4-O-tert-butyl 2-O-ethyl 1-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]imidazole-2,4-dicarboxylate;5-O-tert-butyl 2-O-ethyl 1H-imidazole-2,5-dicarboxylate;tert-butyl prop-2-ynoate;(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)methanamine;2-(chloromethyl)-6-cyclopropylimidazo[1,2-a]pyridine;1-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]-2-ethoxycarbonylimidazole-4-carboxylic acid;ethyl (2Z)-2-amino-2-hydroxyiminoacetate;ethyl 4-[(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)methylcarbamoyl]-1-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]imidazole-2-carboxylate;hydrochloride

C107H120Cl4F2N24O20 — CID 172939537

About 4-O-tert-butyl 2-O-ethyl 1-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]imidazole-2,4-dicarboxylate;5-O-tert-butyl 2-O-ethyl 1H-imidazole-2,5-dicarboxylate;tert-butyl prop-2-ynoate;(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)methanamine;2-(chloromethyl)-6-cyclopropylimidazo[1,2-a]pyridine;1-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]-2-ethoxycarbonylimidazole-4-carboxylic acid;ethyl (2Z)-2-amino-2-hydroxyiminoacetate;ethyl 4-[(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)methylcarbamoyl]-1-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]imidazole-2-carboxylate;hydrochloride

4-O-tert-butyl 2-O-ethyl 1-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]imidazole-2,4-dicarboxylate;5-O-tert-butyl 2-O-ethyl 1H-imidazole-2,5-dicarboxylate;tert-butyl prop-2-ynoate;(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)methanamine;2-(chloromethyl)-6-cyclopropylimidazo[1,2-a]pyridine;1-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]-2-ethoxycarbonylimidazole-4-carboxylic acid;ethyl (2Z)-2-amino-2-hydroxyiminoacetate;ethyl 4-[(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)methylcarbamoyl]-1-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]imidazole-2-carboxylate;hydrochloride (PubChem CID 172939537) has the molecular formula C107H120Cl4F2N24O20 and a molecular weight of 2242.09 g/mol. Its IUPAC name is 4-O-tert-butyl 2-O-ethyl 1-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]imidazole-2,4-dicarboxylate;5-O-tert-butyl 2-O-ethyl 1H-imidazole-2,5-dicarboxylate;tert-butyl prop-2-ynoate;(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)methanamine;2-(chloromethyl)-6-cyclopropylimidazo[1,2-a]pyridine;1-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]-2-ethoxycarbonylimidazole-4-carboxylic acid;ethyl (2Z)-2-amino-2-hydroxyiminoacetate;ethyl 4-[(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)methylcarbamoyl]-1-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]imidazole-2-carboxylate;hydrochloride.

Molecular Properties

• Compound Name: 4-O-tert-butyl 2-O-ethyl 1-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]imidazole-2,4-dicarboxylate;5-O-tert-butyl 2-O-ethyl 1H-imidazole-2,5-dicarboxylate;tert-butyl prop-2-ynoate;(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)methanamine;2-(chloromethyl)-6-cyclopropylimidazo[1,2-a]pyridine;1-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]-2-ethoxycarbonylimidazole-4-carboxylic acid;ethyl (2Z)-2-amino-2-hydroxyiminoacetate;ethyl 4-[(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)methylcarbamoyl]-1-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]imidazole-2-carboxylate;hydrochloride
• PubChem CID: 172939537
• Molecular Formula: C107H120Cl4F2N24O20
• Molecular Weight: 2242.09 g/mol
• Exact Mass: 2238.78
• IUPAC Name: 4-O-tert-butyl 2-O-ethyl 1-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]imidazole-2,4-dicarboxylate;5-O-tert-butyl 2-O-ethyl 1H-imidazole-2,5-dicarboxylate;tert-butyl prop-2-ynoate;(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)methanamine;2-(chloromethyl)-6-cyclopropylimidazo[1,2-a]pyridine;1-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]-2-ethoxycarbonylimidazole-4-carboxylic acid;ethyl (2Z)-2-amino-2-hydroxyiminoacetate;ethyl 4-[(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)methylcarbamoyl]-1-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]imidazole-2-carboxylate;hydrochloride
• SMILES: C#CC(=O)OC(C)(C)C.CCOC(=O)/C(N)=N/O.CCOC(=O)c1nc(C(=O)NCc2ncn3ccc(Cl)c(F)c23)cn1Cc1cn2cc(C3CC3)ccc2n1.CCOC(=O)c1nc(C(=O)O)cn1Cc1cn2cc(C3CC3)ccc2n1.CCOC(=O)c1nc(C(=O)OC(C)(C)C)cn1Cc1cn2cc(C3CC3)ccc2n1.CCOC(=O)c1ncc(C(=O)OC(C)(C)C)[nH]1.Cl.ClCc1cn2cc(C3CC3)ccc2n1.NCc1ncn2ccc(Cl)c(F)c12
• InChI: InChI=1S/C26H23ClFN7O3.C22H26N4O4.C18H18N4O4.C11H11ClN2.C11H16N2O4.C8H7ClFN3.C7H10O2.C4H8N2O3.ClH/c1-2-38-26(37)24-32-20(25(36)29-9-19-23-22(28)18(27)7-8-33(23)14-30-19)13-35(24)12-17-11-34-10-16(15-3-4-15)5-6-21(34)31-17;1-5-29-21(28)19-24-17(20(27)30-22(2,3)4)13-26(19)12-16-11-25-10-15(14-6-7-14)8-9-18(25)23-16;1-2-26-18(25)16-20-14(17(23)24)10-22(16)9-13-8-21-7-12(11-3-4-11)5-6-15(21)19-13;12-5-10-7-14-6-9(8-1-2-8)3-4-11(14)13-10;1-5-16-10(15)8-12-6-7(13-8)9(14)17-11(2,3)4;9-5-1-2-13-4-12-6(3-11)8(13)7(5)10;1-5-6(8)9-7(2,3)4;1-2-9-4(7)3(5)6-8;/h5-8,10-11,13-15H,2-4,9,12H2,1H3,(H,29,36);8-11,13-14H,5-7,12H2,1-4H3;5-8,10-11H,2-4,9H2,1H3,(H,23,24);3-4,6-8H,1-2,5H2;6H,5H2,1-4H3,(H,12,13);1-2,4H,3,11H2;1H,2-4H3;8H,2H2,1H3,(H2,5,6);1H
• InChIKey: JGGNXVLLADLBMM-UHFFFAOYSA-N
• XLogP: 16.68
• TPSA: 547.37 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 40
• Rotatable Bonds: 27
• Heavy Atoms: 157
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2242.09
LogP ≤ 5	16.68
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	40

