2-[4-amino-1-(3-hydroxycyclobutyl)pyrazolo[3,4-d]pyrimidin-3-yl]-1H-indol-5-ol;2-[4-amino-1-(1-propan-2-ylpiperidin-4-yl)pyrazolo[3,4-d]pyrimidin-3-yl]-7-chloro-1H-indol-5-ol;2-[4-amino-1-(1-propan-2-ylpiperidin-4-yl)pyrazolo[3,4-d]pyrimidin-3-yl]-1H-indol-5-ol

C59H65ClN20O4 — CID 158861330

About 2-[4-amino-1-(3-hydroxycyclobutyl)pyrazolo[3,4-d]pyrimidin-3-yl]-1H-indol-5-ol;2-[4-amino-1-(1-propan-2-ylpiperidin-4-yl)pyrazolo[3,4-d]pyrimidin-3-yl]-7-chloro-1H-indol-5-ol;2-[4-amino-1-(1-propan-2-ylpiperidin-4-yl)pyrazolo[3,4-d]pyrimidin-3-yl]-1H-indol-5-ol

2-[4-amino-1-(3-hydroxycyclobutyl)pyrazolo[3,4-d]pyrimidin-3-yl]-1H-indol-5-ol;2-[4-amino-1-(1-propan-2-ylpiperidin-4-yl)pyrazolo[3,4-d]pyrimidin-3-yl]-7-chloro-1H-indol-5-ol;2-[4-amino-1-(1-propan-2-ylpiperidin-4-yl)pyrazolo[3,4-d]pyrimidin-3-yl]-1H-indol-5-ol (PubChem CID 158861330) has the molecular formula C59H65ClN20O4 and a molecular weight of 1153.76 g/mol. Its IUPAC name is 2-[4-amino-1-(3-hydroxycyclobutyl)pyrazolo[3,4-d]pyrimidin-3-yl]-1H-indol-5-ol;2-[4-amino-1-(1-propan-2-ylpiperidin-4-yl)pyrazolo[3,4-d]pyrimidin-3-yl]-7-chloro-1H-indol-5-ol;2-[4-amino-1-(1-propan-2-ylpiperidin-4-yl)pyrazolo[3,4-d]pyrimidin-3-yl]-1H-indol-5-ol.

Molecular Properties

• Compound Name: 2-[4-amino-1-(3-hydroxycyclobutyl)pyrazolo[3,4-d]pyrimidin-3-yl]-1H-indol-5-ol;2-[4-amino-1-(1-propan-2-ylpiperidin-4-yl)pyrazolo[3,4-d]pyrimidin-3-yl]-7-chloro-1H-indol-5-ol;2-[4-amino-1-(1-propan-2-ylpiperidin-4-yl)pyrazolo[3,4-d]pyrimidin-3-yl]-1H-indol-5-ol
• PubChem CID: 158861330
• Molecular Formula: C59H65ClN20O4
• Molecular Weight: 1153.76 g/mol
• Exact Mass: 1152.52
• IUPAC Name: 2-[4-amino-1-(3-hydroxycyclobutyl)pyrazolo[3,4-d]pyrimidin-3-yl]-1H-indol-5-ol;2-[4-amino-1-(1-propan-2-ylpiperidin-4-yl)pyrazolo[3,4-d]pyrimidin-3-yl]-7-chloro-1H-indol-5-ol;2-[4-amino-1-(1-propan-2-ylpiperidin-4-yl)pyrazolo[3,4-d]pyrimidin-3-yl]-1H-indol-5-ol
• SMILES: CC(C)N1CCC(n2nc(-c3cc4cc(O)cc(Cl)c4[nH]3)c3c(N)ncnc32)CC1.CC(C)N1CCC(n2nc(-c3cc4cc(O)ccc4[nH]3)c3c(N)ncnc32)CC1.Nc1ncnc2c1c(-c1cc3cc(O)ccc3[nH]1)nn2C1CC(O)C1
• InChI: InChI=1S/C21H24ClN7O.C21H25N7O.C17H16N6O2/c1-11(2)28-5-3-13(4-6-28)29-21-17(20(23)24-10-25-21)19(27-29)16-8-12-7-14(30)9-15(22)18(12)26-16;1-12(2)27-7-5-14(6-8-27)28-21-18(20(22)23-11-24-21)19(26-28)17-10-13-9-15(29)3-4-16(13)25-17;18-16-14-15(13-4-8-3-10(24)1-2-12(8)21-13)22-23(9-5-11(25)6-9)17(14)20-7-19-16/h7-11,13,26,30H,3-6H2,1-2H3,(H2,23,24,25);3-4,9-12,14,25,29H,5-8H2,1-2H3,(H2,22,23,24);1-4,7,9,11,21,24-25H,5-6H2,(H2,18,19,20)
• InChIKey: JARRSNIQZGXWAD-UHFFFAOYSA-N
• XLogP: 9.23
• TPSA: 343.63 Ų
• H-Bond Donors: 10
• H-Bond Acceptors: 21
• Rotatable Bonds: 8
• Heavy Atoms: 84
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1153.76
LogP ≤ 5	9.23
H-Bond Donors ≤ 5	10
H-Bond Acceptors ≤ 10	21

