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

C23H29Cl2N5O — CID 140830339

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

8-methoxy-6-(5-piperidin-4-yl-3-propan-2-yl-1H-indol-2-yl)-[1,2,4]triazolo[1,5-a]pyridine;dihydrochloride (PubChem CID 140830339) has the molecular formula C23H29Cl2N5O and a molecular weight of 462.43 g/mol. Its IUPAC name is 8-methoxy-6-(5-piperidin-4-yl-3-propan-2-yl-1H-indol-2-yl)-[1,2,4]triazolo[1,5-a]pyridine;dihydrochloride.

Molecular Properties

• Compound Name: 8-methoxy-6-(5-piperidin-4-yl-3-propan-2-yl-1H-indol-2-yl)-[1,2,4]triazolo[1,5-a]pyridine;dihydrochloride
• PubChem CID: 140830339
• Molecular Formula: C23H29Cl2N5O
• Molecular Weight: 462.43 g/mol
• Exact Mass: 461.17
• IUPAC Name: 8-methoxy-6-(5-piperidin-4-yl-3-propan-2-yl-1H-indol-2-yl)-[1,2,4]triazolo[1,5-a]pyridine;dihydrochloride
• SMILES: COc1cc(-c2[nH]c3ccc(C4CCNCC4)cc3c2C(C)C)cn2ncnc12.Cl.Cl
• InChI: InChI=1S/C23H27N5O.2ClH/c1-14(2)21-18-10-16(15-6-8-24-9-7-15)4-5-19(18)27-22(21)17-11-20(29-3)23-25-13-26-28(23)12-17;;/h4-5,10-15,24,27H,6-9H2,1-3H3;2*1H
• InChIKey: ISTFFAVWUYRCIQ-UHFFFAOYSA-N
• XLogP: 5.32
• TPSA: 67.24 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 4
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	462.43
LogP ≤ 5	5.32
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

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

The IUPAC name of 8-methoxy-6-(5-piperidin-4-yl-3-propan-2-yl-1H-indol-2-yl)-[1,2,4]triazolo[1,5-a]pyridine;dihydrochloride (CID 140830339) is 8-methoxy-6-(5-piperidin-4-yl-3-propan-2-yl-1H-indol-2-yl)-[1,2,4]triazolo[1,5-a]pyridine;dihydrochloride.

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

The canonical SMILES for 8-methoxy-6-(5-piperidin-4-yl-3-propan-2-yl-1H-indol-2-yl)-[1,2,4]triazolo[1,5-a]pyridine;dihydrochloride is COc1cc(-c2[nH]c3ccc(C4CCNCC4)cc3c2C(C)C)cn2ncnc12.Cl.Cl.

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

The InChIKey is ISTFFAVWUYRCIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N5O.2ClH/c1-14(2)21-18-10-16(15-6-8-24-9-7-15)4-5-19(18)27-22(21)17-11-20(29-3)23-25-13-26-28(23)12-17;;/h4-5,10-15,24,27H,6-9H2,1-3H3;2*1H.

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

8-methoxy-6-(5-piperidin-4-yl-3-propan-2-yl-1H-indol-2-yl)-[1,2,4]triazolo[1,5-a]pyridine;dihydrochloride has a molecular weight of 462.43 g/mol, XLogP of 5.32, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 8-methoxy-6-(5-piperidin-4-yl-3-propan-2-yl-1H-indol-2-yl)-[1,2,4]triazolo[1,5-a]pyridine;dihydrochloride is sourced from PubChem (CID 140830339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).