ethyl 4-[[7-[3-(4-fluoro-3-methylphenyl)-2-oxopropyl]-6-methylpyrido[2,3-b]pyrazin-3-yl]amino]benzoate

C27H25FN4O3 — CID 159360645

IUPACethyl 4-[[7-[3-(4-fluoro-3-methylphenyl)-2-oxopropyl]-6-methylpyrido[2,3-b]pyrazin-3-yl]amino]benzoate
SMILESCCOC(=O)c1ccc(Nc2cnc3cc(CC(=O)Cc4ccc(F)c(C)c4)c(C)nc3n2)cc1
InChIInChI=1S/C27H25FN4O3/c1-4-35-27(34)19-6-8-21(9-7-19)31-25-15-29-24-14-20(17(3)30-26(24)32-25)13-22(33)12-18-5-10-23(28)16(2)11-18/h5-11,14-15H,4,12-13H2,1-3H3,(H,30,31,32)
InChIKeyLIMLYZFTCHOJBL-UHFFFAOYSA-N
MW472.52 g/mol
LogP5.06
Rot. Bonds8

About ethyl 4-[[7-[3-(4-fluoro-3-methylphenyl)-2-oxopropyl]-6-methylpyrido[2,3-b]pyrazin-3-yl]amino]benzoate

ethyl 4-[[7-[3-(4-fluoro-3-methylphenyl)-2-oxopropyl]-6-methylpyrido[2,3-b]pyrazin-3-yl]amino]benzoate (PubChem CID 159360645) has the molecular formula C27H25FN4O3 and a molecular weight of 472.52 g/mol. Its IUPAC name is ethyl 4-[[7-[3-(4-fluoro-3-methylphenyl)-2-oxopropyl]-6-methylpyrido[2,3-b]pyrazin-3-yl]amino]benzoate.

Molecular Properties

Compound Nameethyl 4-[[7-[3-(4-fluoro-3-methylphenyl)-2-oxopropyl]-6-methylpyrido[2,3-b]pyrazin-3-yl]amino]benzoate
PubChem CID159360645
Molecular FormulaC27H25FN4O3
Molecular Weight472.52 g/mol
Exact Mass472.19
IUPAC Nameethyl 4-[[7-[3-(4-fluoro-3-methylphenyl)-2-oxopropyl]-6-methylpyrido[2,3-b]pyrazin-3-yl]amino]benzoate
SMILESCCOC(=O)c1ccc(Nc2cnc3cc(CC(=O)Cc4ccc(F)c(C)c4)c(C)nc3n2)cc1
InChIInChI=1S/C27H25FN4O3/c1-4-35-27(34)19-6-8-21(9-7-19)31-25-15-29-24-14-20(17(3)30-26(24)32-25)13-22(33)12-18-5-10-23(28)16(2)11-18/h5-11,14-15H,4,12-13H2,1-3H3,(H,30,31,32)
InChIKeyLIMLYZFTCHOJBL-UHFFFAOYSA-N
XLogP5.06
TPSA94.07 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500472.52
LogP ≤ 55.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze ethyl 4-[[7-[3-(4-fluoro-3-methylphenyl)-2-oxopropyl]-6-methylpyrido[2,3-b]pyrazin-3-yl]amino]benzoate with MolForge

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

Launch Full Analysis

Related Compounds

ethyl 4-[[6-methyl-7-[[3-(trifluoromethyl)phenyl]carbamoylamino]pyrido[2,3-b]pyrazin-3-yl]amino]benzoate
CID 142507185
CID 160520769
CID 160520769
ethyl 4-[(5-amino-4-methyl-2-pyridinyl)amino]benzoate
CID 82061056
ethyl 4-[[2-(3-chloro-4-fluoroanilino)pyrimidin-4-yl]amino]benzoate
CID 112904186
ethyl 4-[[2-(4-ethylanilino)pyrimidin-4-yl]amino]benzoate
CID 112902880
ethyl 4-[(4,5,7-trimethylquinolin-2-yl)amino]benzoate
CID 800909
ethyl 4-[[6-[(3,4-difluorobenzoyl)amino]pyridazin-3-yl]amino]benzoate
CID 113050458
ethyl 4-[[3-(3,4-dimethylanilino)-1,2,4-triazin-5-yl]amino]benzoate
CID 112963450
ethyl 4-[[5-[(4-ethylphenyl)carbamoyl]pyrazin-2-yl]amino]benzoate
CID 109291635
ethyl 4-(2,5-difluoroanilino)benzoate
CID 82535791
ethyl 4-[(4,5,7-trimethylquinolin-2-yl)amino]benzoate;hydrochloride
CID 2919775
ethyl 4-[[6-(methylamino)pyrimidin-4-yl]amino]benzoate
CID 122281743

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[[7-[3-(4-fluoro-3-methylphenyl)-2-oxopropyl]-6-methylpyrido[2,3-b]pyrazin-3-yl]amino]benzoate?
The IUPAC name of ethyl 4-[[7-[3-(4-fluoro-3-methylphenyl)-2-oxopropyl]-6-methylpyrido[2,3-b]pyrazin-3-yl]amino]benzoate (CID 159360645) is ethyl 4-[[7-[3-(4-fluoro-3-methylphenyl)-2-oxopropyl]-6-methylpyrido[2,3-b]pyrazin-3-yl]amino]benzoate.
What is the SMILES notation for ethyl 4-[[7-[3-(4-fluoro-3-methylphenyl)-2-oxopropyl]-6-methylpyrido[2,3-b]pyrazin-3-yl]amino]benzoate?
The canonical SMILES for ethyl 4-[[7-[3-(4-fluoro-3-methylphenyl)-2-oxopropyl]-6-methylpyrido[2,3-b]pyrazin-3-yl]amino]benzoate is CCOC(=O)c1ccc(Nc2cnc3cc(CC(=O)Cc4ccc(F)c(C)c4)c(C)nc3n2)cc1.
What is the InChIKey of ethyl 4-[[7-[3-(4-fluoro-3-methylphenyl)-2-oxopropyl]-6-methylpyrido[2,3-b]pyrazin-3-yl]amino]benzoate?
The InChIKey is LIMLYZFTCHOJBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H25FN4O3/c1-4-35-27(34)19-6-8-21(9-7-19)31-25-15-29-24-14-20(17(3)30-26(24)32-25)13-22(33)12-18-5-10-23(28)16(2)11-18/h5-11,14-15H,4,12-13H2,1-3H3,(H,30,31,32).
What are the key properties of ethyl 4-[[7-[3-(4-fluoro-3-methylphenyl)-2-oxopropyl]-6-methylpyrido[2,3-b]pyrazin-3-yl]amino]benzoate?
ethyl 4-[[7-[3-(4-fluoro-3-methylphenyl)-2-oxopropyl]-6-methylpyrido[2,3-b]pyrazin-3-yl]amino]benzoate has a molecular weight of 472.52 g/mol, XLogP of 5.06, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[[7-[3-(4-fluoro-3-methylphenyl)-2-oxopropyl]-6-methylpyrido[2,3-b]pyrazin-3-yl]amino]benzoate is sourced from PubChem (CID 159360645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).