7-[5-chloro-2-(1-fluoroethenyl)-3-morpholin-4-ylphenyl]-5-(2,2-difluoroethyl)-8-hydroxypyrido[2,3-b]pyrazin-6-one

C21H18ClF3N4O3 — CID 88901299

IUPAC7-[5-chloro-2-(1-fluoroethenyl)-3-morpholin-4-ylphenyl]-5-(2,2-difluoroethyl)-8-hydroxypyrido[2,3-b]pyrazin-6-one
SMILESC=C(F)c1c(-c2c(O)c3nccnc3n(CC(F)F)c2=O)cc(Cl)cc1N1CCOCC1
InChIInChI=1S/C21H18ClF3N4O3/c1-11(23)16-13(8-12(22)9-14(16)28-4-6-32-7-5-28)17-19(30)18-20(27-3-2-26-18)29(21(17)31)10-15(24)25/h2-3,8-9,15,30H,1,4-7,10H2
InChIKeyIKMUXBMJMZOVTJ-UHFFFAOYSA-N
MW466.85 g/mol
LogP3.86
Rot. Bonds5

About 7-[5-chloro-2-(1-fluoroethenyl)-3-morpholin-4-ylphenyl]-5-(2,2-difluoroethyl)-8-hydroxypyrido[2,3-b]pyrazin-6-one

7-[5-chloro-2-(1-fluoroethenyl)-3-morpholin-4-ylphenyl]-5-(2,2-difluoroethyl)-8-hydroxypyrido[2,3-b]pyrazin-6-one (PubChem CID 88901299) has the molecular formula C21H18ClF3N4O3 and a molecular weight of 466.85 g/mol. Its IUPAC name is 7-[5-chloro-2-(1-fluoroethenyl)-3-morpholin-4-ylphenyl]-5-(2,2-difluoroethyl)-8-hydroxypyrido[2,3-b]pyrazin-6-one.

Molecular Properties

Compound Name7-[5-chloro-2-(1-fluoroethenyl)-3-morpholin-4-ylphenyl]-5-(2,2-difluoroethyl)-8-hydroxypyrido[2,3-b]pyrazin-6-one
PubChem CID88901299
Molecular FormulaC21H18ClF3N4O3
Molecular Weight466.85 g/mol
Exact Mass466.10
IUPAC Name7-[5-chloro-2-(1-fluoroethenyl)-3-morpholin-4-ylphenyl]-5-(2,2-difluoroethyl)-8-hydroxypyrido[2,3-b]pyrazin-6-one
SMILESC=C(F)c1c(-c2c(O)c3nccnc3n(CC(F)F)c2=O)cc(Cl)cc1N1CCOCC1
InChIInChI=1S/C21H18ClF3N4O3/c1-11(23)16-13(8-12(22)9-14(16)28-4-6-32-7-5-28)17-19(30)18-20(27-3-2-26-18)29(21(17)31)10-15(24)25/h2-3,8-9,15,30H,1,4-7,10H2
InChIKeyIKMUXBMJMZOVTJ-UHFFFAOYSA-N
XLogP3.86
TPSA80.48 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500466.85
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

7-[5-Chloro-3-morpholin-4-yl-2-(trifluoromethyl)phenyl]-5-(2,2-difluoroethyl)-8-hydroxypyrido[2,3-b]pyrazin-6-one
CID 87379890
3-[5-Chloro-3-morpholin-4-yl-2-(trifluoromethyl)phenyl]-1-(2,2-difluoroethyl)-4-hydroxy-1,5-naphthyridin-2-one
CID 87380038
3-[5-Chloro-3-morpholin-4-yl-2-(trifluoromethyl)phenyl]-1-(2,2-difluoroethyl)-2,2-dioxopyrazino[2,3-c]thiazin-4-ol
CID 87384757
3-[5-Chloro-2-(1-fluoroethenyl)-3-morpholin-4-ylphenyl]-1-(2,2-difluoroethyl)-4-hydroxy-1,5-naphthyridin-2-one
CID 88901375
3-[5-Chloro-2-(1-fluoroethenyl)-3-morpholin-4-ylphenyl]-1-(2,2-difluoroethyl)-2,2-dioxopyrazino[2,3-c]thiazin-4-ol
CID 88903877
7-[5-Chloro-3-morpholin-4-yl-2-(trifluoromethyl)phenyl]-5-(2-fluoropropyl)-8-hydroxypyrido[2,3-b]pyrazin-6-one
CID 123240165
3-[5-Chloro-3-morpholin-4-yl-2-(trifluoromethyl)phenyl]-1-(2-fluoropropyl)-4-hydroxy-1,5-naphthyridin-2-one
CID 123391344
5-(2,2-Difluoroethyl)-7-[3-(4,5-dihydro-1,3-oxazol-3-ium-3-yl)-2-(trifluoromethyl)phenyl]-8-hydroxypyrido[2,3-b]pyrazin-6-one
CID 123664732

Frequently Asked Questions

What is the IUPAC name of 7-[5-chloro-2-(1-fluoroethenyl)-3-morpholin-4-ylphenyl]-5-(2,2-difluoroethyl)-8-hydroxypyrido[2,3-b]pyrazin-6-one?
The IUPAC name of 7-[5-chloro-2-(1-fluoroethenyl)-3-morpholin-4-ylphenyl]-5-(2,2-difluoroethyl)-8-hydroxypyrido[2,3-b]pyrazin-6-one (CID 88901299) is 7-[5-chloro-2-(1-fluoroethenyl)-3-morpholin-4-ylphenyl]-5-(2,2-difluoroethyl)-8-hydroxypyrido[2,3-b]pyrazin-6-one.
What is the SMILES notation for 7-[5-chloro-2-(1-fluoroethenyl)-3-morpholin-4-ylphenyl]-5-(2,2-difluoroethyl)-8-hydroxypyrido[2,3-b]pyrazin-6-one?
The canonical SMILES for 7-[5-chloro-2-(1-fluoroethenyl)-3-morpholin-4-ylphenyl]-5-(2,2-difluoroethyl)-8-hydroxypyrido[2,3-b]pyrazin-6-one is C=C(F)c1c(-c2c(O)c3nccnc3n(CC(F)F)c2=O)cc(Cl)cc1N1CCOCC1.
What is the InChIKey of 7-[5-chloro-2-(1-fluoroethenyl)-3-morpholin-4-ylphenyl]-5-(2,2-difluoroethyl)-8-hydroxypyrido[2,3-b]pyrazin-6-one?
The InChIKey is IKMUXBMJMZOVTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18ClF3N4O3/c1-11(23)16-13(8-12(22)9-14(16)28-4-6-32-7-5-28)17-19(30)18-20(27-3-2-26-18)29(21(17)31)10-15(24)25/h2-3,8-9,15,30H,1,4-7,10H2.
What are the key properties of 7-[5-chloro-2-(1-fluoroethenyl)-3-morpholin-4-ylphenyl]-5-(2,2-difluoroethyl)-8-hydroxypyrido[2,3-b]pyrazin-6-one?
7-[5-chloro-2-(1-fluoroethenyl)-3-morpholin-4-ylphenyl]-5-(2,2-difluoroethyl)-8-hydroxypyrido[2,3-b]pyrazin-6-one has a molecular weight of 466.85 g/mol, XLogP of 3.86, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[5-chloro-2-(1-fluoroethenyl)-3-morpholin-4-ylphenyl]-5-(2,2-difluoroethyl)-8-hydroxypyrido[2,3-b]pyrazin-6-one is sourced from PubChem (CID 88901299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).