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_5', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 4-O-tert-butyl 2-O-ethyl 1-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]imidazole-2,4-dicarboxylate;5-O-tert-butyl 2-O-ethyl 1H-imidazole-2,5-dicarboxylate;tert-butyl prop-2-ynoate;(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)methanamine;2-(chloromethyl)-6-cyclopropylimidazo[1,2-a]pyridine;1-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]-2-ethoxycarbonylimidazole-4-carboxylic acid;ethyl (2Z)-2-amino-2-hydroxyiminoacetate;ethyl 4-[(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)methylcarbamoyl]-1-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]imidazole-2-carboxylate;hydrochloride?

The IUPAC name of 4-O-tert-butyl 2-O-ethyl 1-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]imidazole-2,4-dicarboxylate;5-O-tert-butyl 2-O-ethyl 1H-imidazole-2,5-dicarboxylate;tert-butyl prop-2-ynoate;(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)methanamine;2-(chloromethyl)-6-cyclopropylimidazo[1,2-a]pyridine;1-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]-2-ethoxycarbonylimidazole-4-carboxylic acid;ethyl (2Z)-2-amino-2-hydroxyiminoacetate;ethyl 4-[(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)methylcarbamoyl]-1-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]imidazole-2-carboxylate;hydrochloride (CID 172939537) is 4-O-tert-butyl 2-O-ethyl 1-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]imidazole-2,4-dicarboxylate;5-O-tert-butyl 2-O-ethyl 1H-imidazole-2,5-dicarboxylate;tert-butyl prop-2-ynoate;(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)methanamine;2-(chloromethyl)-6-cyclopropylimidazo[1,2-a]pyridine;1-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]-2-ethoxycarbonylimidazole-4-carboxylic acid;ethyl (2Z)-2-amino-2-hydroxyiminoacetate;ethyl 4-[(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)methylcarbamoyl]-1-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]imidazole-2-carboxylate;hydrochloride.

What is the SMILES notation for 4-O-tert-butyl 2-O-ethyl 1-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]imidazole-2,4-dicarboxylate;5-O-tert-butyl 2-O-ethyl 1H-imidazole-2,5-dicarboxylate;tert-butyl prop-2-ynoate;(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)methanamine;2-(chloromethyl)-6-cyclopropylimidazo[1,2-a]pyridine;1-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]-2-ethoxycarbonylimidazole-4-carboxylic acid;ethyl (2Z)-2-amino-2-hydroxyiminoacetate;ethyl 4-[(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)methylcarbamoyl]-1-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]imidazole-2-carboxylate;hydrochloride?

The canonical SMILES for 4-O-tert-butyl 2-O-ethyl 1-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]imidazole-2,4-dicarboxylate;5-O-tert-butyl 2-O-ethyl 1H-imidazole-2,5-dicarboxylate;tert-butyl prop-2-ynoate;(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)methanamine;2-(chloromethyl)-6-cyclopropylimidazo[1,2-a]pyridine;1-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]-2-ethoxycarbonylimidazole-4-carboxylic acid;ethyl (2Z)-2-amino-2-hydroxyiminoacetate;ethyl 4-[(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)methylcarbamoyl]-1-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]imidazole-2-carboxylate;hydrochloride is C#CC(=O)OC(C)(C)C.CCOC(=O)/C(N)=N/O.CCOC(=O)c1nc(C(=O)NCc2ncn3ccc(Cl)c(F)c23)cn1Cc1cn2cc(C3CC3)ccc2n1.CCOC(=O)c1nc(C(=O)O)cn1Cc1cn2cc(C3CC3)ccc2n1.CCOC(=O)c1nc(C(=O)OC(C)(C)C)cn1Cc1cn2cc(C3CC3)ccc2n1.CCOC(=O)c1ncc(C(=O)OC(C)(C)C)[nH]1.Cl.ClCc1cn2cc(C3CC3)ccc2n1.NCc1ncn2ccc(Cl)c(F)c12.

