3-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-N-[2-(1H-indol-3-yl)-2-phenylethyl]propanamide

C26H26N6O — CID 46692195

About 3-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-N-[2-(1H-indol-3-yl)-2-phenylethyl]propanamide

3-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-N-[2-(1H-indol-3-yl)-2-phenylethyl]propanamide (PubChem CID 46692195) has the molecular formula C26H26N6O and a molecular weight of 438.54 g/mol. Its IUPAC name is 3-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-N-[2-(1H-indol-3-yl)-2-phenylethyl]propanamide.

Molecular Properties

• Compound Name: 3-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-N-[2-(1H-indol-3-yl)-2-phenylethyl]propanamide
• PubChem CID: 46692195
• Molecular Formula: C26H26N6O
• Molecular Weight: 438.54 g/mol
• Exact Mass: 438.22
• IUPAC Name: 3-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-N-[2-(1H-indol-3-yl)-2-phenylethyl]propanamide
• SMILES: Cc1nc2ncnn2c(C)c1CCC(=O)NCC(c1ccccc1)c1c[nH]c2ccccc12
• InChI: InChI=1S/C26H26N6O/c1-17-20(18(2)32-26(31-17)29-16-30-32)12-13-25(33)28-14-22(19-8-4-3-5-9-19)23-15-27-24-11-7-6-10-21(23)24/h3-11,15-16,22,27H,12-14H2,1-2H3,(H,28,33)
• InChIKey: BUTQMZYDSGCXIK-UHFFFAOYSA-N
• XLogP: 4.10
• TPSA: 87.97 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 7
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	438.54
LogP ≤ 5	4.10
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 3-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-N-[2-(1H-indol-3-yl)-2-phenylethyl]propanamide?

The IUPAC name of 3-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-N-[2-(1H-indol-3-yl)-2-phenylethyl]propanamide (CID 46692195) is 3-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-N-[2-(1H-indol-3-yl)-2-phenylethyl]propanamide.

What is the SMILES notation for 3-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-N-[2-(1H-indol-3-yl)-2-phenylethyl]propanamide?

The canonical SMILES for 3-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-N-[2-(1H-indol-3-yl)-2-phenylethyl]propanamide is Cc1nc2ncnn2c(C)c1CCC(=O)NCC(c1ccccc1)c1c[nH]c2ccccc12.

What is the InChIKey of 3-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-N-[2-(1H-indol-3-yl)-2-phenylethyl]propanamide?

The InChIKey is BUTQMZYDSGCXIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26N6O/c1-17-20(18(2)32-26(31-17)29-16-30-32)12-13-25(33)28-14-22(19-8-4-3-5-9-19)23-15-27-24-11-7-6-10-21(23)24/h3-11,15-16,22,27H,12-14H2,1-2H3,(H,28,33).

What are the key properties of 3-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-N-[2-(1H-indol-3-yl)-2-phenylethyl]propanamide?

3-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-N-[2-(1H-indol-3-yl)-2-phenylethyl]propanamide has a molecular weight of 438.54 g/mol, XLogP of 4.10, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 3-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-N-[2-(1H-indol-3-yl)-2-phenylethyl]propanamide is sourced from PubChem (CID 46692195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).