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

C20H16ClF5N4O3 — CID 87379890

IUPAC7-[5-chloro-3-morpholin-4-yl-2-(trifluoromethyl)phenyl]-5-(2,2-difluoroethyl)-8-hydroxypyrido[2,3-b]pyrazin-6-one
SMILESO=c1c(-c2cc(Cl)cc(N3CCOCC3)c2C(F)(F)F)c(O)c2nccnc2n1CC(F)F
InChIInChI=1S/C20H16ClF5N4O3/c21-10-7-11(15(20(24,25)26)12(8-10)29-3-5-33-6-4-29)14-17(31)16-18(28-2-1-27-16)30(19(14)32)9-13(22)23/h1-2,7-8,13,31H,3-6,9H2
InChIKeyQWUZMSDNZPMBOM-UHFFFAOYSA-N
MW490.82 g/mol
LogP3.94
Rot. Bonds4

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

7-[5-chloro-3-morpholin-4-yl-2-(trifluoromethyl)phenyl]-5-(2,2-difluoroethyl)-8-hydroxypyrido[2,3-b]pyrazin-6-one (PubChem CID 87379890) has the molecular formula C20H16ClF5N4O3 and a molecular weight of 490.82 g/mol. Its IUPAC name is 7-[5-chloro-3-morpholin-4-yl-2-(trifluoromethyl)phenyl]-5-(2,2-difluoroethyl)-8-hydroxypyrido[2,3-b]pyrazin-6-one.

Molecular Properties

Compound Name7-[5-chloro-3-morpholin-4-yl-2-(trifluoromethyl)phenyl]-5-(2,2-difluoroethyl)-8-hydroxypyrido[2,3-b]pyrazin-6-one
PubChem CID87379890
Molecular FormulaC20H16ClF5N4O3
Molecular Weight490.82 g/mol
Exact Mass490.08
IUPAC Name7-[5-chloro-3-morpholin-4-yl-2-(trifluoromethyl)phenyl]-5-(2,2-difluoroethyl)-8-hydroxypyrido[2,3-b]pyrazin-6-one
SMILESO=c1c(-c2cc(Cl)cc(N3CCOCC3)c2C(F)(F)F)c(O)c2nccnc2n1CC(F)F
InChIInChI=1S/C20H16ClF5N4O3/c21-10-7-11(15(20(24,25)26)12(8-10)29-3-5-33-6-4-29)14-17(31)16-18(28-2-1-27-16)30(19(14)32)9-13(22)23/h1-2,7-8,13,31H,3-6,9H2
InChIKeyQWUZMSDNZPMBOM-UHFFFAOYSA-N
XLogP3.94
TPSA80.48 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500490.82
LogP ≤ 53.94
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-(2,2-difluoroethyl)-8-hydroxypyrido[2,3-b]pyrazin-6-one?
The IUPAC name of 7-[5-chloro-3-morpholin-4-yl-2-(trifluoromethyl)phenyl]-5-(2,2-difluoroethyl)-8-hydroxypyrido[2,3-b]pyrazin-6-one (CID 87379890) is 7-[5-chloro-3-morpholin-4-yl-2-(trifluoromethyl)phenyl]-5-(2,2-difluoroethyl)-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-(2,2-difluoroethyl)-8-hydroxypyrido[2,3-b]pyrazin-6-one?
The canonical SMILES for 7-[5-chloro-3-morpholin-4-yl-2-(trifluoromethyl)phenyl]-5-(2,2-difluoroethyl)-8-hydroxypyrido[2,3-b]pyrazin-6-one is O=c1c(-c2cc(Cl)cc(N3CCOCC3)c2C(F)(F)F)c(O)c2nccnc2n1CC(F)F.
What is the InChIKey of 7-[5-chloro-3-morpholin-4-yl-2-(trifluoromethyl)phenyl]-5-(2,2-difluoroethyl)-8-hydroxypyrido[2,3-b]pyrazin-6-one?
The InChIKey is QWUZMSDNZPMBOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16ClF5N4O3/c21-10-7-11(15(20(24,25)26)12(8-10)29-3-5-33-6-4-29)14-17(31)16-18(28-2-1-27-16)30(19(14)32)9-13(22)23/h1-2,7-8,13,31H,3-6,9H2.
What are the key properties of 7-[5-chloro-3-morpholin-4-yl-2-(trifluoromethyl)phenyl]-5-(2,2-difluoroethyl)-8-hydroxypyrido[2,3-b]pyrazin-6-one?
7-[5-chloro-3-morpholin-4-yl-2-(trifluoromethyl)phenyl]-5-(2,2-difluoroethyl)-8-hydroxypyrido[2,3-b]pyrazin-6-one has a molecular weight of 490.82 g/mol, XLogP of 3.94, 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-(2,2-difluoroethyl)-8-hydroxypyrido[2,3-b]pyrazin-6-one is sourced from PubChem (CID 87379890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).