tert-butyl 1-[(8-bromo-6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]triazole-4-carboxylate;tert-butyl 1-[[6-cyclopropyl-8-(2-oxa-6-azaspiro[3.3]heptan-6-yl)imidazo[1,2-a]pyridin-2-yl]methyl]triazole-4-carboxylate;(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)methanamine;N-[(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)methyl]-1-[[6-cyclopropyl-8-(2-oxa-6-azaspiro[3.3]heptan-6-yl)imidazo[1,2-a]pyridin-2-yl]methyl]triazole-4-carboxamide;1-[[6-cyclopropyl-8-(2-oxa-6-azaspiro[3.3]heptan-6-yl)imidazo[1,2-a]pyridin-2-yl]methyl]triazole-4-carboxylic acid;2-oxa-6-azaspiro[3.3]heptane;hydrochloride

C100H110BrCl3F2N30O11 — CID 159165236

About tert-butyl 1-[(8-bromo-6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]triazole-4-carboxylate;tert-butyl 1-[[6-cyclopropyl-8-(2-oxa-6-azaspiro[3.3]heptan-6-yl)imidazo[1,2-a]pyridin-2-yl]methyl]triazole-4-carboxylate;(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)methanamine;N-[(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)methyl]-1-[[6-cyclopropyl-8-(2-oxa-6-azaspiro[3.3]heptan-6-yl)imidazo[1,2-a]pyridin-2-yl]methyl]triazole-4-carboxamide;1-[[6-cyclopropyl-8-(2-oxa-6-azaspiro[3.3]heptan-6-yl)imidazo[1,2-a]pyridin-2-yl]methyl]triazole-4-carboxylic acid;2-oxa-6-azaspiro[3.3]heptane;hydrochloride

tert-butyl 1-[(8-bromo-6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]triazole-4-carboxylate;tert-butyl 1-[[6-cyclopropyl-8-(2-oxa-6-azaspiro[3.3]heptan-6-yl)imidazo[1,2-a]pyridin-2-yl]methyl]triazole-4-carboxylate;(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)methanamine;N-[(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)methyl]-1-[[6-cyclopropyl-8-(2-oxa-6-azaspiro[3.3]heptan-6-yl)imidazo[1,2-a]pyridin-2-yl]methyl]triazole-4-carboxamide;1-[[6-cyclopropyl-8-(2-oxa-6-azaspiro[3.3]heptan-6-yl)imidazo[1,2-a]pyridin-2-yl]methyl]triazole-4-carboxylic acid;2-oxa-6-azaspiro[3.3]heptane;hydrochloride (PubChem CID 159165236) has the molecular formula C100H110BrCl3F2N30O11 and a molecular weight of 2132.44 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-[[6-cyclopropyl-8-(2-oxa-6-azaspiro[3.3]heptan-6-yl)imidazo[1,2-a]pyridin-2-yl]methyl]triazole-4-carboxylate;(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)methanamine;N-[(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)methyl]-1-[[6-cyclopropyl-8-(2-oxa-6-azaspiro[3.3]heptan-6-yl)imidazo[1,2-a]pyridin-2-yl]methyl]triazole-4-carboxamide;1-[[6-cyclopropyl-8-(2-oxa-6-azaspiro[3.3]heptan-6-yl)imidazo[1,2-a]pyridin-2-yl]methyl]triazole-4-carboxylic acid;2-oxa-6-azaspiro[3.3]heptane;hydrochloride.

