-indol-2-yl)-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-4-amine;ethyl 2-[4-amino-3-(5-hydroxy-1H-indol-2-yl)pyrazolo[3,4-d]pyrimidin-1-yl]acetate

C71H70ClN25O7 — CID 158474462

About 2-(4-amino-1-cyclobutylpyrazolo[3,4-d]pyrimidin-3-yl)-1H-indol-5-ol;1-[4-[4-amino-3-(5-hydroxy-1H-indol-2-yl)pyrazolo[3,4-d]pyrimidin-1-yl]piperidin-1-yl]ethanone;3-(6-chloro-5-methoxy-1H-indol-2-yl)-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-4-amine;ethyl 2-[4-amino-3-(5-hydroxy-1H-indol-2-yl)pyrazolo[3,4-d]pyrimidin-1-yl]acetate

2-(4-amino-1-cyclobutylpyrazolo[3,4-d]pyrimidin-3-yl)-1H-indol-5-ol;1-[4-[4-amino-3-(5-hydroxy-1H-indol-2-yl)pyrazolo[3,4-d]pyrimidin-1-yl]piperidin-1-yl]ethanone;3-(6-chloro-5-methoxy-1H-indol-2-yl)-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-4-amine;ethyl 2-[4-amino-3-(5-hydroxy-1H-indol-2-yl)pyrazolo[3,4-d]pyrimidin-1-yl]acetate (PubChem CID 158474462) has the molecular formula C71H70ClN25O7 and a molecular weight of 1420.96 g/mol. Its IUPAC name is 2-(4-amino-1-cyclobutylpyrazolo[3,4-d]pyrimidin-3-yl)-1H-indol-5-ol;1-[4-[4-amino-3-(5-hydroxy-1H-indol-2-yl)pyrazolo[3,4-d]pyrimidin-1-yl]piperidin-1-yl]ethanone;3-(6-chloro-5-methoxy-1H-indol-2-yl)-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-4-amine;ethyl 2-[4-amino-3-(5-hydroxy-1H-indol-2-yl)pyrazolo[3,4-d]pyrimidin-1-yl]acetate.

Molecular Properties

• Compound Name: 2-(4-amino-1-cyclobutylpyrazolo[3,4-d]pyrimidin-3-yl)-1H-indol-5-ol;1-[4-[4-amino-3-(5-hydroxy-1H-indol-2-yl)pyrazolo[3,4-d]pyrimidin-1-yl]piperidin-1-yl]ethanone;3-(6-chloro-5-methoxy-1H-indol-2-yl)-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-4-amine;ethyl 2-[4-amino-3-(5-hydroxy-1H-indol-2-yl)pyrazolo[3,4-d]pyrimidin-1-yl]acetate
• PubChem CID: 158474462
• Molecular Formula: C71H70ClN25O7
• Molecular Weight: 1420.96 g/mol
• Exact Mass: 1419.56
• IUPAC Name: 2-(4-amino-1-cyclobutylpyrazolo[3,4-d]pyrimidin-3-yl)-1H-indol-5-ol;1-[4-[4-amino-3-(5-hydroxy-1H-indol-2-yl)pyrazolo[3,4-d]pyrimidin-1-yl]piperidin-1-yl]ethanone;3-(6-chloro-5-methoxy-1H-indol-2-yl)-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-4-amine;ethyl 2-[4-amino-3-(5-hydroxy-1H-indol-2-yl)pyrazolo[3,4-d]pyrimidin-1-yl]acetate
• SMILES: CC(=O)N1CCC(n2nc(-c3cc4cc(O)ccc4[nH]3)c3c(N)ncnc32)CC1.CCOC(=O)Cn1nc(-c2cc3cc(O)ccc3[nH]2)c2c(N)ncnc21.COc1cc2cc(-c3nn(C(C)C)c4ncnc(N)c34)[nH]c2cc1Cl.Nc1ncnc2c1c(-c1cc3cc(O)ccc3[nH]1)nn2C1CCC1
• InChI: InChI=1S/C20H21N7O2.C17H17ClN6O.C17H16N6O3.C17H16N6O/c1-11(28)26-6-4-13(5-7-26)27-20-17(19(21)22-10-23-20)18(25-27)16-9-12-8-14(29)2-3-15(12)24-16;1-8(2)24-17-14(16(19)20-7-21-17)15(23-24)12-4-9-5-13(25-3)10(18)6-11(9)22-12;1-2-26-13(25)7-23-17-14(16(18)19-8-20-17)15(22-23)12-6-9-5-10(24)3-4-11(9)21-12;18-16-14-15(13-7-9-6-11(24)4-5-12(9)21-13)22-23(10-2-1-3-10)17(14)20-8-19-16/h2-3,8-10,13,24,29H,4-7H2,1H3,(H2,21,22,23);4-8,22H,1-3H3,(H2,19,20,21);3-6,8,21,24H,2,7H2,1H3,(H2,18,19,20);4-8,10,21,24H,1-3H2,(H2,18,19,20)
• InChIKey: HGTMCZJFNFGZOE-UHFFFAOYSA-N
• XLogP: 11.06
• TPSA: 458.17 Ų
• H-Bond Donors: 11
• H-Bond Acceptors: 27
• Rotatable Bonds: 11
• Heavy Atoms: 104
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1420.96
LogP ≤ 5	11.06
H-Bond Donors ≤ 5	11
H-Bond Acceptors ≤ 10	27

