8-[2-chloro-4-(trifluoromethyl)phenyl]-4-[(1S)-1-cyclopropylpropyl]-2-methylpyrido[2,3-b]pyrazin-3-one

C21H19ClF3N3O — CID 10454889

IUPAC8-[2-chloro-4-(trifluoromethyl)phenyl]-4-[(1S)-1-cyclopropylpropyl]-2-methylpyrido[2,3-b]pyrazin-3-one
SMILESCC[C@@H](C1CC1)n1c(=O)c(C)nc2c(-c3ccc(C(F)(F)F)cc3Cl)ccnc21
InChIInChI=1S/C21H19ClF3N3O/c1-3-17(12-4-5-12)28-19-18(27-11(2)20(28)29)15(8-9-26-19)14-7-6-13(10-16(14)22)21(23,24)25/h6-10,12,17H,3-5H2,1-2H3/t17-/m0/s1
InChIKeyPIPKFMZTGLLJSZ-KRWDZBQOSA-N
MW421.85 g/mol
LogP5.80
Rot. Bonds4

About 8-[2-chloro-4-(trifluoromethyl)phenyl]-4-[(1S)-1-cyclopropylpropyl]-2-methylpyrido[2,3-b]pyrazin-3-one

8-[2-chloro-4-(trifluoromethyl)phenyl]-4-[(1S)-1-cyclopropylpropyl]-2-methylpyrido[2,3-b]pyrazin-3-one (PubChem CID 10454889) has the molecular formula C21H19ClF3N3O and a molecular weight of 421.85 g/mol. Its IUPAC name is 8-[2-chloro-4-(trifluoromethyl)phenyl]-4-[(1S)-1-cyclopropylpropyl]-2-methylpyrido[2,3-b]pyrazin-3-one.

Molecular Properties

Compound Name8-[2-chloro-4-(trifluoromethyl)phenyl]-4-[(1S)-1-cyclopropylpropyl]-2-methylpyrido[2,3-b]pyrazin-3-one
PubChem CID10454889
Molecular FormulaC21H19ClF3N3O
Molecular Weight421.85 g/mol
Exact Mass421.12
IUPAC Name8-[2-chloro-4-(trifluoromethyl)phenyl]-4-[(1S)-1-cyclopropylpropyl]-2-methylpyrido[2,3-b]pyrazin-3-one
SMILESCC[C@@H](C1CC1)n1c(=O)c(C)nc2c(-c3ccc(C(F)(F)F)cc3Cl)ccnc21
InChIInChI=1S/C21H19ClF3N3O/c1-3-17(12-4-5-12)28-19-18(27-11(2)20(28)29)15(8-9-26-19)14-7-6-13(10-16(14)22)21(23,24)25/h6-10,12,17H,3-5H2,1-2H3/t17-/m0/s1
InChIKeyPIPKFMZTGLLJSZ-KRWDZBQOSA-N
XLogP5.80
TPSA47.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500421.85
LogP ≤ 55.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

8-[2-Chloro-4-(dimethylamino)-5-fluorophenyl]-4-(1-cyclopropylpropyl)-2-methylpyrido[2,3-b]pyrazin-3-one
CID 9979210
N-(1-(6-(3-chloropyridin-4-yl)-5-(4-(trifluoromethyl)phenyl)pyrazin-2-yl)piperidin-4-yl)isobutyramide
CID 24857903
8-(2,4-dichlorophenyl)-4-[(2R)-1-methoxybutan-2-yl]-2-methylpyrido[2,3-b]pyrazin-3-one
CID 9977800
4-[(1S)-1-cyclopropylpropyl]-8-(2,4-dichlorophenyl)-2-methylpyrido[2,3-b]pyrazin-3-one
CID 10249650
8-(2,4-dichlorophenyl)-4-[(2S)-1-methoxybutan-2-yl]-2-methylpyrido[2,3-b]pyrazin-3-one
CID 10363079
4-[(1R)-1-cyclopropylpropyl]-8-(2,4-dichlorophenyl)-2-methylpyrido[2,3-b]pyrazin-3-one
CID 10407938
8-(2,4-dichloro-phenyl)-4-(2-methoxy-1-methyl-ethyl)-2-methyl-4H-pyrido[2,3-b]pyrazin-3-one
CID 22052069
4-(1-Cyclopropylbutyl)-8-(2,4-dichlorophenyl)-2-methylpyrido[2,3-b]pyrazin-3-one
CID 22052073
8-(2,4-Dichlorophenyl)-2-methyl-4-(3-methylbutan-2-yl)pyrido[2,3-b]pyrazin-3-one
CID 22052143
8-(2,4-Dichlorophenyl)-2-methyl-4-pentan-2-ylpyrido[2,3-b]pyrazin-3-one
CID 22052205
N-(2-((4-(2-chlorophenyl)-4-cyanocyclohexyl)methylamino)pyridin-3-yl)-3,3,3-trifluoropropanamide
CID 44430692
4-Chloro-5-[4-(1-cyclopropylpropyl)-2-methyl-3-oxopyrido[2,3-b]pyrazin-8-yl]-2-methylbenzonitrile
CID 70682138

Frequently Asked Questions

What is the IUPAC name of 8-[2-chloro-4-(trifluoromethyl)phenyl]-4-[(1S)-1-cyclopropylpropyl]-2-methylpyrido[2,3-b]pyrazin-3-one?
The IUPAC name of 8-[2-chloro-4-(trifluoromethyl)phenyl]-4-[(1S)-1-cyclopropylpropyl]-2-methylpyrido[2,3-b]pyrazin-3-one (CID 10454889) is 8-[2-chloro-4-(trifluoromethyl)phenyl]-4-[(1S)-1-cyclopropylpropyl]-2-methylpyrido[2,3-b]pyrazin-3-one.
What is the SMILES notation for 8-[2-chloro-4-(trifluoromethyl)phenyl]-4-[(1S)-1-cyclopropylpropyl]-2-methylpyrido[2,3-b]pyrazin-3-one?
The canonical SMILES for 8-[2-chloro-4-(trifluoromethyl)phenyl]-4-[(1S)-1-cyclopropylpropyl]-2-methylpyrido[2,3-b]pyrazin-3-one is CC[C@@H](C1CC1)n1c(=O)c(C)nc2c(-c3ccc(C(F)(F)F)cc3Cl)ccnc21.
What is the InChIKey of 8-[2-chloro-4-(trifluoromethyl)phenyl]-4-[(1S)-1-cyclopropylpropyl]-2-methylpyrido[2,3-b]pyrazin-3-one?
The InChIKey is PIPKFMZTGLLJSZ-KRWDZBQOSA-N. The full InChI is InChI=1S/C21H19ClF3N3O/c1-3-17(12-4-5-12)28-19-18(27-11(2)20(28)29)15(8-9-26-19)14-7-6-13(10-16(14)22)21(23,24)25/h6-10,12,17H,3-5H2,1-2H3/t17-/m0/s1.
What are the key properties of 8-[2-chloro-4-(trifluoromethyl)phenyl]-4-[(1S)-1-cyclopropylpropyl]-2-methylpyrido[2,3-b]pyrazin-3-one?
8-[2-chloro-4-(trifluoromethyl)phenyl]-4-[(1S)-1-cyclopropylpropyl]-2-methylpyrido[2,3-b]pyrazin-3-one has a molecular weight of 421.85 g/mol, XLogP of 5.80, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[2-chloro-4-(trifluoromethyl)phenyl]-4-[(1S)-1-cyclopropylpropyl]-2-methylpyrido[2,3-b]pyrazin-3-one is sourced from PubChem (CID 10454889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).