7-[5-chloro-3-morpholin-4-yl-2-(trifluoromethyl)phenyl]-5-(2-fluoropropyl)-8-hydroxypyrido[2,3-b]pyrazin-6-one

C21H19ClF4N4O3 — CID 123240165

IUPAC7-[5-chloro-3-morpholin-4-yl-2-(trifluoromethyl)phenyl]-5-(2-fluoropropyl)-8-hydroxypyrido[2,3-b]pyrazin-6-one
SMILESCC(F)Cn1c(=O)c(-c2cc(Cl)cc(N3CCOCC3)c2C(F)(F)F)c(O)c2nccnc21
InChIInChI=1S/C21H19ClF4N4O3/c1-11(23)10-30-19-17(27-2-3-28-19)18(31)15(20(30)32)13-8-12(22)9-14(16(13)21(24,25)26)29-4-6-33-7-5-29/h2-3,8-9,11,31H,4-7,10H2,1H3
InChIKeyLUWIDEXGAAYBFO-UHFFFAOYSA-N
MW486.85 g/mol
LogP4.03
Rot. Bonds4

About 7-[5-chloro-3-morpholin-4-yl-2-(trifluoromethyl)phenyl]-5-(2-fluoropropyl)-8-hydroxypyrido[2,3-b]pyrazin-6-one

7-[5-chloro-3-morpholin-4-yl-2-(trifluoromethyl)phenyl]-5-(2-fluoropropyl)-8-hydroxypyrido[2,3-b]pyrazin-6-one (PubChem CID 123240165) has the molecular formula C21H19ClF4N4O3 and a molecular weight of 486.85 g/mol. Its IUPAC name is 7-[5-chloro-3-morpholin-4-yl-2-(trifluoromethyl)phenyl]-5-(2-fluoropropyl)-8-hydroxypyrido[2,3-b]pyrazin-6-one.

Molecular Properties

Compound Name7-[5-chloro-3-morpholin-4-yl-2-(trifluoromethyl)phenyl]-5-(2-fluoropropyl)-8-hydroxypyrido[2,3-b]pyrazin-6-one
PubChem CID123240165
Molecular FormulaC21H19ClF4N4O3
Molecular Weight486.85 g/mol
Exact Mass486.11
IUPAC Name7-[5-chloro-3-morpholin-4-yl-2-(trifluoromethyl)phenyl]-5-(2-fluoropropyl)-8-hydroxypyrido[2,3-b]pyrazin-6-one
SMILESCC(F)Cn1c(=O)c(-c2cc(Cl)cc(N3CCOCC3)c2C(F)(F)F)c(O)c2nccnc21
InChIInChI=1S/C21H19ClF4N4O3/c1-11(23)10-30-19-17(27-2-3-28-19)18(31)15(20(30)32)13-8-12(22)9-14(16(13)21(24,25)26)29-4-6-33-7-5-29/h2-3,8-9,11,31H,4-7,10H2,1H3
InChIKeyLUWIDEXGAAYBFO-UHFFFAOYSA-N
XLogP4.03
TPSA80.48 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500486.85
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 7-[5-chloro-3-morpholin-4-yl-2-(trifluoromethyl)phenyl]-5-(2-fluoropropyl)-8-hydroxypyrido[2,3-b]pyrazin-6-one?
The IUPAC name of 7-[5-chloro-3-morpholin-4-yl-2-(trifluoromethyl)phenyl]-5-(2-fluoropropyl)-8-hydroxypyrido[2,3-b]pyrazin-6-one (CID 123240165) is 7-[5-chloro-3-morpholin-4-yl-2-(trifluoromethyl)phenyl]-5-(2-fluoropropyl)-8-hydroxypyrido[2,3-b]pyrazin-6-one.
What is the SMILES notation for 7-[5-chloro-3-morpholin-4-yl-2-(trifluoromethyl)phenyl]-5-(2-fluoropropyl)-8-hydroxypyrido[2,3-b]pyrazin-6-one?
The canonical SMILES for 7-[5-chloro-3-morpholin-4-yl-2-(trifluoromethyl)phenyl]-5-(2-fluoropropyl)-8-hydroxypyrido[2,3-b]pyrazin-6-one is CC(F)Cn1c(=O)c(-c2cc(Cl)cc(N3CCOCC3)c2C(F)(F)F)c(O)c2nccnc21.
What is the InChIKey of 7-[5-chloro-3-morpholin-4-yl-2-(trifluoromethyl)phenyl]-5-(2-fluoropropyl)-8-hydroxypyrido[2,3-b]pyrazin-6-one?
The InChIKey is LUWIDEXGAAYBFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19ClF4N4O3/c1-11(23)10-30-19-17(27-2-3-28-19)18(31)15(20(30)32)13-8-12(22)9-14(16(13)21(24,25)26)29-4-6-33-7-5-29/h2-3,8-9,11,31H,4-7,10H2,1H3.
What are the key properties of 7-[5-chloro-3-morpholin-4-yl-2-(trifluoromethyl)phenyl]-5-(2-fluoropropyl)-8-hydroxypyrido[2,3-b]pyrazin-6-one?
7-[5-chloro-3-morpholin-4-yl-2-(trifluoromethyl)phenyl]-5-(2-fluoropropyl)-8-hydroxypyrido[2,3-b]pyrazin-6-one has a molecular weight of 486.85 g/mol, XLogP of 4.03, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[5-chloro-3-morpholin-4-yl-2-(trifluoromethyl)phenyl]-5-(2-fluoropropyl)-8-hydroxypyrido[2,3-b]pyrazin-6-one is sourced from PubChem (CID 123240165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).