4-[(2R)-butan-2-yl]-8-[2-chloro-4-(trifluoromethoxy)phenyl]-2-methylpyrido[2,3-b]pyrazin-3-one

C19H17ClF3N3O2 — CID 10001681

IUPAC4-[(2R)-butan-2-yl]-8-[2-chloro-4-(trifluoromethoxy)phenyl]-2-methylpyrido[2,3-b]pyrazin-3-one
SMILESCC[C@@H](C)n1c(=O)c(C)nc2c(-c3ccc(OC(F)(F)F)cc3Cl)ccnc21
InChIInChI=1S/C19H17ClF3N3O2/c1-4-10(2)26-17-16(25-11(3)18(26)27)14(7-8-24-17)13-6-5-12(9-15(13)20)28-19(21,22)23/h5-10H,4H2,1-3H3/t10-/m1/s1
InChIKeyGCEJXEOFOVDLEF-SNVBAGLBSA-N
MW411.81 g/mol
LogP5.29
Rot. Bonds4

About 4-[(2R)-butan-2-yl]-8-[2-chloro-4-(trifluoromethoxy)phenyl]-2-methylpyrido[2,3-b]pyrazin-3-one

4-[(2R)-butan-2-yl]-8-[2-chloro-4-(trifluoromethoxy)phenyl]-2-methylpyrido[2,3-b]pyrazin-3-one (PubChem CID 10001681) has the molecular formula C19H17ClF3N3O2 and a molecular weight of 411.81 g/mol. Its IUPAC name is 4-[(2R)-butan-2-yl]-8-[2-chloro-4-(trifluoromethoxy)phenyl]-2-methylpyrido[2,3-b]pyrazin-3-one.

Molecular Properties

Compound Name4-[(2R)-butan-2-yl]-8-[2-chloro-4-(trifluoromethoxy)phenyl]-2-methylpyrido[2,3-b]pyrazin-3-one
PubChem CID10001681
Molecular FormulaC19H17ClF3N3O2
Molecular Weight411.81 g/mol
Exact Mass411.10
IUPAC Name4-[(2R)-butan-2-yl]-8-[2-chloro-4-(trifluoromethoxy)phenyl]-2-methylpyrido[2,3-b]pyrazin-3-one
SMILESCC[C@@H](C)n1c(=O)c(C)nc2c(-c3ccc(OC(F)(F)F)cc3Cl)ccnc21
InChIInChI=1S/C19H17ClF3N3O2/c1-4-10(2)26-17-16(25-11(3)18(26)27)14(7-8-24-17)13-6-5-12(9-15(13)20)28-19(21,22)23/h5-10H,4H2,1-3H3/t10-/m1/s1
InChIKeyGCEJXEOFOVDLEF-SNVBAGLBSA-N
XLogP5.29
TPSA57.01 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500411.81
LogP ≤ 55.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[(2R)-butan-2-yl]-8-[2-chloro-4-(trifluoromethoxy)phenyl]-2-methylpyrido[2,3-b]pyrazin-3-one?
The IUPAC name of 4-[(2R)-butan-2-yl]-8-[2-chloro-4-(trifluoromethoxy)phenyl]-2-methylpyrido[2,3-b]pyrazin-3-one (CID 10001681) is 4-[(2R)-butan-2-yl]-8-[2-chloro-4-(trifluoromethoxy)phenyl]-2-methylpyrido[2,3-b]pyrazin-3-one.
What is the SMILES notation for 4-[(2R)-butan-2-yl]-8-[2-chloro-4-(trifluoromethoxy)phenyl]-2-methylpyrido[2,3-b]pyrazin-3-one?
The canonical SMILES for 4-[(2R)-butan-2-yl]-8-[2-chloro-4-(trifluoromethoxy)phenyl]-2-methylpyrido[2,3-b]pyrazin-3-one is CC[C@@H](C)n1c(=O)c(C)nc2c(-c3ccc(OC(F)(F)F)cc3Cl)ccnc21.
What is the InChIKey of 4-[(2R)-butan-2-yl]-8-[2-chloro-4-(trifluoromethoxy)phenyl]-2-methylpyrido[2,3-b]pyrazin-3-one?
The InChIKey is GCEJXEOFOVDLEF-SNVBAGLBSA-N. The full InChI is InChI=1S/C19H17ClF3N3O2/c1-4-10(2)26-17-16(25-11(3)18(26)27)14(7-8-24-17)13-6-5-12(9-15(13)20)28-19(21,22)23/h5-10H,4H2,1-3H3/t10-/m1/s1.
What are the key properties of 4-[(2R)-butan-2-yl]-8-[2-chloro-4-(trifluoromethoxy)phenyl]-2-methylpyrido[2,3-b]pyrazin-3-one?
4-[(2R)-butan-2-yl]-8-[2-chloro-4-(trifluoromethoxy)phenyl]-2-methylpyrido[2,3-b]pyrazin-3-one has a molecular weight of 411.81 g/mol, XLogP of 5.29, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2R)-butan-2-yl]-8-[2-chloro-4-(trifluoromethoxy)phenyl]-2-methylpyrido[2,3-b]pyrazin-3-one is sourced from PubChem (CID 10001681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).