benzyl 1-[[8-[[3-[[tert-butyl(diphenyl)silyl]oxymethyl]oxetan-3-yl]-hydroxymethyl]-6-cyclopropylimidazo[1,2-a]pyridin-2-yl]methyl]triazole-4-carboxylate;benzyl 1-[[6-cyclopropyl-8-[hydroxy-[3-(hydroxymethyl)oxetan-3-yl]methyl]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-[hydroxy-[3-(hydroxymethyl)oxetan-3-yl]methyl]imidazo[1,2-a]pyridin-2-yl]methyl]triazole-4-carboxamide;1-[[6-cyclopropyl-8-[hydroxy-[3-(hydroxymethyl)oxetan-3-yl]methyl]imidazo[1,2-a]pyridin-2-yl]methyl]triazole-4-carboxylic acid;hydrochloride

C122H127Cl3F2N26O19Si — CID 159497456

About benzyl 1-[[8-[[3-[[tert-butyl(diphenyl)silyl]oxymethyl]oxetan-3-yl]-hydroxymethyl]-6-cyclopropylimidazo[1,2-a]pyridin-2-yl]methyl]triazole-4-carboxylate;benzyl 1-[[6-cyclopropyl-8-[hydroxy-[3-(hydroxymethyl)oxetan-3-yl]methyl]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-[hydroxy-[3-(hydroxymethyl)oxetan-3-yl]methyl]imidazo[1,2-a]pyridin-2-yl]methyl]triazole-4-carboxamide;1-[[6-cyclopropyl-8-[hydroxy-[3-(hydroxymethyl)oxetan-3-yl]methyl]imidazo[1,2-a]pyridin-2-yl]methyl]triazole-4-carboxylic acid;hydrochloride

benzyl 1-[[8-[[3-[[tert-butyl(diphenyl)silyl]oxymethyl]oxetan-3-yl]-hydroxymethyl]-6-cyclopropylimidazo[1,2-a]pyridin-2-yl]methyl]triazole-4-carboxylate;benzyl 1-[[6-cyclopropyl-8-[hydroxy-[3-(hydroxymethyl)oxetan-3-yl]methyl]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-[hydroxy-[3-(hydroxymethyl)oxetan-3-yl]methyl]imidazo[1,2-a]pyridin-2-yl]methyl]triazole-4-carboxamide;1-[[6-cyclopropyl-8-[hydroxy-[3-(hydroxymethyl)oxetan-3-yl]methyl]imidazo[1,2-a]pyridin-2-yl]methyl]triazole-4-carboxylic acid;hydrochloride (PubChem CID 159497456) has the molecular formula C122H127Cl3F2N26O19Si and a molecular weight of 2433.96 g/mol. Its IUPAC name is benzyl 1-[[8-[[3-[[tert-butyl(diphenyl)silyl]oxymethyl]oxetan-3-yl]-hydroxymethyl]-6-cyclopropylimidazo[1,2-a]pyridin-2-yl]methyl]triazole-4-carboxylate;benzyl 1-[[6-cyclopropyl-8-[hydroxy-[3-(hydroxymethyl)oxetan-3-yl]methyl]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-[hydroxy-[3-(hydroxymethyl)oxetan-3-yl]methyl]imidazo[1,2-a]pyridin-2-yl]methyl]triazole-4-carboxamide;1-[[6-cyclopropyl-8-[hydroxy-[3-(hydroxymethyl)oxetan-3-yl]methyl]imidazo[1,2-a]pyridin-2-yl]methyl]triazole-4-carboxylic acid;hydrochloride.

