4-[[2-(4-chlorophenyl)-6-cyclopropylimidazo[1,2-a]pyrazin-3-yl]methyl]morpholine;[4-[[2-(4-chlorophenyl)-6-cyclopropylimidazo[1,2-a]pyrazin-3-yl]methyl]piperazin-1-yl]-(4-fluorophenyl)methanone;1-[2-(4-chlorophenyl)-3-(morpholin-4-ylmethyl)imidazo[1,2-a]pyridin-6-yl]pyrrolidin-2-one;1-[[2-(4-chlorophenyl)-6-phenylimidazo[1,2-a]pyridin-3-yl]methyl]-N-(3-fluorophenyl)piperidine-4-carboxamide;4-[[2-(2,4-dichlorophenyl)-6-phenylimidazo[1,2-a]pyridin-3-yl]methyl]morpholine;ethyl 2-(4-chlorophenyl)-3-(morpholin-4-ylmethyl)imidazo[1,2-a]pyridine-6-carboxylate

C146H140Cl7F2N23O9 — CID 159854746

IUPAC4-[[2-(4-chlorophenyl)-6-cyclopropylimidazo[1,2-a]pyrazin-3-yl]methyl]morpholine;[4-[[2-(4-chlorophenyl)-6-cyclopropylimidazo[1,2-a]pyrazin-3-yl]methyl]piperazin-1-yl]-(4-fluorophenyl)methanone;1-[2-(4-chlorophenyl)-3-(morpholin-4-ylmethyl)imidazo[1,2-a]pyridin-6-yl]pyrrolidin-2-one;1-[[2-(4-chlorophenyl)-6-phenylimidazo[1,2-a]pyridin-3-yl]methyl]-N-(3-fluorophenyl)piperidine-4-carboxamide;4-[[2-(2,4-dichlorophenyl)-6-phenylimidazo[1,2-a]pyridin-3-yl]methyl]morpholine;ethyl 2-(4-chlorophenyl)-3-(morpholin-4-ylmethyl)imidazo[1,2-a]pyridine-6-carboxylate
SMILESCCOC(=O)c1ccc2nc(-c3ccc(Cl)cc3)c(CN3CCOCC3)n2c1.Clc1ccc(-c2nc3ccc(-c4ccccc4)cn3c2CN2CCOCC2)c(Cl)c1.Clc1ccc(-c2nc3cnc(C4CC4)cn3c2CN2CCOCC2)cc1.O=C(Nc1cccc(F)c1)C1CCN(Cc2c(-c3ccc(Cl)cc3)nc3ccc(-c4ccccc4)cn23)CC1.O=C(c1ccc(F)cc1)N1CCN(Cc2c(-c3ccc(Cl)cc3)nc3cnc(C4CC4)cn23)CC1.O=C1CCCN1c1ccc2nc(-c3ccc(Cl)cc3)c(CN3CCOCC3)n2c1
InChIInChI=1S/C32H28ClFN4O.C27H25ClFN5O.C24H21Cl2N3O.C22H23ClN4O2.C21H22ClN3O3.C20H21ClN4O/c33-26-12-9-23(10-13-26)31-29(38-20-25(11-14-30(38)36-31)22-5-2-1-3-6-22)21-37-17-15-24(16-18-37)32(39)35-28-8-4-7-27(34)19-28;28-21-7-3-19(4-8-21)26-24(34-16-23(18-1-2-18)30-15-25(34)31-26)17-32-11-13-33(14-12-32)27(35)20-5-9-22(29)10-6-20;25-19-7-8-20(21(26)14-19)24-22(16-28-10-12-30-13-11-28)29-15-18(6-9-23(29)27-24)17-4-2-1-3-5-17;23-17-5-3-16(4-6-17)22-19(15-25-10-12-29-13-11-25)27-14-18(7-8-20(27)24-22)26-9-1-2-21(26)28;1-2-28-21(26)16-5-8-19-23-20(15-3-6-17(22)7-4-15)18(25(19)13-16)14-24-9-11-27-12-10-24;21-16-5-3-15(4-6-16)20-18(13-24-7-9-26-10-8-24)25-12-17(14-1-2-14)22-11-19(25)23-20/h1-14,19-20,24H,15-18,21H2,(H,35,39);3-10,15-16,18H,1-2,11-14,17H2;1-9,14-15H,10-13,16H2;3-8,14H,1-2,9-13,15H2;3-8,13H,2,9-12,14H2,1H3;3-6,11-12,14H,1-2,7-10,13H2
