ethyl 4-[[6-methyl-7-[[3-(trifluoromethyl)phenyl]carbamoylamino]pyrido[2,3-b]pyrazin-3-yl]amino]benzoate

C25H21F3N6O3 — CID 142507185

IUPACethyl 4-[[6-methyl-7-[[3-(trifluoromethyl)phenyl]carbamoylamino]pyrido[2,3-b]pyrazin-3-yl]amino]benzoate
SMILESCCOC(=O)c1ccc(Nc2cnc3cc(NC(=O)Nc4cccc(C(F)(F)F)c4)c(C)nc3n2)cc1
InChIInChI=1S/C25H21F3N6O3/c1-3-37-23(35)15-7-9-17(10-8-15)31-21-13-29-20-12-19(14(2)30-22(20)34-21)33-24(36)32-18-6-4-5-16(11-18)25(26,27)28/h4-13H,3H2,1-2H3,(H,30,31,34)(H2,32,33,36)
InChIKeyIESFMJWYFUIFPJ-UHFFFAOYSA-N
MW510.48 g/mol
LogP5.92
Rot. Bonds6

About ethyl 4-[[6-methyl-7-[[3-(trifluoromethyl)phenyl]carbamoylamino]pyrido[2,3-b]pyrazin-3-yl]amino]benzoate

ethyl 4-[[6-methyl-7-[[3-(trifluoromethyl)phenyl]carbamoylamino]pyrido[2,3-b]pyrazin-3-yl]amino]benzoate (PubChem CID 142507185) has the molecular formula C25H21F3N6O3 and a molecular weight of 510.48 g/mol. Its IUPAC name is ethyl 4-[[6-methyl-7-[[3-(trifluoromethyl)phenyl]carbamoylamino]pyrido[2,3-b]pyrazin-3-yl]amino]benzoate.

Molecular Properties

Compound Nameethyl 4-[[6-methyl-7-[[3-(trifluoromethyl)phenyl]carbamoylamino]pyrido[2,3-b]pyrazin-3-yl]amino]benzoate
PubChem CID142507185
Molecular FormulaC25H21F3N6O3
Molecular Weight510.48 g/mol
Exact Mass510.16
IUPAC Nameethyl 4-[[6-methyl-7-[[3-(trifluoromethyl)phenyl]carbamoylamino]pyrido[2,3-b]pyrazin-3-yl]amino]benzoate
SMILESCCOC(=O)c1ccc(Nc2cnc3cc(NC(=O)Nc4cccc(C(F)(F)F)c4)c(C)nc3n2)cc1
InChIInChI=1S/C25H21F3N6O3/c1-3-37-23(35)15-7-9-17(10-8-15)31-21-13-29-20-12-19(14(2)30-22(20)34-21)33-24(36)32-18-6-4-5-16(11-18)25(26,27)28/h4-13H,3H2,1-2H3,(H,30,31,34)(H2,32,33,36)
InChIKeyIESFMJWYFUIFPJ-UHFFFAOYSA-N
XLogP5.92
TPSA118.13 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500510.48
LogP ≤ 55.92
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze ethyl 4-[[6-methyl-7-[[3-(trifluoromethyl)phenyl]carbamoylamino]pyrido[2,3-b]pyrazin-3-yl]amino]benzoate with MolForge

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Related Compounds

ethyl 4-[[7-[3-(4-fluoro-3-methylphenyl)-2-oxopropyl]-6-methylpyrido[2,3-b]pyrazin-3-yl]amino]benzoate
CID 159360645
ethyl 4-[[3-methyl-2-[[3-(trifluoromethyl)phenyl]carbamoylamino]pentanoyl]amino]benzoate
CID 42707289
ethyl 4-[[2-fluoro-5-(trifluoromethyl)phenyl]carbamoylamino]benzoate
CID 1298541
1-[4-[[2-(ethylamino)-6-methylpyrimidin-4-yl]amino]phenyl]-3-[3-(trifluoromethyl)phenyl]urea
CID 122325657
1-(3-ethoxyphenyl)-3-[3-(trifluoromethyl)phenyl]urea
CID 878376
ethyl 4-[(3-ethylphenyl)carbamoylamino]benzoate
CID 46859843
ethyl 4-[2-oxo-2-[3-(trifluoromethyl)anilino]ethoxy]-2-phenylquinoline-6-carboxylate
CID 46298787
1-[3-(trifluoromethyl)phenyl]-3-[2-(trifluoromethyl)-4-[[3-(trifluoromethyl)phenyl]carbamoylamino]phenyl]urea
CID 2305670
N-[2,5-diethoxy-4-[[3-(trifluoromethyl)phenyl]carbamoylamino]phenyl]benzamide
CID 5163768
ethyl 4-(quinolin-6-ylcarbamoylamino)benzoate
CID 165177435
methyl 1-methyl-4-[[3-(trifluoromethyl)phenyl]carbamoylamino]pyrazole-5-carboxylate
CID 19449798
ethyl 4-[[3-(3-methylanilino)-1,2,4-triazin-5-yl]amino]benzoate
CID 112962128

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[[6-methyl-7-[[3-(trifluoromethyl)phenyl]carbamoylamino]pyrido[2,3-b]pyrazin-3-yl]amino]benzoate?
The IUPAC name of ethyl 4-[[6-methyl-7-[[3-(trifluoromethyl)phenyl]carbamoylamino]pyrido[2,3-b]pyrazin-3-yl]amino]benzoate (CID 142507185) is ethyl 4-[[6-methyl-7-[[3-(trifluoromethyl)phenyl]carbamoylamino]pyrido[2,3-b]pyrazin-3-yl]amino]benzoate.
What is the SMILES notation for ethyl 4-[[6-methyl-7-[[3-(trifluoromethyl)phenyl]carbamoylamino]pyrido[2,3-b]pyrazin-3-yl]amino]benzoate?
The canonical SMILES for ethyl 4-[[6-methyl-7-[[3-(trifluoromethyl)phenyl]carbamoylamino]pyrido[2,3-b]pyrazin-3-yl]amino]benzoate is CCOC(=O)c1ccc(Nc2cnc3cc(NC(=O)Nc4cccc(C(F)(F)F)c4)c(C)nc3n2)cc1.
What is the InChIKey of ethyl 4-[[6-methyl-7-[[3-(trifluoromethyl)phenyl]carbamoylamino]pyrido[2,3-b]pyrazin-3-yl]amino]benzoate?
The InChIKey is IESFMJWYFUIFPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H21F3N6O3/c1-3-37-23(35)15-7-9-17(10-8-15)31-21-13-29-20-12-19(14(2)30-22(20)34-21)33-24(36)32-18-6-4-5-16(11-18)25(26,27)28/h4-13H,3H2,1-2H3,(H,30,31,34)(H2,32,33,36).
What are the key properties of ethyl 4-[[6-methyl-7-[[3-(trifluoromethyl)phenyl]carbamoylamino]pyrido[2,3-b]pyrazin-3-yl]amino]benzoate?
ethyl 4-[[6-methyl-7-[[3-(trifluoromethyl)phenyl]carbamoylamino]pyrido[2,3-b]pyrazin-3-yl]amino]benzoate has a molecular weight of 510.48 g/mol, XLogP of 5.92, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[[6-methyl-7-[[3-(trifluoromethyl)phenyl]carbamoylamino]pyrido[2,3-b]pyrazin-3-yl]amino]benzoate is sourced from PubChem (CID 142507185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).