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

C24H29N5O — CID 137463938

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

3-(methoxymethyl)-6-(5-piperidin-4-yl-3-propan-2-yl-1H-indol-2-yl)-[1,2,4]triazolo[4,3-a]pyridine (PubChem CID 137463938) has the molecular formula C24H29N5O and a molecular weight of 403.53 g/mol. Its IUPAC name is 3-(methoxymethyl)-6-(5-piperidin-4-yl-3-propan-2-yl-1H-indol-2-yl)-[1,2,4]triazolo[4,3-a]pyridine.

Molecular Properties

• Compound Name: 3-(methoxymethyl)-6-(5-piperidin-4-yl-3-propan-2-yl-1H-indol-2-yl)-[1,2,4]triazolo[4,3-a]pyridine
• PubChem CID: 137463938
• Molecular Formula: C24H29N5O
• Molecular Weight: 403.53 g/mol
• Exact Mass: 403.24
• IUPAC Name: 3-(methoxymethyl)-6-(5-piperidin-4-yl-3-propan-2-yl-1H-indol-2-yl)-[1,2,4]triazolo[4,3-a]pyridine
• SMILES: COCc1nnc2ccc(-c3[nH]c4ccc(C5CCNCC5)cc4c3C(C)C)cn12
• InChI: InChI=1S/C24H29N5O/c1-15(2)23-19-12-17(16-8-10-25-11-9-16)4-6-20(19)26-24(23)18-5-7-21-27-28-22(14-30-3)29(21)13-18/h4-7,12-13,15-16,25-26H,8-11,14H2,1-3H3
• InChIKey: QYJGBFQMHQZMBZ-UHFFFAOYSA-N
• XLogP: 4.61
• TPSA: 67.24 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	403.53
LogP ≤ 5	4.61
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

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

The IUPAC name of 3-(methoxymethyl)-6-(5-piperidin-4-yl-3-propan-2-yl-1H-indol-2-yl)-[1,2,4]triazolo[4,3-a]pyridine (CID 137463938) is 3-(methoxymethyl)-6-(5-piperidin-4-yl-3-propan-2-yl-1H-indol-2-yl)-[1,2,4]triazolo[4,3-a]pyridine.

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

The canonical SMILES for 3-(methoxymethyl)-6-(5-piperidin-4-yl-3-propan-2-yl-1H-indol-2-yl)-[1,2,4]triazolo[4,3-a]pyridine is COCc1nnc2ccc(-c3[nH]c4ccc(C5CCNCC5)cc4c3C(C)C)cn12.

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

The InChIKey is QYJGBFQMHQZMBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29N5O/c1-15(2)23-19-12-17(16-8-10-25-11-9-16)4-6-20(19)26-24(23)18-5-7-21-27-28-22(14-30-3)29(21)13-18/h4-7,12-13,15-16,25-26H,8-11,14H2,1-3H3.

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

3-(methoxymethyl)-6-(5-piperidin-4-yl-3-propan-2-yl-1H-indol-2-yl)-[1,2,4]triazolo[4,3-a]pyridine has a molecular weight of 403.53 g/mol, XLogP of 4.61, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 3-(methoxymethyl)-6-(5-piperidin-4-yl-3-propan-2-yl-1H-indol-2-yl)-[1,2,4]triazolo[4,3-a]pyridine is sourced from PubChem (CID 137463938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).