8-methoxy-6-[3-propan-2-yl-5-(1-propan-2-ylpiperidin-3-yl)-1H-indol-2-yl]-[1,2,4]triazolo[1,5-a]pyridine

C26H33N5O — CID 154639581

About 8-methoxy-6-[3-propan-2-yl-5-(1-propan-2-ylpiperidin-3-yl)-1H-indol-2-yl]-[1,2,4]triazolo[1,5-a]pyridine

8-methoxy-6-[3-propan-2-yl-5-(1-propan-2-ylpiperidin-3-yl)-1H-indol-2-yl]-[1,2,4]triazolo[1,5-a]pyridine (PubChem CID 154639581) has the molecular formula C26H33N5O and a molecular weight of 431.58 g/mol. Its IUPAC name is 8-methoxy-6-[3-propan-2-yl-5-(1-propan-2-ylpiperidin-3-yl)-1H-indol-2-yl]-[1,2,4]triazolo[1,5-a]pyridine.

Molecular Properties

• Compound Name: 8-methoxy-6-[3-propan-2-yl-5-(1-propan-2-ylpiperidin-3-yl)-1H-indol-2-yl]-[1,2,4]triazolo[1,5-a]pyridine
• PubChem CID: 154639581
• Molecular Formula: C26H33N5O
• Molecular Weight: 431.58 g/mol
• Exact Mass: 431.27
• IUPAC Name: 8-methoxy-6-[3-propan-2-yl-5-(1-propan-2-ylpiperidin-3-yl)-1H-indol-2-yl]-[1,2,4]triazolo[1,5-a]pyridine
• SMILES: COc1cc(-c2[nH]c3ccc(C4CCCN(C(C)C)C4)cc3c2C(C)C)cn2ncnc12
• InChI: InChI=1S/C26H33N5O/c1-16(2)24-21-11-18(19-7-6-10-30(13-19)17(3)4)8-9-22(21)29-25(24)20-12-23(32-5)26-27-15-28-31(26)14-20/h8-9,11-12,14-17,19,29H,6-7,10,13H2,1-5H3
• InChIKey: NPFYDNNXAYWGAG-UHFFFAOYSA-N
• XLogP: 5.60
• TPSA: 58.45 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	431.58
LogP ≤ 5	5.60
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 8-methoxy-6-[3-propan-2-yl-5-(1-propan-2-ylpiperidin-3-yl)-1H-indol-2-yl]-[1,2,4]triazolo[1,5-a]pyridine?

The IUPAC name of 8-methoxy-6-[3-propan-2-yl-5-(1-propan-2-ylpiperidin-3-yl)-1H-indol-2-yl]-[1,2,4]triazolo[1,5-a]pyridine (CID 154639581) is 8-methoxy-6-[3-propan-2-yl-5-(1-propan-2-ylpiperidin-3-yl)-1H-indol-2-yl]-[1,2,4]triazolo[1,5-a]pyridine.

What is the SMILES notation for 8-methoxy-6-[3-propan-2-yl-5-(1-propan-2-ylpiperidin-3-yl)-1H-indol-2-yl]-[1,2,4]triazolo[1,5-a]pyridine?

The canonical SMILES for 8-methoxy-6-[3-propan-2-yl-5-(1-propan-2-ylpiperidin-3-yl)-1H-indol-2-yl]-[1,2,4]triazolo[1,5-a]pyridine is COc1cc(-c2[nH]c3ccc(C4CCCN(C(C)C)C4)cc3c2C(C)C)cn2ncnc12.

What is the InChIKey of 8-methoxy-6-[3-propan-2-yl-5-(1-propan-2-ylpiperidin-3-yl)-1H-indol-2-yl]-[1,2,4]triazolo[1,5-a]pyridine?

The InChIKey is NPFYDNNXAYWGAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H33N5O/c1-16(2)24-21-11-18(19-7-6-10-30(13-19)17(3)4)8-9-22(21)29-25(24)20-12-23(32-5)26-27-15-28-31(26)14-20/h8-9,11-12,14-17,19,29H,6-7,10,13H2,1-5H3.

What are the key properties of 8-methoxy-6-[3-propan-2-yl-5-(1-propan-2-ylpiperidin-3-yl)-1H-indol-2-yl]-[1,2,4]triazolo[1,5-a]pyridine?

8-methoxy-6-[3-propan-2-yl-5-(1-propan-2-ylpiperidin-3-yl)-1H-indol-2-yl]-[1,2,4]triazolo[1,5-a]pyridine has a molecular weight of 431.58 g/mol, XLogP of 5.60, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 8-methoxy-6-[3-propan-2-yl-5-(1-propan-2-ylpiperidin-3-yl)-1H-indol-2-yl]-[1,2,4]triazolo[1,5-a]pyridine is sourced from PubChem (CID 154639581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).