2-[1-(2-methoxyethyl)indol-3-yl]-N-[(1R)-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]acetamide

C21H23N5O2 — CID 97267128

About 2-[1-(2-methoxyethyl)indol-3-yl]-N-[(1R)-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]acetamide

2-[1-(2-methoxyethyl)indol-3-yl]-N-[(1R)-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]acetamide (PubChem CID 97267128) has the molecular formula C21H23N5O2 and a molecular weight of 377.45 g/mol. Its IUPAC name is 2-[1-(2-methoxyethyl)indol-3-yl]-N-[(1R)-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]acetamide.

Molecular Properties

• Compound Name: 2-[1-(2-methoxyethyl)indol-3-yl]-N-[(1R)-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]acetamide
• PubChem CID: 97267128
• Molecular Formula: C21H23N5O2
• Molecular Weight: 377.45 g/mol
• Exact Mass: 377.19
• IUPAC Name: 2-[1-(2-methoxyethyl)indol-3-yl]-N-[(1R)-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]acetamide
• SMILES: COCCn1cc(CC(=O)N[C@H](C)c2nnc3ccccn23)c2ccccc21
• InChI: InChI=1S/C21H23N5O2/c1-15(21-24-23-19-9-5-6-10-26(19)21)22-20(27)13-16-14-25(11-12-28-2)18-8-4-3-7-17(16)18/h3-10,14-15H,11-13H2,1-2H3,(H,22,27)/t15-/m1/s1
• InChIKey: IBXQAFUCOLFGHD-OAHLLOKOSA-N
• XLogP: 2.75
• TPSA: 73.45 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 7
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	377.45
LogP ≤ 5	2.75
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 2-[1-(2-methoxyethyl)indol-3-yl]-N-[(1R)-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]acetamide?

The IUPAC name of 2-[1-(2-methoxyethyl)indol-3-yl]-N-[(1R)-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]acetamide (CID 97267128) is 2-[1-(2-methoxyethyl)indol-3-yl]-N-[(1R)-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]acetamide.

What is the SMILES notation for 2-[1-(2-methoxyethyl)indol-3-yl]-N-[(1R)-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]acetamide?

The canonical SMILES for 2-[1-(2-methoxyethyl)indol-3-yl]-N-[(1R)-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]acetamide is COCCn1cc(CC(=O)N[C@H](C)c2nnc3ccccn23)c2ccccc21.

What is the InChIKey of 2-[1-(2-methoxyethyl)indol-3-yl]-N-[(1R)-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]acetamide?

The InChIKey is IBXQAFUCOLFGHD-OAHLLOKOSA-N. The full InChI is InChI=1S/C21H23N5O2/c1-15(21-24-23-19-9-5-6-10-26(19)21)22-20(27)13-16-14-25(11-12-28-2)18-8-4-3-7-17(16)18/h3-10,14-15H,11-13H2,1-2H3,(H,22,27)/t15-/m1/s1.

What are the key properties of 2-[1-(2-methoxyethyl)indol-3-yl]-N-[(1R)-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]acetamide?

2-[1-(2-methoxyethyl)indol-3-yl]-N-[(1R)-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]acetamide has a molecular weight of 377.45 g/mol, XLogP of 2.75, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[1-(2-methoxyethyl)indol-3-yl]-N-[(1R)-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]acetamide is sourced from PubChem (CID 97267128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).