2-[4-amino-1-(1-propan-2-ylpiperidin-4-yl)pyrazolo[3,4-d]pyrimidin-3-yl]-1H-indol-5-ol;tert-butyl 2-[4-amino-1-(1-propan-2-ylpiperidin-4-yl)pyrazolo[3,4-d]pyrimidin-3-yl]-5-methylindole-1-carboxylate

C48H60N14O3 — CID 158392915

About 2-[4-amino-1-(1-propan-2-ylpiperidin-4-yl)pyrazolo[3,4-d]pyrimidin-3-yl]-1H-indol-5-ol;tert-butyl 2-[4-amino-1-(1-propan-2-ylpiperidin-4-yl)pyrazolo[3,4-d]pyrimidin-3-yl]-5-methylindole-1-carboxylate

2-[4-amino-1-(1-propan-2-ylpiperidin-4-yl)pyrazolo[3,4-d]pyrimidin-3-yl]-1H-indol-5-ol;tert-butyl 2-[4-amino-1-(1-propan-2-ylpiperidin-4-yl)pyrazolo[3,4-d]pyrimidin-3-yl]-5-methylindole-1-carboxylate (PubChem CID 158392915) has the molecular formula C48H60N14O3 and a molecular weight of 881.10 g/mol. Its IUPAC name is 2-[4-amino-1-(1-propan-2-ylpiperidin-4-yl)pyrazolo[3,4-d]pyrimidin-3-yl]-1H-indol-5-ol;tert-butyl 2-[4-amino-1-(1-propan-2-ylpiperidin-4-yl)pyrazolo[3,4-d]pyrimidin-3-yl]-5-methylindole-1-carboxylate.

Molecular Properties

• Compound Name: 2-[4-amino-1-(1-propan-2-ylpiperidin-4-yl)pyrazolo[3,4-d]pyrimidin-3-yl]-1H-indol-5-ol;tert-butyl 2-[4-amino-1-(1-propan-2-ylpiperidin-4-yl)pyrazolo[3,4-d]pyrimidin-3-yl]-5-methylindole-1-carboxylate
• PubChem CID: 158392915
• Molecular Formula: C48H60N14O3
• Molecular Weight: 881.10 g/mol
• Exact Mass: 880.50
• IUPAC Name: 2-[4-amino-1-(1-propan-2-ylpiperidin-4-yl)pyrazolo[3,4-d]pyrimidin-3-yl]-1H-indol-5-ol;tert-butyl 2-[4-amino-1-(1-propan-2-ylpiperidin-4-yl)pyrazolo[3,4-d]pyrimidin-3-yl]-5-methylindole-1-carboxylate
• SMILES: CC(C)N1CCC(n2nc(-c3cc4cc(O)ccc4[nH]3)c3c(N)ncnc32)CC1.Cc1ccc2c(c1)cc(-c1nn(C3CCN(C(C)C)CC3)c3ncnc(N)c13)n2C(=O)OC(C)(C)C
• InChI: InChI=1S/C27H35N7O2.C21H25N7O/c1-16(2)32-11-9-19(10-12-32)34-25-22(24(28)29-15-30-25)23(31-34)21-14-18-13-17(3)7-8-20(18)33(21)26(35)36-27(4,5)6;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/h7-8,13-16,19H,9-12H2,1-6H3,(H2,28,29,30);3-4,9-12,14,25,29H,5-8H2,1-2H3,(H2,22,23,24)
• InChIKey: GXEOLYDPBWJQJD-UHFFFAOYSA-N
• XLogP: 8.47
• TPSA: 212.97 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 16
• Rotatable Bonds: 6
• Heavy Atoms: 65
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	881.10
LogP ≤ 5	8.47
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	16

Frequently Asked Questions

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

The IUPAC name of 2-[4-amino-1-(1-propan-2-ylpiperidin-4-yl)pyrazolo[3,4-d]pyrimidin-3-yl]-1H-indol-5-ol;tert-butyl 2-[4-amino-1-(1-propan-2-ylpiperidin-4-yl)pyrazolo[3,4-d]pyrimidin-3-yl]-5-methylindole-1-carboxylate (CID 158392915) is 2-[4-amino-1-(1-propan-2-ylpiperidin-4-yl)pyrazolo[3,4-d]pyrimidin-3-yl]-1H-indol-5-ol;tert-butyl 2-[4-amino-1-(1-propan-2-ylpiperidin-4-yl)pyrazolo[3,4-d]pyrimidin-3-yl]-5-methylindole-1-carboxylate.

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

The canonical SMILES for 2-[4-amino-1-(1-propan-2-ylpiperidin-4-yl)pyrazolo[3,4-d]pyrimidin-3-yl]-1H-indol-5-ol;tert-butyl 2-[4-amino-1-(1-propan-2-ylpiperidin-4-yl)pyrazolo[3,4-d]pyrimidin-3-yl]-5-methylindole-1-carboxylate is CC(C)N1CCC(n2nc(-c3cc4cc(O)ccc4[nH]3)c3c(N)ncnc32)CC1.Cc1ccc2c(c1)cc(-c1nn(C3CCN(C(C)C)CC3)c3ncnc(N)c13)n2C(=O)OC(C)(C)C.

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

The InChIKey is GXEOLYDPBWJQJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H35N7O2.C21H25N7O/c1-16(2)32-11-9-19(10-12-32)34-25-22(24(28)29-15-30-25)23(31-34)21-14-18-13-17(3)7-8-20(18)33(21)26(35)36-27(4,5)6;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/h7-8,13-16,19H,9-12H2,1-6H3,(H2,28,29,30);3-4,9-12,14,25,29H,5-8H2,1-2H3,(H2,22,23,24).

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

2-[4-amino-1-(1-propan-2-ylpiperidin-4-yl)pyrazolo[3,4-d]pyrimidin-3-yl]-1H-indol-5-ol;tert-butyl 2-[4-amino-1-(1-propan-2-ylpiperidin-4-yl)pyrazolo[3,4-d]pyrimidin-3-yl]-5-methylindole-1-carboxylate has a molecular weight of 881.10 g/mol, XLogP of 8.47, 6 rotatable bonds, 4 hydrogen bond donors, and 16 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[4-amino-1-(1-propan-2-ylpiperidin-4-yl)pyrazolo[3,4-d]pyrimidin-3-yl]-1H-indol-5-ol;tert-butyl 2-[4-amino-1-(1-propan-2-ylpiperidin-4-yl)pyrazolo[3,4-d]pyrimidin-3-yl]-5-methylindole-1-carboxylate is sourced from PubChem (CID 158392915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).