Frequently Asked Questions

What is the IUPAC name of 2-(4-amino-1-cyclobutylpyrazolo[3,4-d]pyrimidin-3-yl)-1H-indol-5-ol;1-[4-[4-amino-3-(5-hydroxy-1H-indol-2-yl)pyrazolo[3,4-d]pyrimidin-1-yl]piperidin-1-yl]ethanone;3-(6-chloro-5-methoxy-1H-indol-2-yl)-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-4-amine;ethyl 2-[4-amino-3-(5-hydroxy-1H-indol-2-yl)pyrazolo[3,4-d]pyrimidin-1-yl]acetate?

The IUPAC name of 2-(4-amino-1-cyclobutylpyrazolo[3,4-d]pyrimidin-3-yl)-1H-indol-5-ol;1-[4-[4-amino-3-(5-hydroxy-1H-indol-2-yl)pyrazolo[3,4-d]pyrimidin-1-yl]piperidin-1-yl]ethanone;3-(6-chloro-5-methoxy-1H-indol-2-yl)-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-4-amine;ethyl 2-[4-amino-3-(5-hydroxy-1H-indol-2-yl)pyrazolo[3,4-d]pyrimidin-1-yl]acetate (CID 158474462) is 2-(4-amino-1-cyclobutylpyrazolo[3,4-d]pyrimidin-3-yl)-1H-indol-5-ol;1-[4-[4-amino-3-(5-hydroxy-1H-indol-2-yl)pyrazolo[3,4-d]pyrimidin-1-yl]piperidin-1-yl]ethanone;3-(6-chloro-5-methoxy-1H-indol-2-yl)-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-4-amine;ethyl 2-[4-amino-3-(5-hydroxy-1H-indol-2-yl)pyrazolo[3,4-d]pyrimidin-1-yl]acetate.

What is the SMILES notation for 2-(4-amino-1-cyclobutylpyrazolo[3,4-d]pyrimidin-3-yl)-1H-indol-5-ol;1-[4-[4-amino-3-(5-hydroxy-1H-indol-2-yl)pyrazolo[3,4-d]pyrimidin-1-yl]piperidin-1-yl]ethanone;3-(6-chloro-5-methoxy-1H-indol-2-yl)-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-4-amine;ethyl 2-[4-amino-3-(5-hydroxy-1H-indol-2-yl)pyrazolo[3,4-d]pyrimidin-1-yl]acetate?

