ethyl 4-[[4-(4-methyl-3-oxopyrido[2,3-b]pyrazin-2-yl)piperazine-1-carbonyl]amino]benzoate

C22H24N6O4 — CID 86809385

IUPACethyl 4-[[4-(4-methyl-3-oxopyrido[2,3-b]pyrazin-2-yl)piperazine-1-carbonyl]amino]benzoate
SMILESCCOC(=O)c1ccc(NC(=O)N2CCN(c3nc4cccnc4n(C)c3=O)CC2)cc1
InChIInChI=1S/C22H24N6O4/c1-3-32-21(30)15-6-8-16(9-7-15)24-22(31)28-13-11-27(12-14-28)19-20(29)26(2)18-17(25-19)5-4-10-23-18/h4-10H,3,11-14H2,1-2H3,(H,24,31)
InChIKeyAECFRQPCAYMUEX-UHFFFAOYSA-N
MW436.47 g/mol
LogP1.86
Rot. Bonds4

About ethyl 4-[[4-(4-methyl-3-oxopyrido[2,3-b]pyrazin-2-yl)piperazine-1-carbonyl]amino]benzoate

ethyl 4-[[4-(4-methyl-3-oxopyrido[2,3-b]pyrazin-2-yl)piperazine-1-carbonyl]amino]benzoate (PubChem CID 86809385) has the molecular formula C22H24N6O4 and a molecular weight of 436.47 g/mol. Its IUPAC name is ethyl 4-[[4-(4-methyl-3-oxopyrido[2,3-b]pyrazin-2-yl)piperazine-1-carbonyl]amino]benzoate.

Molecular Properties

Compound Nameethyl 4-[[4-(4-methyl-3-oxopyrido[2,3-b]pyrazin-2-yl)piperazine-1-carbonyl]amino]benzoate
PubChem CID86809385
Molecular FormulaC22H24N6O4
Molecular Weight436.47 g/mol
Exact Mass436.19
IUPAC Nameethyl 4-[[4-(4-methyl-3-oxopyrido[2,3-b]pyrazin-2-yl)piperazine-1-carbonyl]amino]benzoate
SMILESCCOC(=O)c1ccc(NC(=O)N2CCN(c3nc4cccnc4n(C)c3=O)CC2)cc1
InChIInChI=1S/C22H24N6O4/c1-3-32-21(30)15-6-8-16(9-7-15)24-22(31)28-13-11-27(12-14-28)19-20(29)26(2)18-17(25-19)5-4-10-23-18/h4-10H,3,11-14H2,1-2H3,(H,24,31)
InChIKeyAECFRQPCAYMUEX-UHFFFAOYSA-N
XLogP1.86
TPSA109.66 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.47
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze ethyl 4-[[4-(4-methyl-3-oxopyrido[2,3-b]pyrazin-2-yl)piperazine-1-carbonyl]amino]benzoate with MolForge

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Related Compounds

N-(4-ethylphenyl)-4-(4-methyl-3-oxopyrido[2,3-b]pyrazin-2-yl)piperazine-1-carboxamide
CID 83274086
N-(3,5-dimethoxyphenyl)-4-(4-methyl-3-oxopyrido[2,3-b]pyrazin-2-yl)piperazine-1-carboxamide
CID 83274079
N-(3-chlorophenyl)-4-(4-methyl-3-oxopyrido[2,3-b]pyrazin-2-yl)piperazine-1-carboxamide
CID 53019972
ethyl 4-(3-methylimidazo[4,5-b]pyridin-2-yl)benzoate
CID 170985522
ethyl 4-[[(3R)-3-(2-ethylimidazo[4,5-b]pyridin-3-yl)pyrrolidine-1-carbonyl]amino]benzoate
CID 95108453
4-(4-ethyl-3-oxopyrido[2,3-b]pyrazin-2-yl)-N-(3-fluoro-4-methylphenyl)piperazine-1-carboxamide
CID 83277226
ethyl 4-[[4-(2-chlorophenyl)piperazine-1-carbonyl]amino]benzoate
CID 1245050
ethyl 4-[[2-oxo-2-(4-pyrimidin-2-ylpiperazin-1-yl)acetyl]amino]benzoate
CID 108500168
ethyl 4-[4-[(4-fluorophenyl)carbamoyl]piperazin-1-yl]benzoate
CID 113112811
N-(3-chlorophenyl)-4-(4-ethyl-3-oxopyrido[2,3-b]pyrazin-2-yl)piperazine-1-carboxamide
CID 83273543
4-methyl-2-[4-(2-methylpentanoyl)piperazin-1-yl]pyrido[2,3-b]pyrazin-3-one
CID 53021494
ethyl 4-[[4-(3,5-dichloro-4-pyridinyl)piperazine-1-carbonyl]amino]benzoate
CID 3363290

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[[4-(4-methyl-3-oxopyrido[2,3-b]pyrazin-2-yl)piperazine-1-carbonyl]amino]benzoate?
The IUPAC name of ethyl 4-[[4-(4-methyl-3-oxopyrido[2,3-b]pyrazin-2-yl)piperazine-1-carbonyl]amino]benzoate (CID 86809385) is ethyl 4-[[4-(4-methyl-3-oxopyrido[2,3-b]pyrazin-2-yl)piperazine-1-carbonyl]amino]benzoate.
What is the SMILES notation for ethyl 4-[[4-(4-methyl-3-oxopyrido[2,3-b]pyrazin-2-yl)piperazine-1-carbonyl]amino]benzoate?
The canonical SMILES for ethyl 4-[[4-(4-methyl-3-oxopyrido[2,3-b]pyrazin-2-yl)piperazine-1-carbonyl]amino]benzoate is CCOC(=O)c1ccc(NC(=O)N2CCN(c3nc4cccnc4n(C)c3=O)CC2)cc1.
What is the InChIKey of ethyl 4-[[4-(4-methyl-3-oxopyrido[2,3-b]pyrazin-2-yl)piperazine-1-carbonyl]amino]benzoate?
The InChIKey is AECFRQPCAYMUEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N6O4/c1-3-32-21(30)15-6-8-16(9-7-15)24-22(31)28-13-11-27(12-14-28)19-20(29)26(2)18-17(25-19)5-4-10-23-18/h4-10H,3,11-14H2,1-2H3,(H,24,31).
What are the key properties of ethyl 4-[[4-(4-methyl-3-oxopyrido[2,3-b]pyrazin-2-yl)piperazine-1-carbonyl]amino]benzoate?
ethyl 4-[[4-(4-methyl-3-oxopyrido[2,3-b]pyrazin-2-yl)piperazine-1-carbonyl]amino]benzoate has a molecular weight of 436.47 g/mol, XLogP of 1.86, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[[4-(4-methyl-3-oxopyrido[2,3-b]pyrazin-2-yl)piperazine-1-carbonyl]amino]benzoate is sourced from PubChem (CID 86809385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).