tert-butyl 1-[(8-bromo-6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]triazole-4-carboxylate;tert-butyl 1-[(8-cyano-6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]triazole-4-carboxylate;tert-butyl 1-[[6-cyclopropyl-8-(2H-tetrazol-5-yl)imidazo[1,2-a]pyridin-2-yl]methyl]triazole-4-carboxylate;3-(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)-1-[1-[[6-cyclopropyl-8-(2H-tetrazol-5-yl)imidazo[1,2-a]pyridin-2-yl]methyl]triazol-4-yl]propan-1-one;(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)methanamine;1-[[6-cyclopropyl-8-(2H-tetrazol-5-yl)imidazo[1,2-a]pyridin-2-yl]methyl]triazole-4-carboxylic acid;2,2,2-trifluoroacetaldehyde

C105H101BrCl2F5N43O10 — CID 158929164

About tert-butyl 1-[(8-bromo-6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]triazole-4-carboxylate;tert-butyl 1-[(8-cyano-6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]triazole-4-carboxylate;tert-butyl 1-[[6-cyclopropyl-8-(2H-tetrazol-5-yl)imidazo[1,2-a]pyridin-2-yl]methyl]triazole-4-carboxylate;3-(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)-1-[1-[[6-cyclopropyl-8-(2H-tetrazol-5-yl)imidazo[1,2-a]pyridin-2-yl]methyl]triazol-4-yl]propan-1-one;(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)methanamine;1-[[6-cyclopropyl-8-(2H-tetrazol-5-yl)imidazo[1,2-a]pyridin-2-yl]methyl]triazole-4-carboxylic acid;2,2,2-trifluoroacetaldehyde

tert-butyl 1-[(8-bromo-6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]triazole-4-carboxylate;tert-butyl 1-[(8-cyano-6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]triazole-4-carboxylate;tert-butyl 1-[[6-cyclopropyl-8-(2H-tetrazol-5-yl)imidazo[1,2-a]pyridin-2-yl]methyl]triazole-4-carboxylate;3-(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)-1-[1-[[6-cyclopropyl-8-(2H-tetrazol-5-yl)imidazo[1,2-a]pyridin-2-yl]methyl]triazol-4-yl]propan-1-one;(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)methanamine;1-[[6-cyclopropyl-8-(2H-tetrazol-5-yl)imidazo[1,2-a]pyridin-2-yl]methyl]triazole-4-carboxylic acid;2,2,2-trifluoroacetaldehyde (PubChem CID 158929164) has the molecular formula C105H101BrCl2F5N43O10 and a molecular weight of 2371.05 g/mol. Its IUPAC name is tert-butyl 1-[(8-bromo-6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]triazole-4-carboxylate;tert-butyl 1-[(8-cyano-6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]triazole-4-carboxylate;tert-butyl 1-[[6-cyclopropyl-8-(2H-tetrazol-5-yl)imidazo[1,2-a]pyridin-2-yl]methyl]triazole-4-carboxylate;3-(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)-1-[1-[[6-cyclopropyl-8-(2H-tetrazol-5-yl)imidazo[1,2-a]pyridin-2-yl]methyl]triazol-4-yl]propan-1-one;(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)methanamine;1-[[6-cyclopropyl-8-(2H-tetrazol-5-yl)imidazo[1,2-a]pyridin-2-yl]methyl]triazole-4-carboxylic acid;2,2,2-trifluoroacetaldehyde.

