5-[1-[2-oxo-2-[4-[5-(trifluoromethyl)pyrimidin-2-yl]piperazin-1-yl]ethoxy]propan-2-yl]-3-(trifluoromethyl)-1H-pyridin-2-one

C20H21F6N5O3 — CID 171492820

About 5-[1-[2-oxo-2-[4-[5-(trifluoromethyl)pyrimidin-2-yl]piperazin-1-yl]ethoxy]propan-2-yl]-3-(trifluoromethyl)-1H-pyridin-2-one

5-[1-[2-oxo-2-[4-[5-(trifluoromethyl)pyrimidin-2-yl]piperazin-1-yl]ethoxy]propan-2-yl]-3-(trifluoromethyl)-1H-pyridin-2-one (PubChem CID 171492820) has the molecular formula C20H21F6N5O3 and a molecular weight of 493.41 g/mol. Its IUPAC name is 5-[1-[2-oxo-2-[4-[5-(trifluoromethyl)pyrimidin-2-yl]piperazin-1-yl]ethoxy]propan-2-yl]-3-(trifluoromethyl)-1H-pyridin-2-one.

Molecular Properties

• Compound Name: 5-[1-[2-oxo-2-[4-[5-(trifluoromethyl)pyrimidin-2-yl]piperazin-1-yl]ethoxy]propan-2-yl]-3-(trifluoromethyl)-1H-pyridin-2-one
• PubChem CID: 171492820
• Molecular Formula: C20H21F6N5O3
• Molecular Weight: 493.41 g/mol
• Exact Mass: 493.15
• IUPAC Name: 5-[1-[2-oxo-2-[4-[5-(trifluoromethyl)pyrimidin-2-yl]piperazin-1-yl]ethoxy]propan-2-yl]-3-(trifluoromethyl)-1H-pyridin-2-one
• SMILES: CC(COCC(=O)N1CCN(c2ncc(C(F)(F)F)cn2)CC1)c1c[nH]c(=O)c(C(F)(F)F)c1
• InChI: InChI=1S/C20H21F6N5O3/c1-12(13-6-15(20(24,25)26)17(33)27-7-13)10-34-11-16(32)30-2-4-31(5-3-30)18-28-8-14(9-29-18)19(21,22)23/h6-9,12H,2-5,10-11H2,1H3,(H,27,33)
• InChIKey: SQSOXBUCQGYUNB-UHFFFAOYSA-N
• XLogP: 2.67
• TPSA: 91.42 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	493.41
LogP ≤ 5	2.67
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 5-[1-[2-oxo-2-[4-[5-(trifluoromethyl)pyrimidin-2-yl]piperazin-1-yl]ethoxy]propan-2-yl]-3-(trifluoromethyl)-1H-pyridin-2-one?

The IUPAC name of 5-[1-[2-oxo-2-[4-[5-(trifluoromethyl)pyrimidin-2-yl]piperazin-1-yl]ethoxy]propan-2-yl]-3-(trifluoromethyl)-1H-pyridin-2-one (CID 171492820) is 5-[1-[2-oxo-2-[4-[5-(trifluoromethyl)pyrimidin-2-yl]piperazin-1-yl]ethoxy]propan-2-yl]-3-(trifluoromethyl)-1H-pyridin-2-one.

What is the SMILES notation for 5-[1-[2-oxo-2-[4-[5-(trifluoromethyl)pyrimidin-2-yl]piperazin-1-yl]ethoxy]propan-2-yl]-3-(trifluoromethyl)-1H-pyridin-2-one?

The canonical SMILES for 5-[1-[2-oxo-2-[4-[5-(trifluoromethyl)pyrimidin-2-yl]piperazin-1-yl]ethoxy]propan-2-yl]-3-(trifluoromethyl)-1H-pyridin-2-one is CC(COCC(=O)N1CCN(c2ncc(C(F)(F)F)cn2)CC1)c1c[nH]c(=O)c(C(F)(F)F)c1.

What is the InChIKey of 5-[1-[2-oxo-2-[4-[5-(trifluoromethyl)pyrimidin-2-yl]piperazin-1-yl]ethoxy]propan-2-yl]-3-(trifluoromethyl)-1H-pyridin-2-one?

The InChIKey is SQSOXBUCQGYUNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21F6N5O3/c1-12(13-6-15(20(24,25)26)17(33)27-7-13)10-34-11-16(32)30-2-4-31(5-3-30)18-28-8-14(9-29-18)19(21,22)23/h6-9,12H,2-5,10-11H2,1H3,(H,27,33).

What are the key properties of 5-[1-[2-oxo-2-[4-[5-(trifluoromethyl)pyrimidin-2-yl]piperazin-1-yl]ethoxy]propan-2-yl]-3-(trifluoromethyl)-1H-pyridin-2-one?

5-[1-[2-oxo-2-[4-[5-(trifluoromethyl)pyrimidin-2-yl]piperazin-1-yl]ethoxy]propan-2-yl]-3-(trifluoromethyl)-1H-pyridin-2-one has a molecular weight of 493.41 g/mol, XLogP of 2.67, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[1-[2-oxo-2-[4-[5-(trifluoromethyl)pyrimidin-2-yl]piperazin-1-yl]ethoxy]propan-2-yl]-3-(trifluoromethyl)-1H-pyridin-2-one is sourced from PubChem (CID 171492820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).