The canonical SMILES for 2-(4-amino-1-cyclobutylpyrazolo[3,4-d]pyrimidin-3-yl)-1H-indol-5-ol;1-[4-[4-amino-3-(5-hydroxy-1H-indol-2-yl)pyrazolo[3,4-d]pyrimidin-1-yl]piperidin-1-yl]ethanone;3-(6-chloro-5-methoxy-1H-indol-2-yl)-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-4-amine;ethyl 2-[4-amino-3-(5-hydroxy-1H-indol-2-yl)pyrazolo[3,4-d]pyrimidin-1-yl]acetate is CC(=O)N1CCC(n2nc(-c3cc4cc(O)ccc4[nH]3)c3c(N)ncnc32)CC1.CCOC(=O)Cn1nc(-c2cc3cc(O)ccc3[nH]2)c2c(N)ncnc21.COc1cc2cc(-c3nn(C(C)C)c4ncnc(N)c34)[nH]c2cc1Cl.Nc1ncnc2c1c(-c1cc3cc(O)ccc3[nH]1)nn2C1CCC1.

What is the InChIKey of 2-(4-amino-1-cyclobutylpyrazolo[3,4-d]pyrimidin-3-yl)-1H-indol-5-ol;1-[4-[4-amino-3-(5-hydroxy-1H-indol-2-yl)pyrazolo[3,4-d]pyrimidin-1-yl]piperidin-1-yl]ethanone;3-(6-chloro-5-methoxy-1H-indol-2-yl)-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-4-amine;ethyl 2-[4-amino-3-(5-hydroxy-1H-indol-2-yl)pyrazolo[3,4-d]pyrimidin-1-yl]acetate?

The InChIKey is HGTMCZJFNFGZOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N7O2.C17H17ClN6O.C17H16N6O3.C17H16N6O/c1-11(28)26-6-4-13(5-7-26)27-20-17(19(21)22-10-23-20)18(25-27)16-9-12-8-14(29)2-3-15(12)24-16;1-8(2)24-17-14(16(19)20-7-21-17)15(23-24)12-4-9-5-13(25-3)10(18)6-11(9)22-12;1-2-26-13(25)7-23-17-14(16(18)19-8-20-17)15(22-23)12-6-9-5-10(24)3-4-11(9)21-12;18-16-14-15(13-7-9-6-11(24)4-5-12(9)21-13)22-23(10-2-1-3-10)17(14)20-8-19-16/h2-3,8-10,13,24,29H,4-7H2,1H3,(H2,21,22,23);4-8,22H,1-3H3,(H2,19,20,21);3-6,8,21,24H,2,7H2,1H3,(H2,18,19,20);4-8,10,21,24H,1-3H2,(H2,18,19,20).

What are the key properties of 2-(4-amino-1-cyclobutylpyrazolo[3,4-d]pyrimidin-3-yl)-1H-indol-5-ol;1-[4-[4-amino-3-(5-hydroxy-1H-indol-2-yl)pyrazolo[3,4-d]pyrimidin-1-yl]piperidin-1-yl]ethanone;3-(6-chloro-5-methoxy-1H-indol-2-yl)-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-4-amine;ethyl 2-[4-amino-3-(5-hydroxy-1H-indol-2-yl)pyrazolo[3,4-d]pyrimidin-1-yl]acetate?

2-(4-amino-1-cyclobutylpyrazolo[3,4-d]pyrimidin-3-yl)-1H-indol-5-ol;1-[4-[4-amino-3-(5-hydroxy-1H-indol-2-yl)pyrazolo[3,4-d]pyrimidin-1-yl]piperidin-1-yl]ethanone;3-(6-chloro-5-methoxy-1H-indol-2-yl)-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-4-amine;ethyl 2-[4-amino-3-(5-hydroxy-1H-indol-2-yl)pyrazolo[3,4-d]pyrimidin-1-yl]acetate has a molecular weight of 1420.96 g/mol, XLogP of 11.06, 11 rotatable bonds, 11 hydrogen bond donors, and 27 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(4-amino-1-cyclobutylpyrazolo[3,4-d]pyrimidin-3-yl)-1H-indol-5-ol;1-[4-[4-amino-3-(5-hydroxy-1H-indol-2-yl)pyrazolo[3,4-d]pyrimidin-1-yl]piperidin-1-yl]ethanone;3-(6-chloro-5-methoxy-1H-indol-2-yl)-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-4-amine;ethyl 2-[4-amino-3-(5-hydroxy-1H-indol-2-yl)pyrazolo[3,4-d]pyrimidin-1-yl]acetate is sourced from PubChem (CID 158474462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).