[4-[4-amino-3-(5-hydroxy-1H-indol-2-yl)pyrazolo[3,4-d]pyrimidin-1-yl]piperidin-1-yl]-cyclopropylmethanone;2-[4-amino-1-(2-morpholin-4-ylethyl)pyrazolo[3,4-d]pyrimidin-3-yl]-1H-indol-5-ol;2-(4-amino-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-3-yl)-6-chloro-1H-indol-5-ol

C57H59ClN20O5 — CID 157166223

About [4-[4-amino-3-(5-hydroxy-1H-indol-2-yl)pyrazolo[3,4-d]pyrimidin-1-yl]piperidin-1-yl]-cyclopropylmethanone;2-[4-amino-1-(2-morpholin-4-ylethyl)pyrazolo[3,4-d]pyrimidin-3-yl]-1H-indol-5-ol;2-(4-amino-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-3-yl)-6-chloro-1H-indol-5-ol

[4-[4-amino-3-(5-hydroxy-1H-indol-2-yl)pyrazolo[3,4-d]pyrimidin-1-yl]piperidin-1-yl]-cyclopropylmethanone;2-[4-amino-1-(2-morpholin-4-ylethyl)pyrazolo[3,4-d]pyrimidin-3-yl]-1H-indol-5-ol;2-(4-amino-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-3-yl)-6-chloro-1H-indol-5-ol (PubChem CID 157166223) has the molecular formula C57H59ClN20O5 and a molecular weight of 1139.69 g/mol. Its IUPAC name is [4-[4-amino-3-(5-hydroxy-1H-indol-2-yl)pyrazolo[3,4-d]pyrimidin-1-yl]piperidin-1-yl]-cyclopropylmethanone;2-[4-amino-1-(2-morpholin-4-ylethyl)pyrazolo[3,4-d]pyrimidin-3-yl]-1H-indol-5-ol;2-(4-amino-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-3-yl)-6-chloro-1H-indol-5-ol.

Molecular Properties

• Compound Name: [4-[4-amino-3-(5-hydroxy-1H-indol-2-yl)pyrazolo[3,4-d]pyrimidin-1-yl]piperidin-1-yl]-cyclopropylmethanone;2-[4-amino-1-(2-morpholin-4-ylethyl)pyrazolo[3,4-d]pyrimidin-3-yl]-1H-indol-5-ol;2-(4-amino-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-3-yl)-6-chloro-1H-indol-5-ol
• PubChem CID: 157166223
• Molecular Formula: C57H59ClN20O5
• Molecular Weight: 1139.69 g/mol
• Exact Mass: 1138.47
• IUPAC Name: [4-[4-amino-3-(5-hydroxy-1H-indol-2-yl)pyrazolo[3,4-d]pyrimidin-1-yl]piperidin-1-yl]-cyclopropylmethanone;2-[4-amino-1-(2-morpholin-4-ylethyl)pyrazolo[3,4-d]pyrimidin-3-yl]-1H-indol-5-ol;2-(4-amino-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-3-yl)-6-chloro-1H-indol-5-ol
• SMILES: CC(C)n1nc(-c2cc3cc(O)c(Cl)cc3[nH]2)c2c(N)ncnc21.Nc1ncnc2c1c(-c1cc3cc(O)ccc3[nH]1)nn2C1CCN(C(=O)C2CC2)CC1.Nc1ncnc2c1c(-c1cc3cc(O)ccc3[nH]1)nn2CCN1CCOCC1
• InChI: InChI=1S/C22H23N7O2.C19H21N7O2.C16H15ClN6O/c23-20-18-19(17-10-13-9-15(30)3-4-16(13)26-17)27-29(21(18)25-11-24-20)14-5-7-28(8-6-14)22(31)12-1-2-12;20-18-16-17(15-10-12-9-13(27)1-2-14(12)23-15)24-26(19(16)22-11-21-18)4-3-25-5-7-28-8-6-25;1-7(2)23-16-13(15(18)19-6-20-16)14(22-23)11-3-8-4-12(24)9(17)5-10(8)21-11/h3-4,9-12,14,26,30H,1-2,5-8H2,(H2,23,24,25);1-2,9-11,23,27H,3-8H2,(H2,20,21,22);3-7,21,24H,1-2H3,(H2,18,19,20)
• InChIKey: AMYDRLVWHUDDFH-UHFFFAOYSA-N
• XLogP: 7.93
• TPSA: 349.70 Ų
• H-Bond Donors: 9
• H-Bond Acceptors: 21
• Rotatable Bonds: 9
• Heavy Atoms: 83
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1139.69
LogP ≤ 5	7.93
H-Bond Donors ≤ 5	9
H-Bond Acceptors ≤ 10	21

Frequently Asked Questions

What is the IUPAC name of [4-[4-amino-3-(5-hydroxy-1H-indol-2-yl)pyrazolo[3,4-d]pyrimidin-1-yl]piperidin-1-yl]-cyclopropylmethanone;2-[4-amino-1-(2-morpholin-4-ylethyl)pyrazolo[3,4-d]pyrimidin-3-yl]-1H-indol-5-ol;2-(4-amino-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-3-yl)-6-chloro-1H-indol-5-ol?