Molecular Properties

• Compound Name: tert-butyl 1-[(8-bromo-6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]triazole-4-carboxylate;tert-butyl 1-[[6-cyclopropyl-8-(2-oxa-6-azaspiro[3.3]heptan-6-yl)imidazo[1,2-a]pyridin-2-yl]methyl]triazole-4-carboxylate;(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)methanamine;N-[(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)methyl]-1-[[6-cyclopropyl-8-(2-oxa-6-azaspiro[3.3]heptan-6-yl)imidazo[1,2-a]pyridin-2-yl]methyl]triazole-4-carboxamide;1-[[6-cyclopropyl-8-(2-oxa-6-azaspiro[3.3]heptan-6-yl)imidazo[1,2-a]pyridin-2-yl]methyl]triazole-4-carboxylic acid;2-oxa-6-azaspiro[3.3]heptane;hydrochloride
• PubChem CID: 159165236
• Molecular Formula: C100H110BrCl3F2N30O11
• Molecular Weight: 2132.44 g/mol
• Exact Mass: 2128.72
• IUPAC Name: tert-butyl 1-[(8-bromo-6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]triazole-4-carboxylate;tert-butyl 1-[[6-cyclopropyl-8-(2-oxa-6-azaspiro[3.3]heptan-6-yl)imidazo[1,2-a]pyridin-2-yl]methyl]triazole-4-carboxylate;(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)methanamine;N-[(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)methyl]-1-[[6-cyclopropyl-8-(2-oxa-6-azaspiro[3.3]heptan-6-yl)imidazo[1,2-a]pyridin-2-yl]methyl]triazole-4-carboxamide;1-[[6-cyclopropyl-8-(2-oxa-6-azaspiro[3.3]heptan-6-yl)imidazo[1,2-a]pyridin-2-yl]methyl]triazole-4-carboxylic acid;2-oxa-6-azaspiro[3.3]heptane;hydrochloride
• SMILES: C1NCC12COC2.CC(C)(C)OC(=O)c1cn(Cc2cn3cc(C4CC4)cc(Br)c3n2)nn1.CC(C)(C)OC(=O)c1cn(Cc2cn3cc(C4CC4)cc(N4CC5(COC5)C4)c3n2)nn1.Cl.NCc1ncn2ccc(Cl)c(F)c12.O=C(NCc1ncn2ccc(Cl)c(F)c12)c1cn(Cc2cn3cc(C4CC4)cc(N4CC5(COC5)C4)c3n2)nn1.O=C(O)c1cn(Cc2cn3cc(C4CC4)cc(N4CC5(COC5)C4)c3n2)nn1
• InChI: InChI=1S/C27H25ClFN9O2.C23H28N6O3.C19H20N6O3.C18H20BrN5O2.C8H7ClFN3.C5H9NO.ClH/c28-19-3-4-35-15-31-20(24(35)23(19)29)6-30-26(39)21-10-38(34-33-21)9-18-8-36-7-17(16-1-2-16)5-22(25(36)32-18)37-11-27(12-37)13-40-14-27;1-22(2,3)32-21(30)18-10-29(26-25-18)9-17-8-27-7-16(15-4-5-15)6-19(20(27)24-17)28-11-23(12-28)13-31-14-23;26-18(27)15-7-25(22-21-15)6-14-5-23-4-13(12-1-2-12)3-16(17(23)20-14)24-8-19(9-24)10-28-11-19;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;9-5-1-2-13-4-12-6(3-11)8(13)7(5)10;1-5(2-6-1)3-7-4-5;/h3-5,7-8,10,15-16H,1-2,6,9,11-14H2,(H,30,39);6-8,10,15H,4-5,9,11-14H2,1-3H3;3-5,7,12H,1-2,6,8-11H2,(H,26,27);6-8,10-11H,4-5,9H2,1-3H3;1-2,4H,3,11H2;6H,1-4H2;1H
• InChIKey: HDIFBKHHMPQNSF-UHFFFAOYSA-N
• XLogP: 12.27
• TPSA: 430.33 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 39
• Rotatable Bonds: 22
• Heavy Atoms: 147
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2132.44
LogP ≤ 5	12.27
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	39

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-[[6-cyclopropyl-8-(2-oxa-6-azaspiro[3.3]heptan-6-yl)imidazo[1,2-a]pyridin-2-yl]methyl]triazole-4-carboxylate;(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)methanamine;N-[(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)methyl]-1-[[6-cyclopropyl-8-(2-oxa-6-azaspiro[3.3]heptan-6-yl)imidazo[1,2-a]pyridin-2-yl]methyl]triazole-4-carboxamide;1-[[6-cyclopropyl-8-(2-oxa-6-azaspiro[3.3]heptan-6-yl)imidazo[1,2-a]pyridin-2-yl]methyl]triazole-4-carboxylic acid;2-oxa-6-azaspiro[3.3]heptane;hydrochloride?