Frequently Asked Questions

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

The IUPAC name of 2-[4-amino-1-(3-hydroxycyclobutyl)pyrazolo[3,4-d]pyrimidin-3-yl]-1H-indol-5-ol;2-[4-amino-1-(1-propan-2-ylpiperidin-4-yl)pyrazolo[3,4-d]pyrimidin-3-yl]-7-chloro-1H-indol-5-ol;2-[4-amino-1-(1-propan-2-ylpiperidin-4-yl)pyrazolo[3,4-d]pyrimidin-3-yl]-1H-indol-5-ol (CID 158861330) is 2-[4-amino-1-(3-hydroxycyclobutyl)pyrazolo[3,4-d]pyrimidin-3-yl]-1H-indol-5-ol;2-[4-amino-1-(1-propan-2-ylpiperidin-4-yl)pyrazolo[3,4-d]pyrimidin-3-yl]-7-chloro-1H-indol-5-ol;2-[4-amino-1-(1-propan-2-ylpiperidin-4-yl)pyrazolo[3,4-d]pyrimidin-3-yl]-1H-indol-5-ol.

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

The canonical SMILES for 2-[4-amino-1-(3-hydroxycyclobutyl)pyrazolo[3,4-d]pyrimidin-3-yl]-1H-indol-5-ol;2-[4-amino-1-(1-propan-2-ylpiperidin-4-yl)pyrazolo[3,4-d]pyrimidin-3-yl]-7-chloro-1H-indol-5-ol;2-[4-amino-1-(1-propan-2-ylpiperidin-4-yl)pyrazolo[3,4-d]pyrimidin-3-yl]-1H-indol-5-ol is CC(C)N1CCC(n2nc(-c3cc4cc(O)cc(Cl)c4[nH]3)c3c(N)ncnc32)CC1.CC(C)N1CCC(n2nc(-c3cc4cc(O)ccc4[nH]3)c3c(N)ncnc32)CC1.Nc1ncnc2c1c(-c1cc3cc(O)ccc3[nH]1)nn2C1CC(O)C1.

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

The InChIKey is JARRSNIQZGXWAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24ClN7O.C21H25N7O.C17H16N6O2/c1-11(2)28-5-3-13(4-6-28)29-21-17(20(23)24-10-25-21)19(27-29)16-8-12-7-14(30)9-15(22)18(12)26-16;1-12(2)27-7-5-14(6-8-27)28-21-18(20(22)23-11-24-21)19(26-28)17-10-13-9-15(29)3-4-16(13)25-17;18-16-14-15(13-4-8-3-10(24)1-2-12(8)21-13)22-23(9-5-11(25)6-9)17(14)20-7-19-16/h7-11,13,26,30H,3-6H2,1-2H3,(H2,23,24,25);3-4,9-12,14,25,29H,5-8H2,1-2H3,(H2,22,23,24);1-4,7,9,11,21,24-25H,5-6H2,(H2,18,19,20).

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

2-[4-amino-1-(3-hydroxycyclobutyl)pyrazolo[3,4-d]pyrimidin-3-yl]-1H-indol-5-ol;2-[4-amino-1-(1-propan-2-ylpiperidin-4-yl)pyrazolo[3,4-d]pyrimidin-3-yl]-7-chloro-1H-indol-5-ol;2-[4-amino-1-(1-propan-2-ylpiperidin-4-yl)pyrazolo[3,4-d]pyrimidin-3-yl]-1H-indol-5-ol has a molecular weight of 1153.76 g/mol, XLogP of 9.23, 8 rotatable bonds, 10 hydrogen bond donors, and 21 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[4-amino-1-(3-hydroxycyclobutyl)pyrazolo[3,4-d]pyrimidin-3-yl]-1H-indol-5-ol;2-[4-amino-1-(1-propan-2-ylpiperidin-4-yl)pyrazolo[3,4-d]pyrimidin-3-yl]-7-chloro-1H-indol-5-ol;2-[4-amino-1-(1-propan-2-ylpiperidin-4-yl)pyrazolo[3,4-d]pyrimidin-3-yl]-1H-indol-5-ol is sourced from PubChem (CID 158861330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).