What is the InChIKey of 4-O-tert-butyl 2-O-ethyl 1-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]imidazole-2,4-dicarboxylate;5-O-tert-butyl 2-O-ethyl 1H-imidazole-2,5-dicarboxylate;tert-butyl prop-2-ynoate;(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)methanamine;2-(chloromethyl)-6-cyclopropylimidazo[1,2-a]pyridine;1-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]-2-ethoxycarbonylimidazole-4-carboxylic acid;ethyl (2Z)-2-amino-2-hydroxyiminoacetate;ethyl 4-[(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)methylcarbamoyl]-1-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]imidazole-2-carboxylate;hydrochloride?

The InChIKey is JGGNXVLLADLBMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H23ClFN7O3.C22H26N4O4.C18H18N4O4.C11H11ClN2.C11H16N2O4.C8H7ClFN3.C7H10O2.C4H8N2O3.ClH/c1-2-38-26(37)24-32-20(25(36)29-9-19-23-22(28)18(27)7-8-33(23)14-30-19)13-35(24)12-17-11-34-10-16(15-3-4-15)5-6-21(34)31-17;1-5-29-21(28)19-24-17(20(27)30-22(2,3)4)13-26(19)12-16-11-25-10-15(14-6-7-14)8-9-18(25)23-16;1-2-26-18(25)16-20-14(17(23)24)10-22(16)9-13-8-21-7-12(11-3-4-11)5-6-15(21)19-13;12-5-10-7-14-6-9(8-1-2-8)3-4-11(14)13-10;1-5-16-10(15)8-12-6-7(13-8)9(14)17-11(2,3)4;9-5-1-2-13-4-12-6(3-11)8(13)7(5)10;1-5-6(8)9-7(2,3)4;1-2-9-4(7)3(5)6-8;/h5-8,10-11,13-15H,2-4,9,12H2,1H3,(H,29,36);8-11,13-14H,5-7,12H2,1-4H3;5-8,10-11H,2-4,9H2,1H3,(H,23,24);3-4,6-8H,1-2,5H2;6H,5H2,1-4H3,(H,12,13);1-2,4H,3,11H2;1H,2-4H3;8H,2H2,1H3,(H2,5,6);1H.

What are the key properties of 4-O-tert-butyl 2-O-ethyl 1-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]imidazole-2,4-dicarboxylate;5-O-tert-butyl 2-O-ethyl 1H-imidazole-2,5-dicarboxylate;tert-butyl prop-2-ynoate;(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)methanamine;2-(chloromethyl)-6-cyclopropylimidazo[1,2-a]pyridine;1-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]-2-ethoxycarbonylimidazole-4-carboxylic acid;ethyl (2Z)-2-amino-2-hydroxyiminoacetate;ethyl 4-[(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)methylcarbamoyl]-1-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]imidazole-2-carboxylate;hydrochloride?

4-O-tert-butyl 2-O-ethyl 1-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]imidazole-2,4-dicarboxylate;5-O-tert-butyl 2-O-ethyl 1H-imidazole-2,5-dicarboxylate;tert-butyl prop-2-ynoate;(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)methanamine;2-(chloromethyl)-6-cyclopropylimidazo[1,2-a]pyridine;1-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]-2-ethoxycarbonylimidazole-4-carboxylic acid;ethyl (2Z)-2-amino-2-hydroxyiminoacetate;ethyl 4-[(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)methylcarbamoyl]-1-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]imidazole-2-carboxylate;hydrochloride has a molecular weight of 2242.09 g/mol, XLogP of 16.68, 27 rotatable bonds, 6 hydrogen bond donors, and 40 hydrogen bond acceptors.

Where does this data come from?

All data for 4-O-tert-butyl 2-O-ethyl 1-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]imidazole-2,4-dicarboxylate;5-O-tert-butyl 2-O-ethyl 1H-imidazole-2,5-dicarboxylate;tert-butyl prop-2-ynoate;(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)methanamine;2-(chloromethyl)-6-cyclopropylimidazo[1,2-a]pyridine;1-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]-2-ethoxycarbonylimidazole-4-carboxylic acid;ethyl (2Z)-2-amino-2-hydroxyiminoacetate;ethyl 4-[(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)methylcarbamoyl]-1-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]imidazole-2-carboxylate;hydrochloride is sourced from PubChem (CID 172939537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).