Molecular Properties

• Compound Name: tert-butyl 1-[(8-bromo-6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]triazole-4-carboxylate;tert-butyl 1-[(8-cyano-6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]triazole-4-carboxylate;tert-butyl 1-[[6-cyclopropyl-8-(2H-tetrazol-5-yl)imidazo[1,2-a]pyridin-2-yl]methyl]triazole-4-carboxylate;3-(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)-1-[1-[[6-cyclopropyl-8-(2H-tetrazol-5-yl)imidazo[1,2-a]pyridin-2-yl]methyl]triazol-4-yl]propan-1-one;(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)methanamine;1-[[6-cyclopropyl-8-(2H-tetrazol-5-yl)imidazo[1,2-a]pyridin-2-yl]methyl]triazole-4-carboxylic acid;2,2,2-trifluoroacetaldehyde
• PubChem CID: 158929164
• Molecular Formula: C105H101BrCl2F5N43O10
• Molecular Weight: 2371.05 g/mol
• Exact Mass: 2367.72
• IUPAC Name: tert-butyl 1-[(8-bromo-6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]triazole-4-carboxylate;tert-butyl 1-[(8-cyano-6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]triazole-4-carboxylate;tert-butyl 1-[[6-cyclopropyl-8-(2H-tetrazol-5-yl)imidazo[1,2-a]pyridin-2-yl]methyl]triazole-4-carboxylate;3-(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)-1-[1-[[6-cyclopropyl-8-(2H-tetrazol-5-yl)imidazo[1,2-a]pyridin-2-yl]methyl]triazol-4-yl]propan-1-one;(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)methanamine;1-[[6-cyclopropyl-8-(2H-tetrazol-5-yl)imidazo[1,2-a]pyridin-2-yl]methyl]triazole-4-carboxylic acid;2,2,2-trifluoroacetaldehyde
• SMILES: CC(C)(C)OC(=O)c1cn(Cc2cn3cc(C4CC4)cc(-c4nn[nH]n4)c3n2)nn1.CC(C)(C)OC(=O)c1cn(Cc2cn3cc(C4CC4)cc(Br)c3n2)nn1.CC(C)(C)OC(=O)c1cn(Cc2cn3cc(C4CC4)cc(C#N)c3n2)nn1.NCc1ncn2ccc(Cl)c(F)c12.O=C(CCc1ncn2ccc(Cl)c(F)c12)c1cn(Cc2cn3cc(C4CC4)cc(-c4nn[nH]n4)c3n2)nn1.O=C(O)c1cn(Cc2cn3cc(C4CC4)cc(-c4nn[nH]n4)c3n2)nn1.O=CC(F)(F)F
• InChI: InChI=1S/C24H19ClFN11O.C19H21N9O2.C19H20N6O2.C18H20BrN5O2.C15H13N9O2.C8H7ClFN3.C2HF3O/c25-17-5-6-35-12-27-18(22(35)21(17)26)3-4-20(38)19-11-37(34-29-19)10-15-9-36-8-14(13-1-2-13)7-16(24(36)28-15)23-30-32-33-31-23;1-19(2,3)30-18(29)15-10-28(26-21-15)9-13-8-27-7-12(11-4-5-11)6-14(17(27)20-13)16-22-24-25-23-16;1-19(2,3)27-18(26)16-11-25(23-22-16)10-15-9-24-8-14(12-4-5-12)6-13(7-20)17(24)21-15;1-18(2,3)26-17(25)15-10-24(22-21-15)9-13-8-23-7-12(11-4-5-11)6-14(19)16(23)20-13;25-15(26)12-7-24(22-17-12)6-10-5-23-4-9(8-1-2-8)3-11(14(23)16-10)13-18-20-21-19-13;9-5-1-2-13-4-12-6(3-11)8(13)7(5)10;3-2(4,5)1-6/h5-9,11-13H,1-4,10H2,(H,30,31,32,33);6-8,10-11H,4-5,9H2,1-3H3,(H,22,23,24,25);6,8-9,11-12H,4-5,10H2,1-3H3;6-8,10-11H,4-5,9H2,1-3H3;3-5,7-8H,1-2,6H2,(H,25,26)(H,18,19,20,21);1-2,4H,3,11H2;1H
• InChIKey: JIVBFPPNPAJMBC-UHFFFAOYSA-N
• XLogP: 14.58
• TPSA: 638.18 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 49
• Rotatable Bonds: 27
• Heavy Atoms: 166
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2371.05
LogP ≤ 5	14.58
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	49

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'aldehyde', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of tert-butyl 1-[(8-bromo-6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]triazole-4-carboxylate;tert-butyl 1-[(8-cyano-6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]triazole-4-carboxylate;tert-butyl 1-[[6-cyclopropyl-8-(2H-tetrazol-5-yl)imidazo[1,2-a]pyridin-2-yl]methyl]triazole-4-carboxylate;3-(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)-1-[1-[[6-cyclopropyl-8-(2H-tetrazol-5-yl)imidazo[1,2-a]pyridin-2-yl]methyl]triazol-4-yl]propan-1-one;(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)methanamine;1-[[6-cyclopropyl-8-(2H-tetrazol-5-yl)imidazo[1,2-a]pyridin-2-yl]methyl]triazole-4-carboxylic acid;2,2,2-trifluoroacetaldehyde?