Molecular Properties

• Compound Name: benzyl 1-[[8-[[3-[[tert-butyl(diphenyl)silyl]oxymethyl]oxetan-3-yl]-hydroxymethyl]-6-cyclopropylimidazo[1,2-a]pyridin-2-yl]methyl]triazole-4-carboxylate;benzyl 1-[[6-cyclopropyl-8-[hydroxy-[3-(hydroxymethyl)oxetan-3-yl]methyl]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-[hydroxy-[3-(hydroxymethyl)oxetan-3-yl]methyl]imidazo[1,2-a]pyridin-2-yl]methyl]triazole-4-carboxamide;1-[[6-cyclopropyl-8-[hydroxy-[3-(hydroxymethyl)oxetan-3-yl]methyl]imidazo[1,2-a]pyridin-2-yl]methyl]triazole-4-carboxylic acid;hydrochloride
• PubChem CID: 159497456
• Molecular Formula: C122H127Cl3F2N26O19Si
• Molecular Weight: 2433.96 g/mol
• Exact Mass: 2430.86
• IUPAC Name: benzyl 1-[[8-[[3-[[tert-butyl(diphenyl)silyl]oxymethyl]oxetan-3-yl]-hydroxymethyl]-6-cyclopropylimidazo[1,2-a]pyridin-2-yl]methyl]triazole-4-carboxylate;benzyl 1-[[6-cyclopropyl-8-[hydroxy-[3-(hydroxymethyl)oxetan-3-yl]methyl]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-[hydroxy-[3-(hydroxymethyl)oxetan-3-yl]methyl]imidazo[1,2-a]pyridin-2-yl]methyl]triazole-4-carboxamide;1-[[6-cyclopropyl-8-[hydroxy-[3-(hydroxymethyl)oxetan-3-yl]methyl]imidazo[1,2-a]pyridin-2-yl]methyl]triazole-4-carboxylic acid;hydrochloride
• SMILES: CC(C)(C)[Si](OCC1(C(O)c2cc(C3CC3)cn3cc(Cn4cc(C(=O)OCc5ccccc5)nn4)nc23)COC1)(c1ccccc1)c1ccccc1.Cl.NCc1ncn2ccc(Cl)c(F)c12.O=C(NCc1ncn2ccc(Cl)c(F)c12)c1cn(Cc2cn3cc(C4CC4)cc(C(O)C4(CO)COC4)c3n2)nn1.O=C(O)c1cn(Cc2cn3cc(C4CC4)cc(C(O)C4(CO)COC4)c3n2)nn1.O=C(OCc1ccccc1)c1cn(Cc2cn3cc(C4CC4)cc(C(O)C4(CO)COC4)c3n2)nn1
• InChI: InChI=1S/C42H45N5O5Si.C27H26ClFN8O4.C26H27N5O5.C19H21N5O5.C8H7ClFN3.ClH/c1-41(2,3)53(34-15-9-5-10-16-34,35-17-11-6-12-18-35)52-29-42(27-50-28-42)38(48)36-21-32(31-19-20-31)22-46-23-33(43-39(36)46)24-47-25-37(44-45-47)40(49)51-26-30-13-7-4-8-14-30;28-19-3-4-35-14-31-20(23(35)22(19)29)6-30-26(40)21-10-37(34-33-21)9-17-8-36-7-16(15-1-2-15)5-18(25(36)32-17)24(39)27(11-38)12-41-13-27;32-14-26(15-35-16-26)23(33)21-8-19(18-6-7-18)9-30-10-20(27-24(21)30)11-31-12-22(28-29-31)25(34)36-13-17-4-2-1-3-5-17;25-8-19(9-29-10-19)16(26)14-3-12(11-1-2-11)4-23-5-13(20-17(14)23)6-24-7-15(18(27)28)21-22-24;9-5-1-2-13-4-12-6(3-11)8(13)7(5)10;/h4-18,21-23,25,31,38,48H,19-20,24,26-29H2,1-3H3;3-5,7-8,10,14-15,24,38-39H,1-2,6,9,11-13H2,(H,30,40);1-5,8-10,12,18,23,32-33H,6-7,11,13-16H2;3-5,7,11,16,25-26H,1-2,6,8-10H2,(H,27,28);1-2,4H,3,11H2;1H
• InChIKey: OKSTXJWSXSNEDZ-UHFFFAOYSA-N
• XLogP: 12.95
• TPSA: 559.42 Ų
• H-Bond Donors: 10
• H-Bond Acceptors: 43
• Rotatable Bonds: 39
• Heavy Atoms: 173
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2433.96
LogP ≤ 5	12.95
H-Bond Donors ≤ 5	10
H-Bond Acceptors ≤ 10	43

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of benzyl 1-[[8-[[3-[[tert-butyl(diphenyl)silyl]oxymethyl]oxetan-3-yl]-hydroxymethyl]-6-cyclopropylimidazo[1,2-a]pyridin-2-yl]methyl]triazole-4-carboxylate;benzyl 1-[[6-cyclopropyl-8-[hydroxy-[3-(hydroxymethyl)oxetan-3-yl]methyl]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-[hydroxy-[3-(hydroxymethyl)oxetan-3-yl]methyl]imidazo[1,2-a]pyridin-2-yl]methyl]triazole-4-carboxamide;1-[[6-cyclopropyl-8-[hydroxy-[3-(hydroxymethyl)oxetan-3-yl]methyl]imidazo[1,2-a]pyridin-2-yl]methyl]triazole-4-carboxylic acid;hydrochloride?

