tert-butyl 1-[(8-bromo-6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]triazole-4-carboxylate;(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)methanamine;1-[[6-cyclopropyl-8-(2-ethoxycarbonylmorpholin-4-yl)imidazo[1,2-a]pyridin-2-yl]methyl]triazole-4-carboxylic acid;ethyl 4-[2-[[4-[(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)methylcarbamoyl]triazol-1-yl]methyl]-6-cyclopropylimidazo[1,2-a]pyridin-8-yl]morpholine-2-carboxylate;ethyl 4-[6-cyclopropyl-2-[[4-[(2-methylpropan-2-yl)oxycarbonyl]triazol-1-yl]methyl]imidazo[1,2-a]pyridin-8-yl]morpholine-2-carboxylate;ethyl morpholine-2-carboxylate

C108H125BrCl2F2N30O19 — CID 161471285

About tert-butyl 1-[(8-bromo-6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]triazole-4-carboxylate;(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)methanamine;1-[[6-cyclopropyl-8-(2-ethoxycarbonylmorpholin-4-yl)imidazo[1,2-a]pyridin-2-yl]methyl]triazole-4-carboxylic acid;ethyl 4-[2-[[4-[(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)methylcarbamoyl]triazol-1-yl]methyl]-6-cyclopropylimidazo[1,2-a]pyridin-8-yl]morpholine-2-carboxylate;ethyl 4-[6-cyclopropyl-2-[[4-[(2-methylpropan-2-yl)oxycarbonyl]triazol-1-yl]methyl]imidazo[1,2-a]pyridin-8-yl]morpholine-2-carboxylate;ethyl morpholine-2-carboxylate

tert-butyl 1-[(8-bromo-6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]triazole-4-carboxylate;(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)methanamine;1-[[6-cyclopropyl-8-(2-ethoxycarbonylmorpholin-4-yl)imidazo[1,2-a]pyridin-2-yl]methyl]triazole-4-carboxylic acid;ethyl 4-[2-[[4-[(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)methylcarbamoyl]triazol-1-yl]methyl]-6-cyclopropylimidazo[1,2-a]pyridin-8-yl]morpholine-2-carboxylate;ethyl 4-[6-cyclopropyl-2-[[4-[(2-methylpropan-2-yl)oxycarbonyl]triazol-1-yl]methyl]imidazo[1,2-a]pyridin-8-yl]morpholine-2-carboxylate;ethyl morpholine-2-carboxylate (PubChem CID 161471285) has the molecular formula C108H125BrCl2F2N30O19 and a molecular weight of 2336.18 g/mol. Its IUPAC name is tert-butyl 1-[(8-bromo-6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]triazole-4-carboxylate;(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)methanamine;1-[[6-cyclopropyl-8-(2-ethoxycarbonylmorpholin-4-yl)imidazo[1,2-a]pyridin-2-yl]methyl]triazole-4-carboxylic acid;ethyl 4-[2-[[4-[(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)methylcarbamoyl]triazol-1-yl]methyl]-6-cyclopropylimidazo[1,2-a]pyridin-8-yl]morpholine-2-carboxylate;ethyl 4-[6-cyclopropyl-2-[[4-[(2-methylpropan-2-yl)oxycarbonyl]triazol-1-yl]methyl]imidazo[1,2-a]pyridin-8-yl]morpholine-2-carboxylate;ethyl morpholine-2-carboxylate.