InChIKeyNQJNWZVAKZLRRR-UHFFFAOYSA-N
MW2647.04 g/mol
LogP29.18
Rot. Bonds28

About 4-[[2-(4-chlorophenyl)-6-cyclopropylimidazo[1,2-a]pyrazin-3-yl]methyl]morpholine;[4-[[2-(4-chlorophenyl)-6-cyclopropylimidazo[1,2-a]pyrazin-3-yl]methyl]piperazin-1-yl]-(4-fluorophenyl)methanone;1-[2-(4-chlorophenyl)-3-(morpholin-4-ylmethyl)imidazo[1,2-a]pyridin-6-yl]pyrrolidin-2-one;1-[[2-(4-chlorophenyl)-6-phenylimidazo[1,2-a]pyridin-3-yl]methyl]-N-(3-fluorophenyl)piperidine-4-carboxamide;4-[[2-(2,4-dichlorophenyl)-6-phenylimidazo[1,2-a]pyridin-3-yl]methyl]morpholine;ethyl 2-(4-chlorophenyl)-3-(morpholin-4-ylmethyl)imidazo[1,2-a]pyridine-6-carboxylate

4-[[2-(4-chlorophenyl)-6-cyclopropylimidazo[1,2-a]pyrazin-3-yl]methyl]morpholine;[4-[[2-(4-chlorophenyl)-6-cyclopropylimidazo[1,2-a]pyrazin-3-yl]methyl]piperazin-1-yl]-(4-fluorophenyl)methanone;1-[2-(4-chlorophenyl)-3-(morpholin-4-ylmethyl)imidazo[1,2-a]pyridin-6-yl]pyrrolidin-2-one;1-[[2-(4-chlorophenyl)-6-phenylimidazo[1,2-a]pyridin-3-yl]methyl]-N-(3-fluorophenyl)piperidine-4-carboxamide;4-[[2-(2,4-dichlorophenyl)-6-phenylimidazo[1,2-a]pyridin-3-yl]methyl]morpholine;ethyl 2-(4-chlorophenyl)-3-(morpholin-4-ylmethyl)imidazo[1,2-a]pyridine-6-carboxylate (PubChem CID 159854746) has the molecular formula C146H140Cl7F2N23O9 and a molecular weight of 2647.04 g/mol. Its IUPAC name is 4-[[2-(4-chlorophenyl)-6-cyclopropylimidazo[1,2-a]pyrazin-3-yl]methyl]morpholine;[4-[[2-(4-chlorophenyl)-6-cyclopropylimidazo[1,2-a]pyrazin-3-yl]methyl]piperazin-1-yl]-(4-fluorophenyl)methanone;1-[2-(4-chlorophenyl)-3-(morpholin-4-ylmethyl)imidazo[1,2-a]pyridin-6-yl]pyrrolidin-2-one;1-[[2-(4-chlorophenyl)-6-phenylimidazo[1,2-a]pyridin-3-yl]methyl]-N-(3-fluorophenyl)piperidine-4-carboxamide;4-[[2-(2,4-dichlorophenyl)-6-phenylimidazo[1,2-a]pyridin-3-yl]methyl]morpholine;ethyl 2-(4-chlorophenyl)-3-(morpholin-4-ylmethyl)imidazo[1,2-a]pyridine-6-carboxylate.

