ethyl 6-bromo-8-(4-morpholin-4-ylanilino)imidazo[1,2-a]pyrazine-2-carboxylate

C19H20BrN5O3 — CID 162352132

IUPACethyl 6-bromo-8-(4-morpholin-4-ylanilino)imidazo[1,2-a]pyrazine-2-carboxylate
SMILESCCOC(=O)c1cn2cc(Br)nc(Nc3ccc(N4CCOCC4)cc3)c2n1
InChIInChI=1S/C19H20BrN5O3/c1-2-28-19(26)15-11-25-12-16(20)23-17(18(25)22-15)21-13-3-5-14(6-4-13)24-7-9-27-10-8-24/h3-6,11-12H,2,7-10H2,1H3,(H,21,23)
InChIKeyYLVKMIAHERZVTB-UHFFFAOYSA-N
MW446.31 g/mol
LogP3.25
Rot. Bonds5

About ethyl 6-bromo-8-(4-morpholin-4-ylanilino)imidazo[1,2-a]pyrazine-2-carboxylate

ethyl 6-bromo-8-(4-morpholin-4-ylanilino)imidazo[1,2-a]pyrazine-2-carboxylate (PubChem CID 162352132) has the molecular formula C19H20BrN5O3 and a molecular weight of 446.31 g/mol. Its IUPAC name is ethyl 6-bromo-8-(4-morpholin-4-ylanilino)imidazo[1,2-a]pyrazine-2-carboxylate.

Molecular Properties

Compound Nameethyl 6-bromo-8-(4-morpholin-4-ylanilino)imidazo[1,2-a]pyrazine-2-carboxylate
PubChem CID162352132
Molecular FormulaC19H20BrN5O3
Molecular Weight446.31 g/mol
Exact Mass445.07
IUPAC Nameethyl 6-bromo-8-(4-morpholin-4-ylanilino)imidazo[1,2-a]pyrazine-2-carboxylate
SMILESCCOC(=O)c1cn2cc(Br)nc(Nc3ccc(N4CCOCC4)cc3)c2n1
InChIInChI=1S/C19H20BrN5O3/c1-2-28-19(26)15-11-25-12-16(20)23-17(18(25)22-15)21-13-3-5-14(6-4-13)24-7-9-27-10-8-24/h3-6,11-12H,2,7-10H2,1H3,(H,21,23)
InChIKeyYLVKMIAHERZVTB-UHFFFAOYSA-N
XLogP3.25
TPSA80.99 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.31
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

ethyl 6-bromo-8-(butan-2-ylamino)imidazo[1,2-a]pyrazine-2-carboxylate
CID 14207614
ethyl 8-morpholin-4-ylimidazo[1,2-a]pyrazine-2-carboxylate
CID 14207617
ethyl 6-bromo-3-methyl-8-morpholin-4-ylimidazo[1,2-a]pyrazine-2-carboxylate
CID 162374440
5-bromo-3-N-(4-morpholin-4-ylphenyl)pyrazine-2,3-diamine
CID 152621698
propyl 6,7-dimethyl-3-(4-morpholin-4-ylanilino)quinoxaline-2-carboxylate
CID 50765227
N-(2-aminoethyl)-6-bromo-8-morpholin-4-ylimidazo[1,2-a]pyrazine-2-carboxamide
CID 162374424
ethyl 4-[(4,6-dimorpholin-4-yl-1,3,5-triazin-2-yl)amino]benzoate;hydrochloride
CID 18580234
ethyl 8-bromoimidazo[1,2-a]pyridine-2-carboxylate
CID 57360969
diethyl 4-(4-morpholin-4-ylanilino)quinoline-3,6-dicarboxylate
CID 1190175
6-bromo-N-methyl-N-[2-(methylamino)ethyl]-8-morpholin-4-ylimidazo[1,2-a]pyrazine-2-carboxamide
CID 167528924
ethyl 4-[(6-methyl-2-morpholin-4-ylpyrimidin-4-yl)amino]benzoate
CID 659609
ethyl 4-[1-(4-morpholin-4-ylanilino)-8-oxo-7H-2,7-naphthyridin-3-yl]-1,3-thiazole-2-carboxylate
CID 58094082

Frequently Asked Questions

What is the IUPAC name of ethyl 6-bromo-8-(4-morpholin-4-ylanilino)imidazo[1,2-a]pyrazine-2-carboxylate?
The IUPAC name of ethyl 6-bromo-8-(4-morpholin-4-ylanilino)imidazo[1,2-a]pyrazine-2-carboxylate (CID 162352132) is ethyl 6-bromo-8-(4-morpholin-4-ylanilino)imidazo[1,2-a]pyrazine-2-carboxylate.
What is the SMILES notation for ethyl 6-bromo-8-(4-morpholin-4-ylanilino)imidazo[1,2-a]pyrazine-2-carboxylate?
The canonical SMILES for ethyl 6-bromo-8-(4-morpholin-4-ylanilino)imidazo[1,2-a]pyrazine-2-carboxylate is CCOC(=O)c1cn2cc(Br)nc(Nc3ccc(N4CCOCC4)cc3)c2n1.
What is the InChIKey of ethyl 6-bromo-8-(4-morpholin-4-ylanilino)imidazo[1,2-a]pyrazine-2-carboxylate?
The InChIKey is YLVKMIAHERZVTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20BrN5O3/c1-2-28-19(26)15-11-25-12-16(20)23-17(18(25)22-15)21-13-3-5-14(6-4-13)24-7-9-27-10-8-24/h3-6,11-12H,2,7-10H2,1H3,(H,21,23).
What are the key properties of ethyl 6-bromo-8-(4-morpholin-4-ylanilino)imidazo[1,2-a]pyrazine-2-carboxylate?
ethyl 6-bromo-8-(4-morpholin-4-ylanilino)imidazo[1,2-a]pyrazine-2-carboxylate has a molecular weight of 446.31 g/mol, XLogP of 3.25, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 6-bromo-8-(4-morpholin-4-ylanilino)imidazo[1,2-a]pyrazine-2-carboxylate is sourced from PubChem (CID 162352132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).