Molecular Properties

• Compound Name: tert-butyl 1-[(8-bromo-6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]triazole-4-carboxylate;(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)methanamine;1-[[6-cyclopropyl-8-(2-ethoxycarbonylmorpholin-4-yl)imidazo[1,2-a]pyridin-2-yl]methyl]triazole-4-carboxylic acid;ethyl 4-[2-[[4-[(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)methylcarbamoyl]triazol-1-yl]methyl]-6-cyclopropylimidazo[1,2-a]pyridin-8-yl]morpholine-2-carboxylate;ethyl 4-[6-cyclopropyl-2-[[4-[(2-methylpropan-2-yl)oxycarbonyl]triazol-1-yl]methyl]imidazo[1,2-a]pyridin-8-yl]morpholine-2-carboxylate;ethyl morpholine-2-carboxylate
• PubChem CID: 161471285
• Molecular Formula: C108H125BrCl2F2N30O19
• Molecular Weight: 2336.18 g/mol
• Exact Mass: 2332.83
• IUPAC Name: tert-butyl 1-[(8-bromo-6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]triazole-4-carboxylate;(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)methanamine;1-[[6-cyclopropyl-8-(2-ethoxycarbonylmorpholin-4-yl)imidazo[1,2-a]pyridin-2-yl]methyl]triazole-4-carboxylic acid;ethyl 4-[2-[[4-[(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)methylcarbamoyl]triazol-1-yl]methyl]-6-cyclopropylimidazo[1,2-a]pyridin-8-yl]morpholine-2-carboxylate;ethyl 4-[6-cyclopropyl-2-[[4-[(2-methylpropan-2-yl)oxycarbonyl]triazol-1-yl]methyl]imidazo[1,2-a]pyridin-8-yl]morpholine-2-carboxylate;ethyl morpholine-2-carboxylate
• SMILES: CC(C)(C)OC(=O)c1cn(Cc2cn3cc(C4CC4)cc(Br)c3n2)nn1.CCOC(=O)C1CN(c2cc(C3CC3)cn3cc(Cn4cc(C(=O)NCc5ncn6ccc(Cl)c(F)c56)nn4)nc23)CCO1.CCOC(=O)C1CN(c2cc(C3CC3)cn3cc(Cn4cc(C(=O)O)nn4)nc23)CCO1.CCOC(=O)C1CN(c2cc(C3CC3)cn3cc(Cn4cc(C(=O)OC(C)(C)C)nn4)nc23)CCO1.CCOC(=O)C1CNCCO1.NCc1ncn2ccc(Cl)c(F)c12
• InChI: InChI=1S/C29H29ClFN9O4.C25H32N6O5.C21H24N6O5.C18H20BrN5O2.C8H7ClFN3.C7H13NO3/c1-2-43-29(42)24-15-37(7-8-44-24)23-9-18(17-3-4-17)11-39-12-19(34-27(23)39)13-40-14-22(35-36-40)28(41)32-10-21-26-25(31)20(30)5-6-38(26)16-33-21;1-5-34-24(33)21-15-29(8-9-35-21)20-10-17(16-6-7-16)11-30-12-18(26-22(20)30)13-31-14-19(27-28-31)23(32)36-25(2,3)4;1-2-31-21(30)18-12-25(5-6-32-18)17-7-14(13-3-4-13)8-26-9-15(22-19(17)26)10-27-11-16(20(28)29)23-24-27;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;1-2-10-7(9)6-5-8-3-4-11-6/h5-6,9,11-12,14,16-17,24H,2-4,7-8,10,13,15H2,1H3,(H,32,41);10-12,14,16,21H,5-9,13,15H2,1-4H3;7-9,11,13,18H,2-6,10,12H2,1H3,(H,28,29);6-8,10-11H,4-5,9H2,1-3H3;1-2,4H,3,11H2;6,8H,2-5H2,1H3
• InChIKey: WDCRXVRMFBEYBZ-UHFFFAOYSA-N
• XLogP: 11.58
• TPSA: 535.53 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 47
• Rotatable Bonds: 30
• Heavy Atoms: 162
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2336.18
LogP ≤ 5	11.58
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	47

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '>_2_ester_groups', '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;(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)methanamine;1-[[6-cyclopropyl-8-(2-ethoxycarbonylmorpholin-4-yl)imidazo[1,2-a]pyridin-2-yl]methyl]triazole-4-carboxylic acid;ethyl 4-[2-[[4-[(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)methylcarbamoyl]triazol-1-yl]methyl]-6-cyclopropylimidazo[1,2-a]pyridin-8-yl]morpholine-2-carboxylate;ethyl 4-[6-cyclopropyl-2-[[4-[(2-methylpropan-2-yl)oxycarbonyl]triazol-1-yl]methyl]imidazo[1,2-a]pyridin-8-yl]morpholine-2-carboxylate;ethyl morpholine-2-carboxylate?

