4-[3-propan-2-yl-5-[1-(1-propan-2-ylpiperidin-4-yl)piperidin-4-yl]-1H-indol-2-yl]-1H-pyrazolo[3,4-b]pyridine

C30H40N6 — CID 142594191

About 4-[3-propan-2-yl-5-[1-(1-propan-2-ylpiperidin-4-yl)piperidin-4-yl]-1H-indol-2-yl]-1H-pyrazolo[3,4-b]pyridine

4-[3-propan-2-yl-5-[1-(1-propan-2-ylpiperidin-4-yl)piperidin-4-yl]-1H-indol-2-yl]-1H-pyrazolo[3,4-b]pyridine (PubChem CID 142594191) has the molecular formula C30H40N6 and a molecular weight of 484.69 g/mol. Its IUPAC name is 4-[3-propan-2-yl-5-[1-(1-propan-2-ylpiperidin-4-yl)piperidin-4-yl]-1H-indol-2-yl]-1H-pyrazolo[3,4-b]pyridine.

Molecular Properties

• Compound Name: 4-[3-propan-2-yl-5-[1-(1-propan-2-ylpiperidin-4-yl)piperidin-4-yl]-1H-indol-2-yl]-1H-pyrazolo[3,4-b]pyridine
• PubChem CID: 142594191
• Molecular Formula: C30H40N6
• Molecular Weight: 484.69 g/mol
• Exact Mass: 484.33
• IUPAC Name: 4-[3-propan-2-yl-5-[1-(1-propan-2-ylpiperidin-4-yl)piperidin-4-yl]-1H-indol-2-yl]-1H-pyrazolo[3,4-b]pyridine
• SMILES: CC(C)c1c(-c2ccnc3[nH]ncc23)[nH]c2ccc(C3CCN(C4CCN(C(C)C)CC4)CC3)cc12
• InChI: InChI=1S/C30H40N6/c1-19(2)28-25-17-22(21-8-13-36(14-9-21)23-10-15-35(16-11-23)20(3)4)5-6-27(25)33-29(28)24-7-12-31-30-26(24)18-32-34-30/h5-7,12,17-21,23,33H,8-11,13-16H2,1-4H3,(H,31,32,34)
• InChIKey: FJTIAMPCQMBOLU-UHFFFAOYSA-N
• XLogP: 6.28
• TPSA: 63.84 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 4
• Rotatable Bonds: 5
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	484.69
LogP ≤ 5	6.28
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 4-[3-propan-2-yl-5-[1-(1-propan-2-ylpiperidin-4-yl)piperidin-4-yl]-1H-indol-2-yl]-1H-pyrazolo[3,4-b]pyridine?

The IUPAC name of 4-[3-propan-2-yl-5-[1-(1-propan-2-ylpiperidin-4-yl)piperidin-4-yl]-1H-indol-2-yl]-1H-pyrazolo[3,4-b]pyridine (CID 142594191) is 4-[3-propan-2-yl-5-[1-(1-propan-2-ylpiperidin-4-yl)piperidin-4-yl]-1H-indol-2-yl]-1H-pyrazolo[3,4-b]pyridine.

What is the SMILES notation for 4-[3-propan-2-yl-5-[1-(1-propan-2-ylpiperidin-4-yl)piperidin-4-yl]-1H-indol-2-yl]-1H-pyrazolo[3,4-b]pyridine?

The canonical SMILES for 4-[3-propan-2-yl-5-[1-(1-propan-2-ylpiperidin-4-yl)piperidin-4-yl]-1H-indol-2-yl]-1H-pyrazolo[3,4-b]pyridine is CC(C)c1c(-c2ccnc3[nH]ncc23)[nH]c2ccc(C3CCN(C4CCN(C(C)C)CC4)CC3)cc12.

What is the InChIKey of 4-[3-propan-2-yl-5-[1-(1-propan-2-ylpiperidin-4-yl)piperidin-4-yl]-1H-indol-2-yl]-1H-pyrazolo[3,4-b]pyridine?

The InChIKey is FJTIAMPCQMBOLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H40N6/c1-19(2)28-25-17-22(21-8-13-36(14-9-21)23-10-15-35(16-11-23)20(3)4)5-6-27(25)33-29(28)24-7-12-31-30-26(24)18-32-34-30/h5-7,12,17-21,23,33H,8-11,13-16H2,1-4H3,(H,31,32,34).

What are the key properties of 4-[3-propan-2-yl-5-[1-(1-propan-2-ylpiperidin-4-yl)piperidin-4-yl]-1H-indol-2-yl]-1H-pyrazolo[3,4-b]pyridine?

4-[3-propan-2-yl-5-[1-(1-propan-2-ylpiperidin-4-yl)piperidin-4-yl]-1H-indol-2-yl]-1H-pyrazolo[3,4-b]pyridine has a molecular weight of 484.69 g/mol, XLogP of 6.28, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[3-propan-2-yl-5-[1-(1-propan-2-ylpiperidin-4-yl)piperidin-4-yl]-1H-indol-2-yl]-1H-pyrazolo[3,4-b]pyridine is sourced from PubChem (CID 142594191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).