The IUPAC name of benzyl 1-[[8-[[3-[[tert-butyl(diphenyl)silyl]oxymethyl]oxetan-3-yl]-hydroxymethyl]-6-cyclopropylimidazo[1,2-a]pyridin-2-yl]methyl]triazole-4-carboxylate;benzyl 1-[[6-cyclopropyl-8-[hydroxy-[3-(hydroxymethyl)oxetan-3-yl]methyl]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-[hydroxy-[3-(hydroxymethyl)oxetan-3-yl]methyl]imidazo[1,2-a]pyridin-2-yl]methyl]triazole-4-carboxamide;1-[[6-cyclopropyl-8-[hydroxy-[3-(hydroxymethyl)oxetan-3-yl]methyl]imidazo[1,2-a]pyridin-2-yl]methyl]triazole-4-carboxylic acid;hydrochloride (CID 159497456) is benzyl 1-[[8-[[3-[[tert-butyl(diphenyl)silyl]oxymethyl]oxetan-3-yl]-hydroxymethyl]-6-cyclopropylimidazo[1,2-a]pyridin-2-yl]methyl]triazole-4-carboxylate;benzyl 1-[[6-cyclopropyl-8-[hydroxy-[3-(hydroxymethyl)oxetan-3-yl]methyl]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-[hydroxy-[3-(hydroxymethyl)oxetan-3-yl]methyl]imidazo[1,2-a]pyridin-2-yl]methyl]triazole-4-carboxamide;1-[[6-cyclopropyl-8-[hydroxy-[3-(hydroxymethyl)oxetan-3-yl]methyl]imidazo[1,2-a]pyridin-2-yl]methyl]triazole-4-carboxylic acid;hydrochloride.

What is the SMILES notation for benzyl 1-[[8-[[3-[[tert-butyl(diphenyl)silyl]oxymethyl]oxetan-3-yl]-hydroxymethyl]-6-cyclopropylimidazo[1,2-a]pyridin-2-yl]methyl]triazole-4-carboxylate;benzyl 1-[[6-cyclopropyl-8-[hydroxy-[3-(hydroxymethyl)oxetan-3-yl]methyl]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-[hydroxy-[3-(hydroxymethyl)oxetan-3-yl]methyl]imidazo[1,2-a]pyridin-2-yl]methyl]triazole-4-carboxamide;1-[[6-cyclopropyl-8-[hydroxy-[3-(hydroxymethyl)oxetan-3-yl]methyl]imidazo[1,2-a]pyridin-2-yl]methyl]triazole-4-carboxylic acid;hydrochloride?

The canonical SMILES for benzyl 1-[[8-[[3-[[tert-butyl(diphenyl)silyl]oxymethyl]oxetan-3-yl]-hydroxymethyl]-6-cyclopropylimidazo[1,2-a]pyridin-2-yl]methyl]triazole-4-carboxylate;benzyl 1-[[6-cyclopropyl-8-[hydroxy-[3-(hydroxymethyl)oxetan-3-yl]methyl]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-[hydroxy-[3-(hydroxymethyl)oxetan-3-yl]methyl]imidazo[1,2-a]pyridin-2-yl]methyl]triazole-4-carboxamide;1-[[6-cyclopropyl-8-[hydroxy-[3-(hydroxymethyl)oxetan-3-yl]methyl]imidazo[1,2-a]pyridin-2-yl]methyl]triazole-4-carboxylic acid;hydrochloride is CC(C)(C)[Si](OCC1(C(O)c2cc(C3CC3)cn3cc(Cn4cc(C(=O)OCc5ccccc5)nn4)nc23)COC1)(c1ccccc1)c1ccccc1.Cl.NCc1ncn2ccc(Cl)c(F)c12.O=C(NCc1ncn2ccc(Cl)c(F)c12)c1cn(Cc2cn3cc(C4CC4)cc(C(O)C4(CO)COC4)c3n2)nn1.O=C(O)c1cn(Cc2cn3cc(C4CC4)cc(C(O)C4(CO)COC4)c3n2)nn1.O=C(OCc1ccccc1)c1cn(Cc2cn3cc(C4CC4)cc(C(O)C4(CO)COC4)c3n2)nn1.

What is the InChIKey of benzyl 1-[[8-[[3-[[tert-butyl(diphenyl)silyl]oxymethyl]oxetan-3-yl]-hydroxymethyl]-6-cyclopropylimidazo[1,2-a]pyridin-2-yl]methyl]triazole-4-carboxylate;benzyl 1-[[6-cyclopropyl-8-[hydroxy-[3-(hydroxymethyl)oxetan-3-yl]methyl]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-[hydroxy-[3-(hydroxymethyl)oxetan-3-yl]methyl]imidazo[1,2-a]pyridin-2-yl]methyl]triazole-4-carboxamide;1-[[6-cyclopropyl-8-[hydroxy-[3-(hydroxymethyl)oxetan-3-yl]methyl]imidazo[1,2-a]pyridin-2-yl]methyl]triazole-4-carboxylic acid;hydrochloride?

The InChIKey is OKSTXJWSXSNEDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H45N5O5Si.C27H26ClFN8O4.C26H27N5O5.C19H21N5O5.C8H7ClFN3.ClH/c1-41(2,3)53(34-15-9-5-10-16-34,35-17-11-6-12-18-35)52-29-42(27-50-28-42)38(48)36-21-32(31-19-20-31)22-46-23-33(43-39(36)46)24-47-25-37(44-45-47)40(49)51-26-30-13-7-4-8-14-30;28-19-3-4-35-14-31-20(23(35)22(19)29)6-30-26(40)21-10-37(34-33-21)9-17-8-36-7-16(15-1-2-15)5-18(25(36)32-17)24(39)27(11-38)12-41-13-27;32-14-26(15-35-16-26)23(33)21-8-19(18-6-7-18)9-30-10-20(27-24(21)30)11-31-12-22(28-29-31)25(34)36-13-17-4-2-1-3-5-17;25-8-19(9-29-10-19)16(26)14-3-12(11-1-2-11)4-23-5-13(20-17(14)23)6-24-7-15(18(27)28)21-22-24;9-5-1-2-13-4-12-6(3-11)8(13)7(5)10;/h4-18,21-23,25,31,38,48H,19-20,24,26-29H2,1-3H3;3-5,7-8,10,14-15,24,38-39H,1-2,6,9,11-13H2,(H,30,40);1-5,8-10,12,18,23,32-33H,6-7,11,13-16H2;3-5,7,11,16,25-26H,1-2,6,8-10H2,(H,27,28);1-2,4H,3,11H2;1H.

What are the key properties of benzyl 1-[[8-[[3-[[tert-butyl(diphenyl)silyl]oxymethyl]oxetan-3-yl]-hydroxymethyl]-6-cyclopropylimidazo[1,2-a]pyridin-2-yl]methyl]triazole-4-carboxylate;benzyl 1-[[6-cyclopropyl-8-[hydroxy-[3-(hydroxymethyl)oxetan-3-yl]methyl]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-[hydroxy-[3-(hydroxymethyl)oxetan-3-yl]methyl]imidazo[1,2-a]pyridin-2-yl]methyl]triazole-4-carboxamide;1-[[6-cyclopropyl-8-[hydroxy-[3-(hydroxymethyl)oxetan-3-yl]methyl]imidazo[1,2-a]pyridin-2-yl]methyl]triazole-4-carboxylic acid;hydrochloride?

benzyl 1-[[8-[[3-[[tert-butyl(diphenyl)silyl]oxymethyl]oxetan-3-yl]-hydroxymethyl]-6-cyclopropylimidazo[1,2-a]pyridin-2-yl]methyl]triazole-4-carboxylate;benzyl 1-[[6-cyclopropyl-8-[hydroxy-[3-(hydroxymethyl)oxetan-3-yl]methyl]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-[hydroxy-[3-(hydroxymethyl)oxetan-3-yl]methyl]imidazo[1,2-a]pyridin-2-yl]methyl]triazole-4-carboxamide;1-[[6-cyclopropyl-8-[hydroxy-[3-(hydroxymethyl)oxetan-3-yl]methyl]imidazo[1,2-a]pyridin-2-yl]methyl]triazole-4-carboxylic acid;hydrochloride has a molecular weight of 2433.96 g/mol, XLogP of 12.95, 39 rotatable bonds, 10 hydrogen bond donors, and 43 hydrogen bond acceptors.

Where does this data come from?

All data for benzyl 1-[[8-[[3-[[tert-butyl(diphenyl)silyl]oxymethyl]oxetan-3-yl]-hydroxymethyl]-6-cyclopropylimidazo[1,2-a]pyridin-2-yl]methyl]triazole-4-carboxylate;benzyl 1-[[6-cyclopropyl-8-[hydroxy-[3-(hydroxymethyl)oxetan-3-yl]methyl]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-[hydroxy-[3-(hydroxymethyl)oxetan-3-yl]methyl]imidazo[1,2-a]pyridin-2-yl]methyl]triazole-4-carboxamide;1-[[6-cyclopropyl-8-[hydroxy-[3-(hydroxymethyl)oxetan-3-yl]methyl]imidazo[1,2-a]pyridin-2-yl]methyl]triazole-4-carboxylic acid;hydrochloride is sourced from PubChem (CID 159497456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).