The IUPAC name of tert-butyl 1-[(8-bromo-6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]triazole-4-carboxylate;(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)methanamine;1-[[6-cyclopropyl-8-(2-ethoxycarbonylmorpholin-4-yl)imidazo[1,2-a]pyridin-2-yl]methyl]triazole-4-carboxylic acid;ethyl 4-[2-[[4-[(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)methylcarbamoyl]triazol-1-yl]methyl]-6-cyclopropylimidazo[1,2-a]pyridin-8-yl]morpholine-2-carboxylate;ethyl 4-[6-cyclopropyl-2-[[4-[(2-methylpropan-2-yl)oxycarbonyl]triazol-1-yl]methyl]imidazo[1,2-a]pyridin-8-yl]morpholine-2-carboxylate;ethyl morpholine-2-carboxylate (CID 161471285) is tert-butyl 1-[(8-bromo-6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]triazole-4-carboxylate;(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)methanamine;1-[[6-cyclopropyl-8-(2-ethoxycarbonylmorpholin-4-yl)imidazo[1,2-a]pyridin-2-yl]methyl]triazole-4-carboxylic acid;ethyl 4-[2-[[4-[(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)methylcarbamoyl]triazol-1-yl]methyl]-6-cyclopropylimidazo[1,2-a]pyridin-8-yl]morpholine-2-carboxylate;ethyl 4-[6-cyclopropyl-2-[[4-[(2-methylpropan-2-yl)oxycarbonyl]triazol-1-yl]methyl]imidazo[1,2-a]pyridin-8-yl]morpholine-2-carboxylate;ethyl morpholine-2-carboxylate.

What is the SMILES notation for tert-butyl 1-[(8-bromo-6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]triazole-4-carboxylate;(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)methanamine;1-[[6-cyclopropyl-8-(2-ethoxycarbonylmorpholin-4-yl)imidazo[1,2-a]pyridin-2-yl]methyl]triazole-4-carboxylic acid;ethyl 4-[2-[[4-[(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)methylcarbamoyl]triazol-1-yl]methyl]-6-cyclopropylimidazo[1,2-a]pyridin-8-yl]morpholine-2-carboxylate;ethyl 4-[6-cyclopropyl-2-[[4-[(2-methylpropan-2-yl)oxycarbonyl]triazol-1-yl]methyl]imidazo[1,2-a]pyridin-8-yl]morpholine-2-carboxylate;ethyl morpholine-2-carboxylate?

The canonical SMILES for tert-butyl 1-[(8-bromo-6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]triazole-4-carboxylate;(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)methanamine;1-[[6-cyclopropyl-8-(2-ethoxycarbonylmorpholin-4-yl)imidazo[1,2-a]pyridin-2-yl]methyl]triazole-4-carboxylic acid;ethyl 4-[2-[[4-[(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)methylcarbamoyl]triazol-1-yl]methyl]-6-cyclopropylimidazo[1,2-a]pyridin-8-yl]morpholine-2-carboxylate;ethyl 4-[6-cyclopropyl-2-[[4-[(2-methylpropan-2-yl)oxycarbonyl]triazol-1-yl]methyl]imidazo[1,2-a]pyridin-8-yl]morpholine-2-carboxylate;ethyl morpholine-2-carboxylate is CC(C)(C)OC(=O)c1cn(Cc2cn3cc(C4CC4)cc(Br)c3n2)nn1.CCOC(=O)C1CN(c2cc(C3CC3)cn3cc(Cn4cc(C(=O)NCc5ncn6ccc(Cl)c(F)c56)nn4)nc23)CCO1.CCOC(=O)C1CN(c2cc(C3CC3)cn3cc(Cn4cc(C(=O)O)nn4)nc23)CCO1.CCOC(=O)C1CN(c2cc(C3CC3)cn3cc(Cn4cc(C(=O)OC(C)(C)C)nn4)nc23)CCO1.CCOC(=O)C1CNCCO1.NCc1ncn2ccc(Cl)c(F)c12.