The IUPAC name of tert-butyl 1-[(8-bromo-6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]triazole-4-carboxylate;tert-butyl 1-[(8-cyano-6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]triazole-4-carboxylate;tert-butyl 1-[[6-cyclopropyl-8-(2H-tetrazol-5-yl)imidazo[1,2-a]pyridin-2-yl]methyl]triazole-4-carboxylate;3-(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)-1-[1-[[6-cyclopropyl-8-(2H-tetrazol-5-yl)imidazo[1,2-a]pyridin-2-yl]methyl]triazol-4-yl]propan-1-one;(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)methanamine;1-[[6-cyclopropyl-8-(2H-tetrazol-5-yl)imidazo[1,2-a]pyridin-2-yl]methyl]triazole-4-carboxylic acid;2,2,2-trifluoroacetaldehyde (CID 158929164) is tert-butyl 1-[(8-bromo-6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]triazole-4-carboxylate;tert-butyl 1-[(8-cyano-6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]triazole-4-carboxylate;tert-butyl 1-[[6-cyclopropyl-8-(2H-tetrazol-5-yl)imidazo[1,2-a]pyridin-2-yl]methyl]triazole-4-carboxylate;3-(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)-1-[1-[[6-cyclopropyl-8-(2H-tetrazol-5-yl)imidazo[1,2-a]pyridin-2-yl]methyl]triazol-4-yl]propan-1-one;(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)methanamine;1-[[6-cyclopropyl-8-(2H-tetrazol-5-yl)imidazo[1,2-a]pyridin-2-yl]methyl]triazole-4-carboxylic acid;2,2,2-trifluoroacetaldehyde.

What is the SMILES notation for tert-butyl 1-[(8-bromo-6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]triazole-4-carboxylate;tert-butyl 1-[(8-cyano-6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]triazole-4-carboxylate;tert-butyl 1-[[6-cyclopropyl-8-(2H-tetrazol-5-yl)imidazo[1,2-a]pyridin-2-yl]methyl]triazole-4-carboxylate;3-(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)-1-[1-[[6-cyclopropyl-8-(2H-tetrazol-5-yl)imidazo[1,2-a]pyridin-2-yl]methyl]triazol-4-yl]propan-1-one;(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)methanamine;1-[[6-cyclopropyl-8-(2H-tetrazol-5-yl)imidazo[1,2-a]pyridin-2-yl]methyl]triazole-4-carboxylic acid;2,2,2-trifluoroacetaldehyde?

The canonical SMILES for tert-butyl 1-[(8-bromo-6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]triazole-4-carboxylate;tert-butyl 1-[(8-cyano-6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]triazole-4-carboxylate;tert-butyl 1-[[6-cyclopropyl-8-(2H-tetrazol-5-yl)imidazo[1,2-a]pyridin-2-yl]methyl]triazole-4-carboxylate;3-(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)-1-[1-[[6-cyclopropyl-8-(2H-tetrazol-5-yl)imidazo[1,2-a]pyridin-2-yl]methyl]triazol-4-yl]propan-1-one;(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)methanamine;1-[[6-cyclopropyl-8-(2H-tetrazol-5-yl)imidazo[1,2-a]pyridin-2-yl]methyl]triazole-4-carboxylic acid;2,2,2-trifluoroacetaldehyde is CC(C)(C)OC(=O)c1cn(Cc2cn3cc(C4CC4)cc(-c4nn[nH]n4)c3n2)nn1.CC(C)(C)OC(=O)c1cn(Cc2cn3cc(C4CC4)cc(Br)c3n2)nn1.CC(C)(C)OC(=O)c1cn(Cc2cn3cc(C4CC4)cc(C#N)c3n2)nn1.NCc1ncn2ccc(Cl)c(F)c12.O=C(CCc1ncn2ccc(Cl)c(F)c12)c1cn(Cc2cn3cc(C4CC4)cc(-c4nn[nH]n4)c3n2)nn1.O=C(O)c1cn(Cc2cn3cc(C4CC4)cc(-c4nn[nH]n4)c3n2)nn1.O=CC(F)(F)F.

What is the InChIKey of tert-butyl 1-[(8-bromo-6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]triazole-4-carboxylate;tert-butyl 1-[(8-cyano-6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]triazole-4-carboxylate;tert-butyl 1-[[6-cyclopropyl-8-(2H-tetrazol-5-yl)imidazo[1,2-a]pyridin-2-yl]methyl]triazole-4-carboxylate;3-(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)-1-[1-[[6-cyclopropyl-8-(2H-tetrazol-5-yl)imidazo[1,2-a]pyridin-2-yl]methyl]triazol-4-yl]propan-1-one;(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)methanamine;1-[[6-cyclopropyl-8-(2H-tetrazol-5-yl)imidazo[1,2-a]pyridin-2-yl]methyl]triazole-4-carboxylic acid;2,2,2-trifluoroacetaldehyde?

The InChIKey is JIVBFPPNPAJMBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19ClFN11O.C19H21N9O2.C19H20N6O2.C18H20BrN5O2.C15H13N9O2.C8H7ClFN3.C2HF3O/c25-17-5-6-35-12-27-18(22(35)21(17)26)3-4-20(38)19-11-37(34-29-19)10-15-9-36-8-14(13-1-2-13)7-16(24(36)28-15)23-30-32-33-31-23;1-19(2,3)30-18(29)15-10-28(26-21-15)9-13-8-27-7-12(11-4-5-11)6-14(17(27)20-13)16-22-24-25-23-16;1-19(2,3)27-18(26)16-11-25(23-22-16)10-15-9-24-8-14(12-4-5-12)6-13(7-20)17(24)21-15;1-18(2,3)26-17(25)15-10-24(22-21-15)9-13-8-23-7-12(11-4-5-11)6-14(19)16(23)20-13;25-15(26)12-7-24(22-17-12)6-10-5-23-4-9(8-1-2-8)3-11(14(23)16-10)13-18-20-21-19-13;9-5-1-2-13-4-12-6(3-11)8(13)7(5)10;3-2(4,5)1-6/h5-9,11-13H,1-4,10H2,(H,30,31,32,33);6-8,10-11H,4-5,9H2,1-3H3,(H,22,23,24,25);6,8-9,11-12H,4-5,10H2,1-3H3;6-8,10-11H,4-5,9H2,1-3H3;3-5,7-8H,1-2,6H2,(H,25,26)(H,18,19,20,21);1-2,4H,3,11H2;1H.

What are the key properties of tert-butyl 1-[(8-bromo-6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]triazole-4-carboxylate;tert-butyl 1-[(8-cyano-6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]triazole-4-carboxylate;tert-butyl 1-[[6-cyclopropyl-8-(2H-tetrazol-5-yl)imidazo[1,2-a]pyridin-2-yl]methyl]triazole-4-carboxylate;3-(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)-1-[1-[[6-cyclopropyl-8-(2H-tetrazol-5-yl)imidazo[1,2-a]pyridin-2-yl]methyl]triazol-4-yl]propan-1-one;(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)methanamine;1-[[6-cyclopropyl-8-(2H-tetrazol-5-yl)imidazo[1,2-a]pyridin-2-yl]methyl]triazole-4-carboxylic acid;2,2,2-trifluoroacetaldehyde?

tert-butyl 1-[(8-bromo-6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]triazole-4-carboxylate;tert-butyl 1-[(8-cyano-6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]triazole-4-carboxylate;tert-butyl 1-[[6-cyclopropyl-8-(2H-tetrazol-5-yl)imidazo[1,2-a]pyridin-2-yl]methyl]triazole-4-carboxylate;3-(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)-1-[1-[[6-cyclopropyl-8-(2H-tetrazol-5-yl)imidazo[1,2-a]pyridin-2-yl]methyl]triazol-4-yl]propan-1-one;(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)methanamine;1-[[6-cyclopropyl-8-(2H-tetrazol-5-yl)imidazo[1,2-a]pyridin-2-yl]methyl]triazole-4-carboxylic acid;2,2,2-trifluoroacetaldehyde has a molecular weight of 2371.05 g/mol, XLogP of 14.58, 27 rotatable bonds, 5 hydrogen bond donors, and 49 hydrogen bond acceptors.

Where does this data come from?

All data for tert-butyl 1-[(8-bromo-6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]triazole-4-carboxylate;tert-butyl 1-[(8-cyano-6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]triazole-4-carboxylate;tert-butyl 1-[[6-cyclopropyl-8-(2H-tetrazol-5-yl)imidazo[1,2-a]pyridin-2-yl]methyl]triazole-4-carboxylate;3-(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)-1-[1-[[6-cyclopropyl-8-(2H-tetrazol-5-yl)imidazo[1,2-a]pyridin-2-yl]methyl]triazol-4-yl]propan-1-one;(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)methanamine;1-[[6-cyclopropyl-8-(2H-tetrazol-5-yl)imidazo[1,2-a]pyridin-2-yl]methyl]triazole-4-carboxylic acid;2,2,2-trifluoroacetaldehyde is sourced from PubChem (CID 158929164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).