The IUPAC name of tert-butyl 1-[(8-bromo-6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]triazole-4-carboxylate;tert-butyl 1-[[6-cyclopropyl-8-(2-oxa-6-azaspiro[3.3]heptan-6-yl)imidazo[1,2-a]pyridin-2-yl]methyl]triazole-4-carboxylate;(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)methanamine;N-[(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)methyl]-1-[[6-cyclopropyl-8-(2-oxa-6-azaspiro[3.3]heptan-6-yl)imidazo[1,2-a]pyridin-2-yl]methyl]triazole-4-carboxamide;1-[[6-cyclopropyl-8-(2-oxa-6-azaspiro[3.3]heptan-6-yl)imidazo[1,2-a]pyridin-2-yl]methyl]triazole-4-carboxylic acid;2-oxa-6-azaspiro[3.3]heptane;hydrochloride (CID 159165236) is tert-butyl 1-[(8-bromo-6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]triazole-4-carboxylate;tert-butyl 1-[[6-cyclopropyl-8-(2-oxa-6-azaspiro[3.3]heptan-6-yl)imidazo[1,2-a]pyridin-2-yl]methyl]triazole-4-carboxylate;(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)methanamine;N-[(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)methyl]-1-[[6-cyclopropyl-8-(2-oxa-6-azaspiro[3.3]heptan-6-yl)imidazo[1,2-a]pyridin-2-yl]methyl]triazole-4-carboxamide;1-[[6-cyclopropyl-8-(2-oxa-6-azaspiro[3.3]heptan-6-yl)imidazo[1,2-a]pyridin-2-yl]methyl]triazole-4-carboxylic acid;2-oxa-6-azaspiro[3.3]heptane;hydrochloride.

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-[[6-cyclopropyl-8-(2-oxa-6-azaspiro[3.3]heptan-6-yl)imidazo[1,2-a]pyridin-2-yl]methyl]triazole-4-carboxylate;(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)methanamine;N-[(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)methyl]-1-[[6-cyclopropyl-8-(2-oxa-6-azaspiro[3.3]heptan-6-yl)imidazo[1,2-a]pyridin-2-yl]methyl]triazole-4-carboxamide;1-[[6-cyclopropyl-8-(2-oxa-6-azaspiro[3.3]heptan-6-yl)imidazo[1,2-a]pyridin-2-yl]methyl]triazole-4-carboxylic acid;2-oxa-6-azaspiro[3.3]heptane;hydrochloride?

The canonical SMILES for tert-butyl 1-[(8-bromo-6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]triazole-4-carboxylate;tert-butyl 1-[[6-cyclopropyl-8-(2-oxa-6-azaspiro[3.3]heptan-6-yl)imidazo[1,2-a]pyridin-2-yl]methyl]triazole-4-carboxylate;(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)methanamine;N-[(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)methyl]-1-[[6-cyclopropyl-8-(2-oxa-6-azaspiro[3.3]heptan-6-yl)imidazo[1,2-a]pyridin-2-yl]methyl]triazole-4-carboxamide;1-[[6-cyclopropyl-8-(2-oxa-6-azaspiro[3.3]heptan-6-yl)imidazo[1,2-a]pyridin-2-yl]methyl]triazole-4-carboxylic acid;2-oxa-6-azaspiro[3.3]heptane;hydrochloride is C1NCC12COC2.CC(C)(C)OC(=O)c1cn(Cc2cn3cc(C4CC4)cc(Br)c3n2)nn1.CC(C)(C)OC(=O)c1cn(Cc2cn3cc(C4CC4)cc(N4CC5(COC5)C4)c3n2)nn1.Cl.NCc1ncn2ccc(Cl)c(F)c12.O=C(NCc1ncn2ccc(Cl)c(F)c12)c1cn(Cc2cn3cc(C4CC4)cc(N4CC5(COC5)C4)c3n2)nn1.O=C(O)c1cn(Cc2cn3cc(C4CC4)cc(N4CC5(COC5)C4)c3n2)nn1.