What is the InChIKey of tert-butyl 1-[(8-bromo-6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]triazole-4-carboxylate;(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)methanamine;1-[[6-cyclopropyl-8-(2-ethoxycarbonylmorpholin-4-yl)imidazo[1,2-a]pyridin-2-yl]methyl]triazole-4-carboxylic acid;ethyl 4-[2-[[4-[(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)methylcarbamoyl]triazol-1-yl]methyl]-6-cyclopropylimidazo[1,2-a]pyridin-8-yl]morpholine-2-carboxylate;ethyl 4-[6-cyclopropyl-2-[[4-[(2-methylpropan-2-yl)oxycarbonyl]triazol-1-yl]methyl]imidazo[1,2-a]pyridin-8-yl]morpholine-2-carboxylate;ethyl morpholine-2-carboxylate?

The InChIKey is WDCRXVRMFBEYBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H29ClFN9O4.C25H32N6O5.C21H24N6O5.C18H20BrN5O2.C8H7ClFN3.C7H13NO3/c1-2-43-29(42)24-15-37(7-8-44-24)23-9-18(17-3-4-17)11-39-12-19(34-27(23)39)13-40-14-22(35-36-40)28(41)32-10-21-26-25(31)20(30)5-6-38(26)16-33-21;1-5-34-24(33)21-15-29(8-9-35-21)20-10-17(16-6-7-16)11-30-12-18(26-22(20)30)13-31-14-19(27-28-31)23(32)36-25(2,3)4;1-2-31-21(30)18-12-25(5-6-32-18)17-7-14(13-3-4-13)8-26-9-15(22-19(17)26)10-27-11-16(20(28)29)23-24-27;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;1-2-10-7(9)6-5-8-3-4-11-6/h5-6,9,11-12,14,16-17,24H,2-4,7-8,10,13,15H2,1H3,(H,32,41);10-12,14,16,21H,5-9,13,15H2,1-4H3;7-9,11,13,18H,2-6,10,12H2,1H3,(H,28,29);6-8,10-11H,4-5,9H2,1-3H3;1-2,4H,3,11H2;6,8H,2-5H2,1H3.

What are the key properties of tert-butyl 1-[(8-bromo-6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]triazole-4-carboxylate;(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)methanamine;1-[[6-cyclopropyl-8-(2-ethoxycarbonylmorpholin-4-yl)imidazo[1,2-a]pyridin-2-yl]methyl]triazole-4-carboxylic acid;ethyl 4-[2-[[4-[(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)methylcarbamoyl]triazol-1-yl]methyl]-6-cyclopropylimidazo[1,2-a]pyridin-8-yl]morpholine-2-carboxylate;ethyl 4-[6-cyclopropyl-2-[[4-[(2-methylpropan-2-yl)oxycarbonyl]triazol-1-yl]methyl]imidazo[1,2-a]pyridin-8-yl]morpholine-2-carboxylate;ethyl morpholine-2-carboxylate?

tert-butyl 1-[(8-bromo-6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]triazole-4-carboxylate;(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)methanamine;1-[[6-cyclopropyl-8-(2-ethoxycarbonylmorpholin-4-yl)imidazo[1,2-a]pyridin-2-yl]methyl]triazole-4-carboxylic acid;ethyl 4-[2-[[4-[(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)methylcarbamoyl]triazol-1-yl]methyl]-6-cyclopropylimidazo[1,2-a]pyridin-8-yl]morpholine-2-carboxylate;ethyl 4-[6-cyclopropyl-2-[[4-[(2-methylpropan-2-yl)oxycarbonyl]triazol-1-yl]methyl]imidazo[1,2-a]pyridin-8-yl]morpholine-2-carboxylate;ethyl morpholine-2-carboxylate has a molecular weight of 2336.18 g/mol, XLogP of 11.58, 30 rotatable bonds, 4 hydrogen bond donors, and 47 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;(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)methanamine;1-[[6-cyclopropyl-8-(2-ethoxycarbonylmorpholin-4-yl)imidazo[1,2-a]pyridin-2-yl]methyl]triazole-4-carboxylic acid;ethyl 4-[2-[[4-[(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)methylcarbamoyl]triazol-1-yl]methyl]-6-cyclopropylimidazo[1,2-a]pyridin-8-yl]morpholine-2-carboxylate;ethyl 4-[6-cyclopropyl-2-[[4-[(2-methylpropan-2-yl)oxycarbonyl]triazol-1-yl]methyl]imidazo[1,2-a]pyridin-8-yl]morpholine-2-carboxylate;ethyl morpholine-2-carboxylate is sourced from PubChem (CID 161471285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).