8-[2-ethyl-4-[5-hydroxy-2-oxo-3-[5-(trifluoromethyl)-3-pyridinyl]imidazolidin-1-yl]phenoxy]-4H-pyrido[2,3-b]pyrazin-3-one

C24H19F3N6O4 — CID 165167302

About 8-[2-ethyl-4-[5-hydroxy-2-oxo-3-[5-(trifluoromethyl)-3-pyridinyl]imidazolidin-1-yl]phenoxy]-4H-pyrido[2,3-b]pyrazin-3-one

8-[2-ethyl-4-[5-hydroxy-2-oxo-3-[5-(trifluoromethyl)-3-pyridinyl]imidazolidin-1-yl]phenoxy]-4H-pyrido[2,3-b]pyrazin-3-one (PubChem CID 165167302) has the molecular formula C24H19F3N6O4 and a molecular weight of 512.45 g/mol. Its IUPAC name is 8-[2-ethyl-4-[5-hydroxy-2-oxo-3-[5-(trifluoromethyl)-3-pyridinyl]imidazolidin-1-yl]phenoxy]-4H-pyrido[2,3-b]pyrazin-3-one.

Molecular Properties

• Compound Name: 8-[2-ethyl-4-[5-hydroxy-2-oxo-3-[5-(trifluoromethyl)-3-pyridinyl]imidazolidin-1-yl]phenoxy]-4H-pyrido[2,3-b]pyrazin-3-one
• PubChem CID: 165167302
• Molecular Formula: C24H19F3N6O4
• Molecular Weight: 512.45 g/mol
• Exact Mass: 512.14
• IUPAC Name: 8-[2-ethyl-4-[5-hydroxy-2-oxo-3-[5-(trifluoromethyl)-3-pyridinyl]imidazolidin-1-yl]phenoxy]-4H-pyrido[2,3-b]pyrazin-3-one
• SMILES: CCc1cc(N2C(=O)N(c3cncc(C(F)(F)F)c3)CC2O)ccc1Oc1ccnc2[nH]c(=O)cnc12
• InChI: InChI=1S/C24H19F3N6O4/c1-2-13-7-15(3-4-17(13)37-18-5-6-29-22-21(18)30-11-19(34)31-22)33-20(35)12-32(23(33)36)16-8-14(9-28-10-16)24(25,26)27/h3-11,20,35H,2,12H2,1H3,(H,29,31,34)
• InChIKey: DHBYTLSPRXTBPT-UHFFFAOYSA-N
• XLogP: 3.85
• TPSA: 124.54 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 5
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	512.45
LogP ≤ 5	3.85
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 8-[2-ethyl-4-[5-hydroxy-2-oxo-3-[5-(trifluoromethyl)-3-pyridinyl]imidazolidin-1-yl]phenoxy]-4H-pyrido[2,3-b]pyrazin-3-one?

The IUPAC name of 8-[2-ethyl-4-[5-hydroxy-2-oxo-3-[5-(trifluoromethyl)-3-pyridinyl]imidazolidin-1-yl]phenoxy]-4H-pyrido[2,3-b]pyrazin-3-one (CID 165167302) is 8-[2-ethyl-4-[5-hydroxy-2-oxo-3-[5-(trifluoromethyl)-3-pyridinyl]imidazolidin-1-yl]phenoxy]-4H-pyrido[2,3-b]pyrazin-3-one.

What is the SMILES notation for 8-[2-ethyl-4-[5-hydroxy-2-oxo-3-[5-(trifluoromethyl)-3-pyridinyl]imidazolidin-1-yl]phenoxy]-4H-pyrido[2,3-b]pyrazin-3-one?

The canonical SMILES for 8-[2-ethyl-4-[5-hydroxy-2-oxo-3-[5-(trifluoromethyl)-3-pyridinyl]imidazolidin-1-yl]phenoxy]-4H-pyrido[2,3-b]pyrazin-3-one is CCc1cc(N2C(=O)N(c3cncc(C(F)(F)F)c3)CC2O)ccc1Oc1ccnc2[nH]c(=O)cnc12.

What is the InChIKey of 8-[2-ethyl-4-[5-hydroxy-2-oxo-3-[5-(trifluoromethyl)-3-pyridinyl]imidazolidin-1-yl]phenoxy]-4H-pyrido[2,3-b]pyrazin-3-one?

The InChIKey is DHBYTLSPRXTBPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19F3N6O4/c1-2-13-7-15(3-4-17(13)37-18-5-6-29-22-21(18)30-11-19(34)31-22)33-20(35)12-32(23(33)36)16-8-14(9-28-10-16)24(25,26)27/h3-11,20,35H,2,12H2,1H3,(H,29,31,34).

What are the key properties of 8-[2-ethyl-4-[5-hydroxy-2-oxo-3-[5-(trifluoromethyl)-3-pyridinyl]imidazolidin-1-yl]phenoxy]-4H-pyrido[2,3-b]pyrazin-3-one?

8-[2-ethyl-4-[5-hydroxy-2-oxo-3-[5-(trifluoromethyl)-3-pyridinyl]imidazolidin-1-yl]phenoxy]-4H-pyrido[2,3-b]pyrazin-3-one has a molecular weight of 512.45 g/mol, XLogP of 3.85, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 8-[2-ethyl-4-[5-hydroxy-2-oxo-3-[5-(trifluoromethyl)-3-pyridinyl]imidazolidin-1-yl]phenoxy]-4H-pyrido[2,3-b]pyrazin-3-one is sourced from PubChem (CID 165167302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).