5-chloro-6-(2,6-difluorophenyl)-3-(1-methylimidazol-4-yl)-1-(2-methylpropyl)pyrazin-2-one

C18H17ClF2N4O — CID 57432949

IUPAC5-chloro-6-(2,6-difluorophenyl)-3-(1-methylimidazol-4-yl)-1-(2-methylpropyl)pyrazin-2-one
SMILESCC(C)Cn1c(-c2c(F)cccc2F)c(Cl)nc(-c2cn(C)cn2)c1=O
InChIInChI=1S/C18H17ClF2N4O/c1-10(2)7-25-16(14-11(20)5-4-6-12(14)21)17(19)23-15(18(25)26)13-8-24(3)9-22-13/h4-6,8-10H,7H2,1-3H3
InChIKeyZDAADPOBFAJHFO-UHFFFAOYSA-N
MW378.81 g/mol
LogP3.90
Rot. Bonds4

About 5-chloro-6-(2,6-difluorophenyl)-3-(1-methylimidazol-4-yl)-1-(2-methylpropyl)pyrazin-2-one

5-chloro-6-(2,6-difluorophenyl)-3-(1-methylimidazol-4-yl)-1-(2-methylpropyl)pyrazin-2-one (PubChem CID 57432949) has the molecular formula C18H17ClF2N4O and a molecular weight of 378.81 g/mol. Its IUPAC name is 5-chloro-6-(2,6-difluorophenyl)-3-(1-methylimidazol-4-yl)-1-(2-methylpropyl)pyrazin-2-one.

Molecular Properties

Compound Name5-chloro-6-(2,6-difluorophenyl)-3-(1-methylimidazol-4-yl)-1-(2-methylpropyl)pyrazin-2-one
PubChem CID57432949
Molecular FormulaC18H17ClF2N4O
Molecular Weight378.81 g/mol
Exact Mass378.11
IUPAC Name5-chloro-6-(2,6-difluorophenyl)-3-(1-methylimidazol-4-yl)-1-(2-methylpropyl)pyrazin-2-one
SMILESCC(C)Cn1c(-c2c(F)cccc2F)c(Cl)nc(-c2cn(C)cn2)c1=O
InChIInChI=1S/C18H17ClF2N4O/c1-10(2)7-25-16(14-11(20)5-4-6-12(14)21)17(19)23-15(18(25)26)13-8-24(3)9-22-13/h4-6,8-10H,7H2,1-3H3
InChIKeyZDAADPOBFAJHFO-UHFFFAOYSA-N
XLogP3.90
TPSA52.71 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.81
LogP ≤ 53.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-6-(2,6-difluorophenyl)-3-(1-methylimidazol-4-yl)-1-(2-methylpropyl)pyrazin-2-one?
The IUPAC name of 5-chloro-6-(2,6-difluorophenyl)-3-(1-methylimidazol-4-yl)-1-(2-methylpropyl)pyrazin-2-one (CID 57432949) is 5-chloro-6-(2,6-difluorophenyl)-3-(1-methylimidazol-4-yl)-1-(2-methylpropyl)pyrazin-2-one.
What is the SMILES notation for 5-chloro-6-(2,6-difluorophenyl)-3-(1-methylimidazol-4-yl)-1-(2-methylpropyl)pyrazin-2-one?
The canonical SMILES for 5-chloro-6-(2,6-difluorophenyl)-3-(1-methylimidazol-4-yl)-1-(2-methylpropyl)pyrazin-2-one is CC(C)Cn1c(-c2c(F)cccc2F)c(Cl)nc(-c2cn(C)cn2)c1=O.
What is the InChIKey of 5-chloro-6-(2,6-difluorophenyl)-3-(1-methylimidazol-4-yl)-1-(2-methylpropyl)pyrazin-2-one?
The InChIKey is ZDAADPOBFAJHFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17ClF2N4O/c1-10(2)7-25-16(14-11(20)5-4-6-12(14)21)17(19)23-15(18(25)26)13-8-24(3)9-22-13/h4-6,8-10H,7H2,1-3H3.
What are the key properties of 5-chloro-6-(2,6-difluorophenyl)-3-(1-methylimidazol-4-yl)-1-(2-methylpropyl)pyrazin-2-one?
5-chloro-6-(2,6-difluorophenyl)-3-(1-methylimidazol-4-yl)-1-(2-methylpropyl)pyrazin-2-one has a molecular weight of 378.81 g/mol, XLogP of 3.90, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-6-(2,6-difluorophenyl)-3-(1-methylimidazol-4-yl)-1-(2-methylpropyl)pyrazin-2-one is sourced from PubChem (CID 57432949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).