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

C25H30N6O4 — CID 95053127

IUPACethyl (3R)-3-[[4-(4-ethyl-3-oxopyrido[2,3-b]pyrazin-2-yl)piperazine-1-carbonyl]amino]-3-phenylpropanoate
SMILESCCOC(=O)C[C@@H](NC(=O)N1CCN(c2nc3cccnc3n(CC)c2=O)CC1)c1ccccc1
InChIInChI=1S/C25H30N6O4/c1-3-31-22-19(11-8-12-26-22)27-23(24(31)33)29-13-15-30(16-14-29)25(34)28-20(17-21(32)35-4-2)18-9-6-5-7-10-18/h5-12,20H,3-4,13-17H2,1-2H3,(H,28,34)/t20-/m1/s1
InChIKeyJUWLCEXMORROLV-HXUWFJFHSA-N
MW478.55 g/mol
LogP2.34
Rot. Bonds7

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

ethyl (3R)-3-[[4-(4-ethyl-3-oxopyrido[2,3-b]pyrazin-2-yl)piperazine-1-carbonyl]amino]-3-phenylpropanoate (PubChem CID 95053127) has the molecular formula C25H30N6O4 and a molecular weight of 478.55 g/mol. Its IUPAC name is ethyl (3R)-3-[[4-(4-ethyl-3-oxopyrido[2,3-b]pyrazin-2-yl)piperazine-1-carbonyl]amino]-3-phenylpropanoate.

Molecular Properties

Compound Nameethyl (3R)-3-[[4-(4-ethyl-3-oxopyrido[2,3-b]pyrazin-2-yl)piperazine-1-carbonyl]amino]-3-phenylpropanoate
PubChem CID95053127
Molecular FormulaC25H30N6O4
Molecular Weight478.55 g/mol
Exact Mass478.23
IUPAC Nameethyl (3R)-3-[[4-(4-ethyl-3-oxopyrido[2,3-b]pyrazin-2-yl)piperazine-1-carbonyl]amino]-3-phenylpropanoate
SMILESCCOC(=O)C[C@@H](NC(=O)N1CCN(c2nc3cccnc3n(CC)c2=O)CC1)c1ccccc1
InChIInChI=1S/C25H30N6O4/c1-3-31-22-19(11-8-12-26-22)27-23(24(31)33)29-13-15-30(16-14-29)25(34)28-20(17-21(32)35-4-2)18-9-6-5-7-10-18/h5-12,20H,3-4,13-17H2,1-2H3,(H,28,34)/t20-/m1/s1
InChIKeyJUWLCEXMORROLV-HXUWFJFHSA-N
XLogP2.34
TPSA109.66 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500478.55
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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

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Launch Full Analysis

Related Compounds

ethyl (3S)-3-[[4-(1-ethylbenzimidazol-2-yl)piperazine-1-carbonyl]amino]-3-phenylpropanoate
CID 92879177
ethyl (3S)-3-phenyl-3-[[4-([1,3]thiazolo[5,4-b]pyridin-2-yl)piperazine-1-carbonyl]amino]propanoate
CID 95073065
ethyl (3R)-3-[[4-(1-methylbenzimidazol-2-yl)piperazine-1-carbonyl]amino]-3-phenylpropanoate
CID 92879184
4-ethyl-2-(4-propanoylpiperazin-1-yl)pyrido[2,3-b]pyrazin-3-one
CID 87050114
methyl (2S)-2-[[4-(4-benzyl-3-oxopyrido[2,3-b]pyrazin-2-yl)piperazine-1-carbonyl]amino]propanoate
CID 95053124
N-(2-chlorophenyl)-4-(4-ethyl-3-oxopyrido[2,3-b]pyrazin-2-yl)piperazine-1-carboxamide
CID 53019941
N-(2,5-dimethoxyphenyl)-4-(4-ethyl-3-oxopyrido[2,3-b]pyrazin-2-yl)piperazine-1-carboxamide
CID 83273552
methyl 2-[[4-(4-ethyl-3-oxopyrido[2,3-b]pyrazin-2-yl)piperazine-1-carbonyl]amino]-4-methylbenzoate
CID 53019970
4-(4-ethyl-3-oxopyrido[2,3-b]pyrazin-2-yl)-N-(3-fluoro-4-methylphenyl)piperazine-1-carboxamide
CID 83277226
N-(3-chlorophenyl)-4-(4-ethyl-3-oxopyrido[2,3-b]pyrazin-2-yl)piperazine-1-carboxamide
CID 83273543
4-benzyl-2-(4-propanoylpiperazin-1-yl)pyrido[2,3-b]pyrazin-3-one
CID 83273218
ethyl 4-[[4-(4-methyl-3-oxopyrido[2,3-b]pyrazin-2-yl)piperazine-1-carbonyl]amino]benzoate
CID 86809385

Frequently Asked Questions

What is the IUPAC name of ethyl (3R)-3-[[4-(4-ethyl-3-oxopyrido[2,3-b]pyrazin-2-yl)piperazine-1-carbonyl]amino]-3-phenylpropanoate?
The IUPAC name of ethyl (3R)-3-[[4-(4-ethyl-3-oxopyrido[2,3-b]pyrazin-2-yl)piperazine-1-carbonyl]amino]-3-phenylpropanoate (CID 95053127) is ethyl (3R)-3-[[4-(4-ethyl-3-oxopyrido[2,3-b]pyrazin-2-yl)piperazine-1-carbonyl]amino]-3-phenylpropanoate.
What is the SMILES notation for ethyl (3R)-3-[[4-(4-ethyl-3-oxopyrido[2,3-b]pyrazin-2-yl)piperazine-1-carbonyl]amino]-3-phenylpropanoate?
The canonical SMILES for ethyl (3R)-3-[[4-(4-ethyl-3-oxopyrido[2,3-b]pyrazin-2-yl)piperazine-1-carbonyl]amino]-3-phenylpropanoate is CCOC(=O)C[C@@H](NC(=O)N1CCN(c2nc3cccnc3n(CC)c2=O)CC1)c1ccccc1.
What is the InChIKey of ethyl (3R)-3-[[4-(4-ethyl-3-oxopyrido[2,3-b]pyrazin-2-yl)piperazine-1-carbonyl]amino]-3-phenylpropanoate?
The InChIKey is JUWLCEXMORROLV-HXUWFJFHSA-N. The full InChI is InChI=1S/C25H30N6O4/c1-3-31-22-19(11-8-12-26-22)27-23(24(31)33)29-13-15-30(16-14-29)25(34)28-20(17-21(32)35-4-2)18-9-6-5-7-10-18/h5-12,20H,3-4,13-17H2,1-2H3,(H,28,34)/t20-/m1/s1.
What are the key properties of ethyl (3R)-3-[[4-(4-ethyl-3-oxopyrido[2,3-b]pyrazin-2-yl)piperazine-1-carbonyl]amino]-3-phenylpropanoate?
ethyl (3R)-3-[[4-(4-ethyl-3-oxopyrido[2,3-b]pyrazin-2-yl)piperazine-1-carbonyl]amino]-3-phenylpropanoate has a molecular weight of 478.55 g/mol, XLogP of 2.34, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (3R)-3-[[4-(4-ethyl-3-oxopyrido[2,3-b]pyrazin-2-yl)piperazine-1-carbonyl]amino]-3-phenylpropanoate is sourced from PubChem (CID 95053127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).