The IUPAC name of [4-[4-amino-3-(5-hydroxy-1H-indol-2-yl)pyrazolo[3,4-d]pyrimidin-1-yl]piperidin-1-yl]-cyclopropylmethanone;2-[4-amino-1-(2-morpholin-4-ylethyl)pyrazolo[3,4-d]pyrimidin-3-yl]-1H-indol-5-ol;2-(4-amino-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-3-yl)-6-chloro-1H-indol-5-ol (CID 157166223) is [4-[4-amino-3-(5-hydroxy-1H-indol-2-yl)pyrazolo[3,4-d]pyrimidin-1-yl]piperidin-1-yl]-cyclopropylmethanone;2-[4-amino-1-(2-morpholin-4-ylethyl)pyrazolo[3,4-d]pyrimidin-3-yl]-1H-indol-5-ol;2-(4-amino-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-3-yl)-6-chloro-1H-indol-5-ol.

What is the SMILES notation for [4-[4-amino-3-(5-hydroxy-1H-indol-2-yl)pyrazolo[3,4-d]pyrimidin-1-yl]piperidin-1-yl]-cyclopropylmethanone;2-[4-amino-1-(2-morpholin-4-ylethyl)pyrazolo[3,4-d]pyrimidin-3-yl]-1H-indol-5-ol;2-(4-amino-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-3-yl)-6-chloro-1H-indol-5-ol?

The canonical SMILES for [4-[4-amino-3-(5-hydroxy-1H-indol-2-yl)pyrazolo[3,4-d]pyrimidin-1-yl]piperidin-1-yl]-cyclopropylmethanone;2-[4-amino-1-(2-morpholin-4-ylethyl)pyrazolo[3,4-d]pyrimidin-3-yl]-1H-indol-5-ol;2-(4-amino-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-3-yl)-6-chloro-1H-indol-5-ol is CC(C)n1nc(-c2cc3cc(O)c(Cl)cc3[nH]2)c2c(N)ncnc21.Nc1ncnc2c1c(-c1cc3cc(O)ccc3[nH]1)nn2C1CCN(C(=O)C2CC2)CC1.Nc1ncnc2c1c(-c1cc3cc(O)ccc3[nH]1)nn2CCN1CCOCC1.

What is the InChIKey of [4-[4-amino-3-(5-hydroxy-1H-indol-2-yl)pyrazolo[3,4-d]pyrimidin-1-yl]piperidin-1-yl]-cyclopropylmethanone;2-[4-amino-1-(2-morpholin-4-ylethyl)pyrazolo[3,4-d]pyrimidin-3-yl]-1H-indol-5-ol;2-(4-amino-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-3-yl)-6-chloro-1H-indol-5-ol?

The InChIKey is AMYDRLVWHUDDFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N7O2.C19H21N7O2.C16H15ClN6O/c23-20-18-19(17-10-13-9-15(30)3-4-16(13)26-17)27-29(21(18)25-11-24-20)14-5-7-28(8-6-14)22(31)12-1-2-12;20-18-16-17(15-10-12-9-13(27)1-2-14(12)23-15)24-26(19(16)22-11-21-18)4-3-25-5-7-28-8-6-25;1-7(2)23-16-13(15(18)19-6-20-16)14(22-23)11-3-8-4-12(24)9(17)5-10(8)21-11/h3-4,9-12,14,26,30H,1-2,5-8H2,(H2,23,24,25);1-2,9-11,23,27H,3-8H2,(H2,20,21,22);3-7,21,24H,1-2H3,(H2,18,19,20).

What are the key properties of [4-[4-amino-3-(5-hydroxy-1H-indol-2-yl)pyrazolo[3,4-d]pyrimidin-1-yl]piperidin-1-yl]-cyclopropylmethanone;2-[4-amino-1-(2-morpholin-4-ylethyl)pyrazolo[3,4-d]pyrimidin-3-yl]-1H-indol-5-ol;2-(4-amino-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-3-yl)-6-chloro-1H-indol-5-ol?

[4-[4-amino-3-(5-hydroxy-1H-indol-2-yl)pyrazolo[3,4-d]pyrimidin-1-yl]piperidin-1-yl]-cyclopropylmethanone;2-[4-amino-1-(2-morpholin-4-ylethyl)pyrazolo[3,4-d]pyrimidin-3-yl]-1H-indol-5-ol;2-(4-amino-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-3-yl)-6-chloro-1H-indol-5-ol has a molecular weight of 1139.69 g/mol, XLogP of 7.93, 9 rotatable bonds, 9 hydrogen bond donors, and 21 hydrogen bond acceptors.

Where does this data come from?

All data for [4-[4-amino-3-(5-hydroxy-1H-indol-2-yl)pyrazolo[3,4-d]pyrimidin-1-yl]piperidin-1-yl]-cyclopropylmethanone;2-[4-amino-1-(2-morpholin-4-ylethyl)pyrazolo[3,4-d]pyrimidin-3-yl]-1H-indol-5-ol;2-(4-amino-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-3-yl)-6-chloro-1H-indol-5-ol is sourced from PubChem (CID 157166223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).