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-[[6-cyclopropyl-8-(2-oxa-6-azaspiro[3.3]heptan-6-yl)imidazo[1,2-a]pyridin-2-yl]methyl]triazole-4-carboxylate;(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)methanamine;N-[(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)methyl]-1-[[6-cyclopropyl-8-(2-oxa-6-azaspiro[3.3]heptan-6-yl)imidazo[1,2-a]pyridin-2-yl]methyl]triazole-4-carboxamide;1-[[6-cyclopropyl-8-(2-oxa-6-azaspiro[3.3]heptan-6-yl)imidazo[1,2-a]pyridin-2-yl]methyl]triazole-4-carboxylic acid;2-oxa-6-azaspiro[3.3]heptane;hydrochloride?

The InChIKey is HDIFBKHHMPQNSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H25ClFN9O2.C23H28N6O3.C19H20N6O3.C18H20BrN5O2.C8H7ClFN3.C5H9NO.ClH/c28-19-3-4-35-15-31-20(24(35)23(19)29)6-30-26(39)21-10-38(34-33-21)9-18-8-36-7-17(16-1-2-16)5-22(25(36)32-18)37-11-27(12-37)13-40-14-27;1-22(2,3)32-21(30)18-10-29(26-25-18)9-17-8-27-7-16(15-4-5-15)6-19(20(27)24-17)28-11-23(12-28)13-31-14-23;26-18(27)15-7-25(22-21-15)6-14-5-23-4-13(12-1-2-12)3-16(17(23)20-14)24-8-19(9-24)10-28-11-19;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;9-5-1-2-13-4-12-6(3-11)8(13)7(5)10;1-5(2-6-1)3-7-4-5;/h3-5,7-8,10,15-16H,1-2,6,9,11-14H2,(H,30,39);6-8,10,15H,4-5,9,11-14H2,1-3H3;3-5,7,12H,1-2,6,8-11H2,(H,26,27);6-8,10-11H,4-5,9H2,1-3H3;1-2,4H,3,11H2;6H,1-4H2;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-[[6-cyclopropyl-8-(2-oxa-6-azaspiro[3.3]heptan-6-yl)imidazo[1,2-a]pyridin-2-yl]methyl]triazole-4-carboxylate;(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)methanamine;N-[(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)methyl]-1-[[6-cyclopropyl-8-(2-oxa-6-azaspiro[3.3]heptan-6-yl)imidazo[1,2-a]pyridin-2-yl]methyl]triazole-4-carboxamide;1-[[6-cyclopropyl-8-(2-oxa-6-azaspiro[3.3]heptan-6-yl)imidazo[1,2-a]pyridin-2-yl]methyl]triazole-4-carboxylic acid;2-oxa-6-azaspiro[3.3]heptane;hydrochloride?

tert-butyl 1-[(8-bromo-6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]triazole-4-carboxylate;tert-butyl 1-[[6-cyclopropyl-8-(2-oxa-6-azaspiro[3.3]heptan-6-yl)imidazo[1,2-a]pyridin-2-yl]methyl]triazole-4-carboxylate;(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)methanamine;N-[(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)methyl]-1-[[6-cyclopropyl-8-(2-oxa-6-azaspiro[3.3]heptan-6-yl)imidazo[1,2-a]pyridin-2-yl]methyl]triazole-4-carboxamide;1-[[6-cyclopropyl-8-(2-oxa-6-azaspiro[3.3]heptan-6-yl)imidazo[1,2-a]pyridin-2-yl]methyl]triazole-4-carboxylic acid;2-oxa-6-azaspiro[3.3]heptane;hydrochloride has a molecular weight of 2132.44 g/mol, XLogP of 12.27, 22 rotatable bonds, 4 hydrogen bond donors, and 39 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-[[6-cyclopropyl-8-(2-oxa-6-azaspiro[3.3]heptan-6-yl)imidazo[1,2-a]pyridin-2-yl]methyl]triazole-4-carboxylate;(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)methanamine;N-[(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)methyl]-1-[[6-cyclopropyl-8-(2-oxa-6-azaspiro[3.3]heptan-6-yl)imidazo[1,2-a]pyridin-2-yl]methyl]triazole-4-carboxamide;1-[[6-cyclopropyl-8-(2-oxa-6-azaspiro[3.3]heptan-6-yl)imidazo[1,2-a]pyridin-2-yl]methyl]triazole-4-carboxylic acid;2-oxa-6-azaspiro[3.3]heptane;hydrochloride is sourced from PubChem (CID 159165236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).