2-hydroxy-2-methyl-1-[2-(1H-pyrazol-4-yl)-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]piperazin-1-yl]propan-1-one

C23H23F3N8O2 — CID 139344647

About 2-hydroxy-2-methyl-1-[2-(1H-pyrazol-4-yl)-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]piperazin-1-yl]propan-1-one

2-hydroxy-2-methyl-1-[2-(1H-pyrazol-4-yl)-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]piperazin-1-yl]propan-1-one (PubChem CID 139344647) has the molecular formula C23H23F3N8O2 and a molecular weight of 500.49 g/mol. Its IUPAC name is 2-hydroxy-2-methyl-1-[2-(1H-pyrazol-4-yl)-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]piperazin-1-yl]propan-1-one.

Molecular Properties

• Compound Name: 2-hydroxy-2-methyl-1-[2-(1H-pyrazol-4-yl)-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]piperazin-1-yl]propan-1-one
• PubChem CID: 139344647
• Molecular Formula: C23H23F3N8O2
• Molecular Weight: 500.49 g/mol
• Exact Mass: 500.19
• IUPAC Name: 2-hydroxy-2-methyl-1-[2-(1H-pyrazol-4-yl)-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]piperazin-1-yl]propan-1-one
• SMILES: CC(C)(O)C(=O)N1CCN(c2ccnc(-c3cnc4ccc(C(F)(F)F)cn34)n2)CC1c1cn[nH]c1
• InChI: InChI=1S/C23H23F3N8O2/c1-22(2,36)21(35)33-8-7-32(13-17(33)14-9-29-30-10-14)19-5-6-27-20(31-19)16-11-28-18-4-3-15(12-34(16)18)23(24,25)26/h3-6,9-12,17,36H,7-8,13H2,1-2H3,(H,29,30)
• InChIKey: HCAIQNZITLRHNL-UHFFFAOYSA-N
• XLogP: 2.69
• TPSA: 115.54 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 4
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	500.49
LogP ≤ 5	2.69
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-2-methyl-1-[2-(1H-pyrazol-4-yl)-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]piperazin-1-yl]propan-1-one?

The IUPAC name of 2-hydroxy-2-methyl-1-[2-(1H-pyrazol-4-yl)-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]piperazin-1-yl]propan-1-one (CID 139344647) is 2-hydroxy-2-methyl-1-[2-(1H-pyrazol-4-yl)-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]piperazin-1-yl]propan-1-one.

What is the SMILES notation for 2-hydroxy-2-methyl-1-[2-(1H-pyrazol-4-yl)-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]piperazin-1-yl]propan-1-one?

The canonical SMILES for 2-hydroxy-2-methyl-1-[2-(1H-pyrazol-4-yl)-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]piperazin-1-yl]propan-1-one is CC(C)(O)C(=O)N1CCN(c2ccnc(-c3cnc4ccc(C(F)(F)F)cn34)n2)CC1c1cn[nH]c1.

What is the InChIKey of 2-hydroxy-2-methyl-1-[2-(1H-pyrazol-4-yl)-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]piperazin-1-yl]propan-1-one?

The InChIKey is HCAIQNZITLRHNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23F3N8O2/c1-22(2,36)21(35)33-8-7-32(13-17(33)14-9-29-30-10-14)19-5-6-27-20(31-19)16-11-28-18-4-3-15(12-34(16)18)23(24,25)26/h3-6,9-12,17,36H,7-8,13H2,1-2H3,(H,29,30).

What are the key properties of 2-hydroxy-2-methyl-1-[2-(1H-pyrazol-4-yl)-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]piperazin-1-yl]propan-1-one?

2-hydroxy-2-methyl-1-[2-(1H-pyrazol-4-yl)-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]piperazin-1-yl]propan-1-one has a molecular weight of 500.49 g/mol, XLogP of 2.69, 4 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 2-hydroxy-2-methyl-1-[2-(1H-pyrazol-4-yl)-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]piperazin-1-yl]propan-1-one is sourced from PubChem (CID 139344647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).