Molecular Properties

Compound Name4-[[2-(4-chlorophenyl)-6-cyclopropylimidazo[1,2-a]pyrazin-3-yl]methyl]morpholine;[4-[[2-(4-chlorophenyl)-6-cyclopropylimidazo[1,2-a]pyrazin-3-yl]methyl]piperazin-1-yl]-(4-fluorophenyl)methanone;1-[2-(4-chlorophenyl)-3-(morpholin-4-ylmethyl)imidazo[1,2-a]pyridin-6-yl]pyrrolidin-2-one;1-[[2-(4-chlorophenyl)-6-phenylimidazo[1,2-a]pyridin-3-yl]methyl]-N-(3-fluorophenyl)piperidine-4-carboxamide;4-[[2-(2,4-dichlorophenyl)-6-phenylimidazo[1,2-a]pyridin-3-yl]methyl]morpholine;ethyl 2-(4-chlorophenyl)-3-(morpholin-4-ylmethyl)imidazo[1,2-a]pyridine-6-carboxylate
PubChem CID159854746
Molecular FormulaC146H140Cl7F2N23O9
Molecular Weight2647.04 g/mol
Exact Mass2641.90
IUPAC Name4-[[2-(4-chlorophenyl)-6-cyclopropylimidazo[1,2-a]pyrazin-3-yl]methyl]morpholine;[4-[[2-(4-chlorophenyl)-6-cyclopropylimidazo[1,2-a]pyrazin-3-yl]methyl]piperazin-1-yl]-(4-fluorophenyl)methanone;1-[2-(4-chlorophenyl)-3-(morpholin-4-ylmethyl)imidazo[1,2-a]pyridin-6-yl]pyrrolidin-2-one;1-[[2-(4-chlorophenyl)-6-phenylimidazo[1,2-a]pyridin-3-yl]methyl]-N-(3-fluorophenyl)piperidine-4-carboxamide;4-[[2-(2,4-dichlorophenyl)-6-phenylimidazo[1,2-a]pyridin-3-yl]methyl]morpholine;ethyl 2-(4-chlorophenyl)-3-(morpholin-4-ylmethyl)imidazo[1,2-a]pyridine-6-carboxylate
SMILESCCOC(=O)c1ccc2nc(-c3ccc(Cl)cc3)c(CN3CCOCC3)n2c1.Clc1ccc(-c2nc3ccc(-c4ccccc4)cn3c2CN2CCOCC2)c(Cl)c1.Clc1ccc(-c2nc3cnc(C4CC4)cn3c2CN2CCOCC2)cc1.O=C(Nc1cccc(F)c1)C1CCN(Cc2c(-c3ccc(Cl)cc3)nc3ccc(-c4ccccc4)cn23)CC1.O=C(c1ccc(F)cc1)N1CCN(Cc2c(-c3ccc(Cl)cc3)nc3cnc(C4CC4)cn23)CC1.O=C1CCCN1c1ccc2nc(-c3ccc(Cl)cc3)c(CN3CCOCC3)n2c1
InChIInChI=1S/C32H28ClFN4O.C27H25ClFN5O.C24H21Cl2N3O.C22H23ClN4O2.C21H22ClN3O3.C20H21ClN4O/c33-26-12-9-23(10-13-26)31-29(38-20-25(11-14-30(38)36-31)22-5-2-1-3-6-22)21-37-17-15-24(16-18-37)32(39)35-28-8-4-7-27(34)19-28;28-21-7-3-19(4-8-21)26-24(34-16-23(18-1-2-18)30-15-25(34)31-26)17-32-11-13-33(14-12-32)27(35)20-5-9-22(29)10-6-20;25-19-7-8-20(21(26)14-19)24-22(16-28-10-12-30-13-11-28)29-15-18(6-9-23(29)27-24)17-4-2-1-3-5-17;23-17-5-3-16(4-6-17)22-19(15-25-10-12-29-13-11-25)27-14-18(7-8-20(27)24-22)26-9-1-2-21(26)28;1-2-28-21(26)16-5-8-19-23-20(15-3-6-17(22)7-4-15)18(25(19)13-16)14-24-9-11-27-12-10-24;21-16-5-3-15(4-6-16)20-18(13-24-7-9-26-10-8-24)25-12-17(14-1-2-14)22-11-19(25)23-20/h1-14,19-20,24H,15-18,21H2,(H,35,39);3-10,15-16,18H,1-2,11-14,17H2;1-9,14-15H,10-13,16H2;3-8,14H,1-2,9-13,15H2;3-8,13H,2,9-12,14H2,1H3;3-6,11-12,14H,1-2,7-10,13H2
InChIKeyNQJNWZVAKZLRRR-UHFFFAOYSA-N
XLogP29.18
TPSA281.96 Ų
H-Bond Donors1
