3-[2-(8-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3-propan-2-yl-1H-indol-5-yl]azetidine-1-carboxylic acid

C22H23N5O2 — CID 155142382

About 3-[2-(8-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3-propan-2-yl-1H-indol-5-yl]azetidine-1-carboxylic acid

3-[2-(8-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3-propan-2-yl-1H-indol-5-yl]azetidine-1-carboxylic acid (PubChem CID 155142382) has the molecular formula C22H23N5O2 and a molecular weight of 389.46 g/mol. Its IUPAC name is 3-[2-(8-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3-propan-2-yl-1H-indol-5-yl]azetidine-1-carboxylic acid.

Molecular Properties

• Compound Name: 3-[2-(8-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3-propan-2-yl-1H-indol-5-yl]azetidine-1-carboxylic acid
• PubChem CID: 155142382
• Molecular Formula: C22H23N5O2
• Molecular Weight: 389.46 g/mol
• Exact Mass: 389.19
• IUPAC Name: 3-[2-(8-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3-propan-2-yl-1H-indol-5-yl]azetidine-1-carboxylic acid
• SMILES: Cc1cc(-c2[nH]c3ccc(C4CN(C(=O)O)C4)cc3c2C(C)C)cn2ncnc12
• InChI: InChI=1S/C22H23N5O2/c1-12(2)19-17-7-14(16-8-26(9-16)22(28)29)4-5-18(17)25-20(19)15-6-13(3)21-23-11-24-27(21)10-15/h4-7,10-12,16,25H,8-9H2,1-3H3,(H,28,29)
• InChIKey: OPKNGGSCJGOEAK-UHFFFAOYSA-N
• XLogP: 4.39
• TPSA: 86.52 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 4
• Rotatable Bonds: 3
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	389.46
LogP ≤ 5	4.39
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 3-[2-(8-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3-propan-2-yl-1H-indol-5-yl]azetidine-1-carboxylic acid?

The IUPAC name of 3-[2-(8-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3-propan-2-yl-1H-indol-5-yl]azetidine-1-carboxylic acid (CID 155142382) is 3-[2-(8-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3-propan-2-yl-1H-indol-5-yl]azetidine-1-carboxylic acid.

What is the SMILES notation for 3-[2-(8-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3-propan-2-yl-1H-indol-5-yl]azetidine-1-carboxylic acid?

The canonical SMILES for 3-[2-(8-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3-propan-2-yl-1H-indol-5-yl]azetidine-1-carboxylic acid is Cc1cc(-c2[nH]c3ccc(C4CN(C(=O)O)C4)cc3c2C(C)C)cn2ncnc12.

What is the InChIKey of 3-[2-(8-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3-propan-2-yl-1H-indol-5-yl]azetidine-1-carboxylic acid?

The InChIKey is OPKNGGSCJGOEAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N5O2/c1-12(2)19-17-7-14(16-8-26(9-16)22(28)29)4-5-18(17)25-20(19)15-6-13(3)21-23-11-24-27(21)10-15/h4-7,10-12,16,25H,8-9H2,1-3H3,(H,28,29).

What are the key properties of 3-[2-(8-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3-propan-2-yl-1H-indol-5-yl]azetidine-1-carboxylic acid?

3-[2-(8-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3-propan-2-yl-1H-indol-5-yl]azetidine-1-carboxylic acid has a molecular weight of 389.46 g/mol, XLogP of 4.39, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[2-(8-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3-propan-2-yl-1H-indol-5-yl]azetidine-1-carboxylic acid is sourced from PubChem (CID 155142382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).