3-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-N-[(2S)-2-(4-methoxyphenyl)-2-piperidin-1-ylethyl]propanamide

C24H32N6O2 — CID 41138395

About 3-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-N-[(2S)-2-(4-methoxyphenyl)-2-piperidin-1-ylethyl]propanamide

3-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-N-[(2S)-2-(4-methoxyphenyl)-2-piperidin-1-ylethyl]propanamide (PubChem CID 41138395) has the molecular formula C24H32N6O2 and a molecular weight of 436.56 g/mol. Its IUPAC name is 3-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-N-[(2S)-2-(4-methoxyphenyl)-2-piperidin-1-ylethyl]propanamide.

Molecular Properties

• Compound Name: 3-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-N-[(2S)-2-(4-methoxyphenyl)-2-piperidin-1-ylethyl]propanamide
• PubChem CID: 41138395
• Molecular Formula: C24H32N6O2
• Molecular Weight: 436.56 g/mol
• Exact Mass: 436.26
• IUPAC Name: 3-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-N-[(2S)-2-(4-methoxyphenyl)-2-piperidin-1-ylethyl]propanamide
• SMILES: COc1ccc([C@@H](CNC(=O)CCc2c(C)nc3ncnn3c2C)N2CCCCC2)cc1
• InChI: InChI=1S/C24H32N6O2/c1-17-21(18(2)30-24(28-17)26-16-27-30)11-12-23(31)25-15-22(29-13-5-4-6-14-29)19-7-9-20(32-3)10-8-19/h7-10,16,22H,4-6,11-15H2,1-3H3,(H,25,31)/t22-/m1/s1
• InChIKey: SYLZAXYWXYBZIW-JOCHJYFZSA-N
• XLogP: 3.03
• TPSA: 84.65 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 8
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	436.56
LogP ≤ 5	3.03
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 3-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-N-[(2S)-2-(4-methoxyphenyl)-2-piperidin-1-ylethyl]propanamide?

The IUPAC name of 3-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-N-[(2S)-2-(4-methoxyphenyl)-2-piperidin-1-ylethyl]propanamide (CID 41138395) is 3-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-N-[(2S)-2-(4-methoxyphenyl)-2-piperidin-1-ylethyl]propanamide.

What is the SMILES notation for 3-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-N-[(2S)-2-(4-methoxyphenyl)-2-piperidin-1-ylethyl]propanamide?

The canonical SMILES for 3-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-N-[(2S)-2-(4-methoxyphenyl)-2-piperidin-1-ylethyl]propanamide is COc1ccc([C@@H](CNC(=O)CCc2c(C)nc3ncnn3c2C)N2CCCCC2)cc1.

What is the InChIKey of 3-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-N-[(2S)-2-(4-methoxyphenyl)-2-piperidin-1-ylethyl]propanamide?

The InChIKey is SYLZAXYWXYBZIW-JOCHJYFZSA-N. The full InChI is InChI=1S/C24H32N6O2/c1-17-21(18(2)30-24(28-17)26-16-27-30)11-12-23(31)25-15-22(29-13-5-4-6-14-29)19-7-9-20(32-3)10-8-19/h7-10,16,22H,4-6,11-15H2,1-3H3,(H,25,31)/t22-/m1/s1.

What are the key properties of 3-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-N-[(2S)-2-(4-methoxyphenyl)-2-piperidin-1-ylethyl]propanamide?

3-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-N-[(2S)-2-(4-methoxyphenyl)-2-piperidin-1-ylethyl]propanamide has a molecular weight of 436.56 g/mol, XLogP of 3.03, 8 rotatable bonds, 1 hydrogen bond donors, and 7 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-[(2S)-2-(4-methoxyphenyl)-2-piperidin-1-ylethyl]propanamide is sourced from PubChem (CID 41138395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).