H-Bond Acceptors29
Rotatable Bonds28
Heavy Atoms187
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002647.04
LogP ≤ 529.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1029

Analyze 4-[[2-(4-chlorophenyl)-6-cyclopropylimidazo[1,2-a]pyrazin-3-yl]methyl]morpholine;[4-[[2-(4-chlorophenyl)-6-cyclopropylimidazo[1,2-a]pyrazin-3-yl]methyl]piperazin-1-yl]-(4-fluorophenyl)methanone;1-[2-(4-chlorophenyl)-3-(morpholin-4-ylmethyl)imidazo[1,2-a]pyridin-6-yl]pyrrolidin-2-one;1-[[2-(4-chlorophenyl)-6-phenylimidazo[1,2-a]pyridin-3-yl]methyl]-N-(3-fluorophenyl)piperidine-4-carboxamide;4-[[2-(2,4-dichlorophenyl)-6-phenylimidazo[1,2-a]pyridin-3-yl]methyl]morpholine;ethyl 2-(4-chlorophenyl)-3-(morpholin-4-ylmethyl)imidazo[1,2-a]pyridine-6-carboxylate with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4-[[2-(4-chlorophenyl)-6-cyclopropylimidazo[1,2-a]pyrazin-3-yl]methyl]morpholine;[4-[[2-(4-chlorophenyl)-6-cyclopropylimidazo[1,2-a]pyrazin-3-yl]methyl]piperazin-1-yl]-(4-fluorophenyl)methanone;1-[2-(4-chlorophenyl)-3-(morpholin-4-ylmethyl)imidazo[1,2-a]pyridin-6-yl]pyrrolidin-2-one;1-[[2-(4-chlorophenyl)-6-phenylimidazo[1,2-a]pyridin-3-yl]methyl]-N-(3-fluorophenyl)piperidine-4-carboxamide;4-[[2-(2,4-dichlorophenyl)-6-phenylimidazo[1,2-a]pyridin-3-yl]methyl]morpholine;ethyl 2-(4-chlorophenyl)-3-(morpholin-4-ylmethyl)imidazo[1,2-a]pyridine-6-carboxylate?
The IUPAC name of 4-[[2-(4-chlorophenyl)-6-cyclopropylimidazo[1,2-a]pyrazin-3-yl]methyl]morpholine;[4-[[2-(4-chlorophenyl)-6-cyclopropylimidazo[1,2-a]pyrazin-3-yl]methyl]piperazin-1-yl]-(4-fluorophenyl)methanone;1-[2-(4-chlorophenyl)-3-(morpholin-4-ylmethyl)imidazo[1,2-a]pyridin-6-yl]pyrrolidin-2-one;1-[[2-(4-chlorophenyl)-6-phenylimidazo[1,2-a]pyridin-3-yl]methyl]-N-(3-fluorophenyl)piperidine-4-carboxamide;4-[[2-(2,4-dichlorophenyl)-6-phenylimidazo[1,2-a]pyridin-3-yl]methyl]morpholine;ethyl 2-(4-chlorophenyl)-3-(morpholin-4-ylmethyl)imidazo[1,2-a]pyridine-6-carboxylate (CID 159854746) is 4-[[2-(4-chlorophenyl)-6-cyclopropylimidazo[1,2-a]pyrazin-3-yl]methyl]morpholine;[4-[[2-(4-chlorophenyl)-6-cyclopropylimidazo[1,2-a]pyrazin-3-yl]methyl]piperazin-1-yl]-(4-fluorophenyl)methanone;1-[2-(4-chlorophenyl)-3-(morpholin-4-ylmethyl)imidazo[1,2-a]pyridin-6-yl]pyrrolidin-2-one;1-[[2-(4-chlorophenyl)-6-phenylimidazo[1,2-a]pyridin-3-yl]methyl]-N-(3-fluorophenyl)piperidine-4-carboxamide;4-[[2-(2,4-dichlorophenyl)-6-phenylimidazo[1,2-a]pyridin-3-yl]methyl]morpholine;ethyl 2-(4-chlorophenyl)-3-(morpholin-4-ylmethyl)imidazo[1,2-a]pyridine-6-carboxylate.
