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

C28H35N5O — CID 151530371

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

4-[5-(4-piperidin-4-yloxycyclohexyl)-3-propan-2-yl-1H-indol-2-yl]-1H-pyrazolo[3,4-b]pyridine (PubChem CID 151530371) has the molecular formula C28H35N5O and a molecular weight of 457.62 g/mol. Its IUPAC name is 4-[5-(4-piperidin-4-yloxycyclohexyl)-3-propan-2-yl-1H-indol-2-yl]-1H-pyrazolo[3,4-b]pyridine.

Molecular Properties

• Compound Name: 4-[5-(4-piperidin-4-yloxycyclohexyl)-3-propan-2-yl-1H-indol-2-yl]-1H-pyrazolo[3,4-b]pyridine
• PubChem CID: 151530371
• Molecular Formula: C28H35N5O
• Molecular Weight: 457.62 g/mol
• Exact Mass: 457.28
• IUPAC Name: 4-[5-(4-piperidin-4-yloxycyclohexyl)-3-propan-2-yl-1H-indol-2-yl]-1H-pyrazolo[3,4-b]pyridine
• SMILES: CC(C)c1c(-c2ccnc3[nH]ncc23)[nH]c2ccc(C3CCC(OC4CCNCC4)CC3)cc12
• InChI: InChI=1S/C28H35N5O/c1-17(2)26-23-15-19(18-3-6-20(7-4-18)34-21-9-12-29-13-10-21)5-8-25(23)32-27(26)22-11-14-30-28-24(22)16-31-33-28/h5,8,11,14-18,20-21,29,32H,3-4,6-7,9-10,12-13H2,1-2H3,(H,30,31,33)
• InChIKey: PWIOUQALWAWEIL-UHFFFAOYSA-N
• XLogP: 6.02
• TPSA: 78.62 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 4
• Rotatable Bonds: 5
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	457.62
LogP ≤ 5	6.02
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

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

The IUPAC name of 4-[5-(4-piperidin-4-yloxycyclohexyl)-3-propan-2-yl-1H-indol-2-yl]-1H-pyrazolo[3,4-b]pyridine (CID 151530371) is 4-[5-(4-piperidin-4-yloxycyclohexyl)-3-propan-2-yl-1H-indol-2-yl]-1H-pyrazolo[3,4-b]pyridine.

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

The canonical SMILES for 4-[5-(4-piperidin-4-yloxycyclohexyl)-3-propan-2-yl-1H-indol-2-yl]-1H-pyrazolo[3,4-b]pyridine is CC(C)c1c(-c2ccnc3[nH]ncc23)[nH]c2ccc(C3CCC(OC4CCNCC4)CC3)cc12.

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

The InChIKey is PWIOUQALWAWEIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H35N5O/c1-17(2)26-23-15-19(18-3-6-20(7-4-18)34-21-9-12-29-13-10-21)5-8-25(23)32-27(26)22-11-14-30-28-24(22)16-31-33-28/h5,8,11,14-18,20-21,29,32H,3-4,6-7,9-10,12-13H2,1-2H3,(H,30,31,33).

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

4-[5-(4-piperidin-4-yloxycyclohexyl)-3-propan-2-yl-1H-indol-2-yl]-1H-pyrazolo[3,4-b]pyridine has a molecular weight of 457.62 g/mol, XLogP of 6.02, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[5-(4-piperidin-4-yloxycyclohexyl)-3-propan-2-yl-1H-indol-2-yl]-1H-pyrazolo[3,4-b]pyridine is sourced from PubChem (CID 151530371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).