3-[3,5-dimethyl-1-(6-piperidin-1-ylpyrimidin-4-yl)pyrazol-4-yl]-N-(2-thiophen-2-ylethyl)propanamide

C23H30N6OS — CID 53069547

About 3-[3,5-dimethyl-1-(6-piperidin-1-ylpyrimidin-4-yl)pyrazol-4-yl]-N-(2-thiophen-2-ylethyl)propanamide

3-[3,5-dimethyl-1-(6-piperidin-1-ylpyrimidin-4-yl)pyrazol-4-yl]-N-(2-thiophen-2-ylethyl)propanamide (PubChem CID 53069547) has the molecular formula C23H30N6OS and a molecular weight of 438.60 g/mol. Its IUPAC name is 3-[3,5-dimethyl-1-(6-piperidin-1-ylpyrimidin-4-yl)pyrazol-4-yl]-N-(2-thiophen-2-ylethyl)propanamide.

Molecular Properties

• Compound Name: 3-[3,5-dimethyl-1-(6-piperidin-1-ylpyrimidin-4-yl)pyrazol-4-yl]-N-(2-thiophen-2-ylethyl)propanamide
• PubChem CID: 53069547
• Molecular Formula: C23H30N6OS
• Molecular Weight: 438.60 g/mol
• Exact Mass: 438.22
• IUPAC Name: 3-[3,5-dimethyl-1-(6-piperidin-1-ylpyrimidin-4-yl)pyrazol-4-yl]-N-(2-thiophen-2-ylethyl)propanamide
• SMILES: Cc1nn(-c2cc(N3CCCCC3)ncn2)c(C)c1CCC(=O)NCCc1cccs1
• InChI: InChI=1S/C23H30N6OS/c1-17-20(8-9-23(30)24-11-10-19-7-6-14-31-19)18(2)29(27-17)22-15-21(25-16-26-22)28-12-4-3-5-13-28/h6-7,14-16H,3-5,8-13H2,1-2H3,(H,24,30)
• InChIKey: WXIVTMXMIKEVLV-UHFFFAOYSA-N
• XLogP: 3.62
• TPSA: 75.94 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 8
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	438.60
LogP ≤ 5	3.62
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 3-[3,5-dimethyl-1-(6-piperidin-1-ylpyrimidin-4-yl)pyrazol-4-yl]-N-(2-thiophen-2-ylethyl)propanamide?

The IUPAC name of 3-[3,5-dimethyl-1-(6-piperidin-1-ylpyrimidin-4-yl)pyrazol-4-yl]-N-(2-thiophen-2-ylethyl)propanamide (CID 53069547) is 3-[3,5-dimethyl-1-(6-piperidin-1-ylpyrimidin-4-yl)pyrazol-4-yl]-N-(2-thiophen-2-ylethyl)propanamide.

What is the SMILES notation for 3-[3,5-dimethyl-1-(6-piperidin-1-ylpyrimidin-4-yl)pyrazol-4-yl]-N-(2-thiophen-2-ylethyl)propanamide?

The canonical SMILES for 3-[3,5-dimethyl-1-(6-piperidin-1-ylpyrimidin-4-yl)pyrazol-4-yl]-N-(2-thiophen-2-ylethyl)propanamide is Cc1nn(-c2cc(N3CCCCC3)ncn2)c(C)c1CCC(=O)NCCc1cccs1.

What is the InChIKey of 3-[3,5-dimethyl-1-(6-piperidin-1-ylpyrimidin-4-yl)pyrazol-4-yl]-N-(2-thiophen-2-ylethyl)propanamide?

The InChIKey is WXIVTMXMIKEVLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30N6OS/c1-17-20(8-9-23(30)24-11-10-19-7-6-14-31-19)18(2)29(27-17)22-15-21(25-16-26-22)28-12-4-3-5-13-28/h6-7,14-16H,3-5,8-13H2,1-2H3,(H,24,30).

What are the key properties of 3-[3,5-dimethyl-1-(6-piperidin-1-ylpyrimidin-4-yl)pyrazol-4-yl]-N-(2-thiophen-2-ylethyl)propanamide?

3-[3,5-dimethyl-1-(6-piperidin-1-ylpyrimidin-4-yl)pyrazol-4-yl]-N-(2-thiophen-2-ylethyl)propanamide has a molecular weight of 438.60 g/mol, XLogP of 3.62, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[3,5-dimethyl-1-(6-piperidin-1-ylpyrimidin-4-yl)pyrazol-4-yl]-N-(2-thiophen-2-ylethyl)propanamide is sourced from PubChem (CID 53069547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).