What is the SMILES notation for 4-[[2-(4-chlorophenyl)-6-cyclopropylimidazo[1,2-a]pyrazin-3-yl]methyl]morpholine;[4-[[2-(4-chlorophenyl)-6-cyclopropylimidazo[1,2-a]pyrazin-3-yl]methyl]piperazin-1-yl]-(4-fluorophenyl)methanone;1-[2-(4-chlorophenyl)-3-(morpholin-4-ylmethyl)imidazo[1,2-a]pyridin-6-yl]pyrrolidin-2-one;1-[[2-(4-chlorophenyl)-6-phenylimidazo[1,2-a]pyridin-3-yl]methyl]-N-(3-fluorophenyl)piperidine-4-carboxamide;4-[[2-(2,4-dichlorophenyl)-6-phenylimidazo[1,2-a]pyridin-3-yl]methyl]morpholine;ethyl 2-(4-chlorophenyl)-3-(morpholin-4-ylmethyl)imidazo[1,2-a]pyridine-6-carboxylate?
The canonical SMILES for 4-[[2-(4-chlorophenyl)-6-cyclopropylimidazo[1,2-a]pyrazin-3-yl]methyl]morpholine;[4-[[2-(4-chlorophenyl)-6-cyclopropylimidazo[1,2-a]pyrazin-3-yl]methyl]piperazin-1-yl]-(4-fluorophenyl)methanone;1-[2-(4-chlorophenyl)-3-(morpholin-4-ylmethyl)imidazo[1,2-a]pyridin-6-yl]pyrrolidin-2-one;1-[[2-(4-chlorophenyl)-6-phenylimidazo[1,2-a]pyridin-3-yl]methyl]-N-(3-fluorophenyl)piperidine-4-carboxamide;4-[[2-(2,4-dichlorophenyl)-6-phenylimidazo[1,2-a]pyridin-3-yl]methyl]morpholine;ethyl 2-(4-chlorophenyl)-3-(morpholin-4-ylmethyl)imidazo[1,2-a]pyridine-6-carboxylate is CCOC(=O)c1ccc2nc(-c3ccc(Cl)cc3)c(CN3CCOCC3)n2c1.Clc1ccc(-c2nc3ccc(-c4ccccc4)cn3c2CN2CCOCC2)c(Cl)c1.Clc1ccc(-c2nc3cnc(C4CC4)cn3c2CN2CCOCC2)cc1.O=C(Nc1cccc(F)c1)C1CCN(Cc2c(-c3ccc(Cl)cc3)nc3ccc(-c4ccccc4)cn23)CC1.O=C(c1ccc(F)cc1)N1CCN(Cc2c(-c3ccc(Cl)cc3)nc3cnc(C4CC4)cn23)CC1.O=C1CCCN1c1ccc2nc(-c3ccc(Cl)cc3)c(CN3CCOCC3)n2c1.
What is the InChIKey of 4-[[2-(4-chlorophenyl)-6-cyclopropylimidazo[1,2-a]pyrazin-3-yl]methyl]morpholine;[4-[[2-(4-chlorophenyl)-6-cyclopropylimidazo[1,2-a]pyrazin-3-yl]methyl]piperazin-1-yl]-(4-fluorophenyl)methanone;1-[2-(4-chlorophenyl)-3-(morpholin-4-ylmethyl)imidazo[1,2-a]pyridin-6-yl]pyrrolidin-2-one;1-[[2-(4-chlorophenyl)-6-phenylimidazo[1,2-a]pyridin-3-yl]methyl]-N-(3-fluorophenyl)piperidine-4-carboxamide;4-[[2-(2,4-dichlorophenyl)-6-phenylimidazo[1,2-a]pyridin-3-yl]methyl]morpholine;ethyl 2-(4-chlorophenyl)-3-(morpholin-4-ylmethyl)imidazo[1,2-a]pyridine-6-carboxylate?
The InChIKey is NQJNWZVAKZLRRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H28ClFN4O.C27H25ClFN5O.C24H21Cl2N3O.C22H23ClN4O2.C21H22ClN3O3.C20H21ClN4O/c33-26-12-9-23(10-13-26)31-29(38-20-25(11-14-30(38)36-31)22-5-2-1-3-6-22)21-37-17-15-24(16-18-37)32(39)35-28-8-4-7-27(34)19-28;28-21-7-3-19(4-8-21)26-24(34-16-23(18-1-2-18)30-15-25(34)31-26)17-32-11-13-33(14-12-32)27(35)20-5-9-22(29)10-6-20;25-19-7-8-20(21(26)14-19)24-22(16-28-10-12-30-13-11-28)29-15-18(6-9-23(29)27-24)17-4-2-1-3-5-17;23-17-5-3-16(4-6-17)22-19(15-25-10-12-29-13-11-25)27-14-18(7-8-20(27)24-22)26-9-1-2-21(26)28;1-2-28-21(26)16-5-8-19-23-20(15-3-6-17(22)7-4-15)18(25(19)13-16)14-24-9-11-27-12-10-24;21-16-5-3-15(4-6-16)20-18(13-24-7-9-26-10-8-24)25-12-17(14-1-2-14)22-11-19(25)23-20/h1-14,19-20,24H,15-18,21H2,(H,35,39);3-10,15-16,18H,1-2,11-14,17H2;1-9,14-15H,10-13,16H2;3-8,14H,1-2,9-13,15H2;3-8,13H,2,9-12,14H2,1H3;3-6,11-12,14H,1-2,7-10,13H2.
What are the key properties of 4-[[2-(4-chlorophenyl)-6-cyclopropylimidazo[1,2-a]pyrazin-3-yl]methyl]morpholine;[4-[[2-(4-chlorophenyl)-6-cyclopropylimidazo[1,2-a]pyrazin-3-yl]methyl]piperazin-1-yl]-(4-fluorophenyl)methanone;1-[2-(4-chlorophenyl)-3-(morpholin-4-ylmethyl)imidazo[1,2-a]pyridin-6-yl]pyrrolidin-2-one;1-[[2-(4-chlorophenyl)-6-phenylimidazo[1,2-a]pyridin-3-yl]methyl]-N-(3-fluorophenyl)piperidine-4-carboxamide;4-[[2-(2,4-dichlorophenyl)-6-phenylimidazo[1,2-a]pyridin-3-yl]methyl]morpholine;ethyl 2-(4-chlorophenyl)-3-(morpholin-4-ylmethyl)imidazo[1,2-a]pyridine-6-carboxylate?
4-[[2-(4-chlorophenyl)-6-cyclopropylimidazo[1,2-a]pyrazin-3-yl]methyl]morpholine;[4-[[2-(4-chlorophenyl)-6-cyclopropylimidazo[1,2-a]pyrazin-3-yl]methyl]piperazin-1-yl]-(4-fluorophenyl)methanone;1-[2-(4-chlorophenyl)-3-(morpholin-4-ylmethyl)imidazo[1,2-a]pyridin-6-yl]pyrrolidin-2-one;1-[[2-(4-chlorophenyl)-6-phenylimidazo[1,2-a]pyridin-3-yl]methyl]-N-(3-fluorophenyl)piperidine-4-carboxamide;4-[[2-(2,4-dichlorophenyl)-6-phenylimidazo[1,2-a]pyridin-3-yl]methyl]morpholine;ethyl 2-(4-chlorophenyl)-3-(morpholin-4-ylmethyl)imidazo[1,2-a]pyridine-6-carboxylate has a molecular weight of 2647.04 g/mol, XLogP of 29.18, 28 rotatable bonds, 1 hydrogen bond donors, and 29 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-(4-chlorophenyl)-6-cyclopropylimidazo[1,2-a]pyrazin-3-yl]methyl]morpholine;[4-[[2-(4-chlorophenyl)-6-cyclopropylimidazo[1,2-a]pyrazin-3-yl]methyl]piperazin-1-yl]-(4-fluorophenyl)methanone;1-[2-(4-chlorophenyl)-3-(morpholin-4-ylmethyl)imidazo[1,2-a]pyridin-6-yl]pyrrolidin-2-one;1-[[2-(4-chlorophenyl)-6-phenylimidazo[1,2-a]pyridin-3-yl]methyl]-N-(3-fluorophenyl)piperidine-4-carboxamide;4-[[2-(2,4-dichlorophenyl)-6-phenylimidazo[1,2-a]pyridin-3-yl]methyl]morpholine;ethyl 2-(4-chlorophenyl)-3-(morpholin-4-ylmethyl)imidazo[1,2-a]pyridine-6-carboxylate is sourced from PubChem (CID 159854746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).