8-[2-chloro-4-(trifluoromethoxy)phenyl]-4-[(2R)-1-methoxybutan-2-yl]-2-methylpyrido[2,3-b]pyrazin-3-one

C20H19ClF3N3O3 — CID 11744040

IUPAC8-[2-chloro-4-(trifluoromethoxy)phenyl]-4-[(2R)-1-methoxybutan-2-yl]-2-methylpyrido[2,3-b]pyrazin-3-one
SMILESCC[C@H](COC)n1c(=O)c(C)nc2c(-c3ccc(OC(F)(F)F)cc3Cl)ccnc21
InChIInChI=1S/C20H19ClF3N3O3/c1-4-12(10-29-3)27-18-17(26-11(2)19(27)28)15(7-8-25-18)14-6-5-13(9-16(14)21)30-20(22,23)24/h5-9,12H,4,10H2,1-3H3/t12-/m1/s1
InChIKeyLMBHQTCJONCHOS-GFCCVEGCSA-N
MW441.84 g/mol
LogP4.92
Rot. Bonds6

About 8-[2-chloro-4-(trifluoromethoxy)phenyl]-4-[(2R)-1-methoxybutan-2-yl]-2-methylpyrido[2,3-b]pyrazin-3-one

8-[2-chloro-4-(trifluoromethoxy)phenyl]-4-[(2R)-1-methoxybutan-2-yl]-2-methylpyrido[2,3-b]pyrazin-3-one (PubChem CID 11744040) has the molecular formula C20H19ClF3N3O3 and a molecular weight of 441.84 g/mol. Its IUPAC name is 8-[2-chloro-4-(trifluoromethoxy)phenyl]-4-[(2R)-1-methoxybutan-2-yl]-2-methylpyrido[2,3-b]pyrazin-3-one.

Molecular Properties

Compound Name8-[2-chloro-4-(trifluoromethoxy)phenyl]-4-[(2R)-1-methoxybutan-2-yl]-2-methylpyrido[2,3-b]pyrazin-3-one
PubChem CID11744040
Molecular FormulaC20H19ClF3N3O3
Molecular Weight441.84 g/mol
Exact Mass441.11
IUPAC Name8-[2-chloro-4-(trifluoromethoxy)phenyl]-4-[(2R)-1-methoxybutan-2-yl]-2-methylpyrido[2,3-b]pyrazin-3-one
SMILESCC[C@H](COC)n1c(=O)c(C)nc2c(-c3ccc(OC(F)(F)F)cc3Cl)ccnc21
InChIInChI=1S/C20H19ClF3N3O3/c1-4-12(10-29-3)27-18-17(26-11(2)19(27)28)15(7-8-25-18)14-6-5-13(9-16(14)21)30-20(22,23)24/h5-9,12H,4,10H2,1-3H3/t12-/m1/s1
InChIKeyLMBHQTCJONCHOS-GFCCVEGCSA-N
XLogP4.92
TPSA66.24 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.84
LogP ≤ 54.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 8-[2-chloro-4-(trifluoromethoxy)phenyl]-4-[(2R)-1-methoxybutan-2-yl]-2-methylpyrido[2,3-b]pyrazin-3-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 8-[2-chloro-4-(trifluoromethoxy)phenyl]-4-[(2R)-1-methoxybutan-2-yl]-2-methylpyrido[2,3-b]pyrazin-3-one?
The IUPAC name of 8-[2-chloro-4-(trifluoromethoxy)phenyl]-4-[(2R)-1-methoxybutan-2-yl]-2-methylpyrido[2,3-b]pyrazin-3-one (CID 11744040) is 8-[2-chloro-4-(trifluoromethoxy)phenyl]-4-[(2R)-1-methoxybutan-2-yl]-2-methylpyrido[2,3-b]pyrazin-3-one.
What is the SMILES notation for 8-[2-chloro-4-(trifluoromethoxy)phenyl]-4-[(2R)-1-methoxybutan-2-yl]-2-methylpyrido[2,3-b]pyrazin-3-one?
The canonical SMILES for 8-[2-chloro-4-(trifluoromethoxy)phenyl]-4-[(2R)-1-methoxybutan-2-yl]-2-methylpyrido[2,3-b]pyrazin-3-one is CC[C@H](COC)n1c(=O)c(C)nc2c(-c3ccc(OC(F)(F)F)cc3Cl)ccnc21.
What is the InChIKey of 8-[2-chloro-4-(trifluoromethoxy)phenyl]-4-[(2R)-1-methoxybutan-2-yl]-2-methylpyrido[2,3-b]pyrazin-3-one?
The InChIKey is LMBHQTCJONCHOS-GFCCVEGCSA-N. The full InChI is InChI=1S/C20H19ClF3N3O3/c1-4-12(10-29-3)27-18-17(26-11(2)19(27)28)15(7-8-25-18)14-6-5-13(9-16(14)21)30-20(22,23)24/h5-9,12H,4,10H2,1-3H3/t12-/m1/s1.
What are the key properties of 8-[2-chloro-4-(trifluoromethoxy)phenyl]-4-[(2R)-1-methoxybutan-2-yl]-2-methylpyrido[2,3-b]pyrazin-3-one?
8-[2-chloro-4-(trifluoromethoxy)phenyl]-4-[(2R)-1-methoxybutan-2-yl]-2-methylpyrido[2,3-b]pyrazin-3-one has a molecular weight of 441.84 g/mol, XLogP of 4.92, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[2-chloro-4-(trifluoromethoxy)phenyl]-4-[(2R)-1-methoxybutan-2-yl]-2-methylpyrido[2,3-b]pyrazin-3-one is sourced from PubChem (CID 11744040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).