4-[[2,6-difluoro-4-[3-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]quinoxalin-5-yl]phenyl]methyl]morpholine

C28H30F2N6O — CID 167418484

IUPAC4-[[2,6-difluoro-4-[3-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]quinoxalin-5-yl]phenyl]methyl]morpholine
SMILESCN1CCC(n2cc(-c3cnc4cccc(-c5cc(F)c(CN6CCOCC6)c(F)c5)c4n3)cn2)CC1
InChIInChI=1S/C28H30F2N6O/c1-34-7-5-21(6-8-34)36-17-20(15-32-36)27-16-31-26-4-2-3-22(28(26)33-27)19-13-24(29)23(25(30)14-19)18-35-9-11-37-12-10-35/h2-4,13-17,21H,5-12,18H2,1H3
InChIKeySPTKWAHYADXMDJ-UHFFFAOYSA-N
MW504.59 g/mol
LogP4.54
Rot. Bonds5

About 4-[[2,6-difluoro-4-[3-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]quinoxalin-5-yl]phenyl]methyl]morpholine

4-[[2,6-difluoro-4-[3-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]quinoxalin-5-yl]phenyl]methyl]morpholine (PubChem CID 167418484) has the molecular formula C28H30F2N6O and a molecular weight of 504.59 g/mol. Its IUPAC name is 4-[[2,6-difluoro-4-[3-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]quinoxalin-5-yl]phenyl]methyl]morpholine.

Molecular Properties

Compound Name4-[[2,6-difluoro-4-[3-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]quinoxalin-5-yl]phenyl]methyl]morpholine
PubChem CID167418484
Molecular FormulaC28H30F2N6O
Molecular Weight504.59 g/mol
Exact Mass504.24
IUPAC Name4-[[2,6-difluoro-4-[3-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]quinoxalin-5-yl]phenyl]methyl]morpholine
SMILESCN1CCC(n2cc(-c3cnc4cccc(-c5cc(F)c(CN6CCOCC6)c(F)c5)c4n3)cn2)CC1
InChIInChI=1S/C28H30F2N6O/c1-34-7-5-21(6-8-34)36-17-20(15-32-36)27-16-31-26-4-2-3-22(28(26)33-27)19-13-24(29)23(25(30)14-19)18-35-9-11-37-12-10-35/h2-4,13-17,21H,5-12,18H2,1H3
InChIKeySPTKWAHYADXMDJ-UHFFFAOYSA-N
XLogP4.54
TPSA59.31 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500504.59
LogP ≤ 54.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 4-[[2,6-difluoro-4-[3-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]quinoxalin-5-yl]phenyl]methyl]morpholine 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 4-[[2,6-difluoro-4-[3-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]quinoxalin-5-yl]phenyl]methyl]morpholine?
The IUPAC name of 4-[[2,6-difluoro-4-[3-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]quinoxalin-5-yl]phenyl]methyl]morpholine (CID 167418484) is 4-[[2,6-difluoro-4-[3-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]quinoxalin-5-yl]phenyl]methyl]morpholine.
What is the SMILES notation for 4-[[2,6-difluoro-4-[3-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]quinoxalin-5-yl]phenyl]methyl]morpholine?
The canonical SMILES for 4-[[2,6-difluoro-4-[3-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]quinoxalin-5-yl]phenyl]methyl]morpholine is CN1CCC(n2cc(-c3cnc4cccc(-c5cc(F)c(CN6CCOCC6)c(F)c5)c4n3)cn2)CC1.
What is the InChIKey of 4-[[2,6-difluoro-4-[3-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]quinoxalin-5-yl]phenyl]methyl]morpholine?
The InChIKey is SPTKWAHYADXMDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H30F2N6O/c1-34-7-5-21(6-8-34)36-17-20(15-32-36)27-16-31-26-4-2-3-22(28(26)33-27)19-13-24(29)23(25(30)14-19)18-35-9-11-37-12-10-35/h2-4,13-17,21H,5-12,18H2,1H3.
What are the key properties of 4-[[2,6-difluoro-4-[3-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]quinoxalin-5-yl]phenyl]methyl]morpholine?
4-[[2,6-difluoro-4-[3-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]quinoxalin-5-yl]phenyl]methyl]morpholine has a molecular weight of 504.59 g/mol, XLogP of 4.54, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2,6-difluoro-4-[3-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]quinoxalin-5-yl]phenyl]methyl]morpholine is sourced from PubChem (CID 167418484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).