2-[(6-bromo-2-ethyl-8-methylimidazo[1,2-a]pyridin-3-yl)-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile;tert-butyl 4-[3-[[5-cyano-4-(4-fluorophenyl)-1,3-thiazol-2-yl]-methylamino]-2-ethyl-8-methylimidazo[1,2-a]pyridin-6-yl]piperazine-1-carboxylate

C51H51BrF2N12O2S2 — CID 161355470

About 2-[(6-bromo-2-ethyl-8-methylimidazo[1,2-a]pyridin-3-yl)-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile;tert-butyl 4-[3-[[5-cyano-4-(4-fluorophenyl)-1,3-thiazol-2-yl]-methylamino]-2-ethyl-8-methylimidazo[1,2-a]pyridin-6-yl]piperazine-1-carboxylate

2-[(6-bromo-2-ethyl-8-methylimidazo[1,2-a]pyridin-3-yl)-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile;tert-butyl 4-[3-[[5-cyano-4-(4-fluorophenyl)-1,3-thiazol-2-yl]-methylamino]-2-ethyl-8-methylimidazo[1,2-a]pyridin-6-yl]piperazine-1-carboxylate (PubChem CID 161355470) has the molecular formula C51H51BrF2N12O2S2 and a molecular weight of 1046.08 g/mol. Its IUPAC name is 2-[(6-bromo-2-ethyl-8-methylimidazo[1,2-a]pyridin-3-yl)-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile;tert-butyl 4-[3-[[5-cyano-4-(4-fluorophenyl)-1,3-thiazol-2-yl]-methylamino]-2-ethyl-8-methylimidazo[1,2-a]pyridin-6-yl]piperazine-1-carboxylate.

Molecular Properties

• Compound Name: 2-[(6-bromo-2-ethyl-8-methylimidazo[1,2-a]pyridin-3-yl)-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile;tert-butyl 4-[3-[[5-cyano-4-(4-fluorophenyl)-1,3-thiazol-2-yl]-methylamino]-2-ethyl-8-methylimidazo[1,2-a]pyridin-6-yl]piperazine-1-carboxylate
• PubChem CID: 161355470
• Molecular Formula: C51H51BrF2N12O2S2
• Molecular Weight: 1046.08 g/mol
• Exact Mass: 1044.29
• IUPAC Name: 2-[(6-bromo-2-ethyl-8-methylimidazo[1,2-a]pyridin-3-yl)-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile;tert-butyl 4-[3-[[5-cyano-4-(4-fluorophenyl)-1,3-thiazol-2-yl]-methylamino]-2-ethyl-8-methylimidazo[1,2-a]pyridin-6-yl]piperazine-1-carboxylate
• SMILES: CCc1nc2c(C)cc(Br)cn2c1N(C)c1nc(-c2ccc(F)cc2)c(C#N)s1.CCc1nc2c(C)cc(N3CCN(C(=O)OC(C)(C)C)CC3)cn2c1N(C)c1nc(-c2ccc(F)cc2)c(C#N)s1
• InChI: InChI=1S/C30H34FN7O2S.C21H17BrFN5S/c1-7-23-27(35(6)28-34-25(24(17-32)41-28)20-8-10-21(31)11-9-20)38-18-22(16-19(2)26(38)33-23)36-12-14-37(15-13-36)29(39)40-30(3,4)5;1-4-16-20(28-11-14(22)9-12(2)19(28)25-16)27(3)21-26-18(17(10-24)29-21)13-5-7-15(23)8-6-13/h8-11,16,18H,7,12-15H2,1-6H3;5-9,11H,4H2,1-3H3
• InChIKey: VOMGIQOWBZMWHY-UHFFFAOYSA-N
• XLogP: 12.03
• TPSA: 147.22 Ų
• H-Bond Acceptors: 15
• Rotatable Bonds: 9
• Heavy Atoms: 70
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1046.08
LogP ≤ 5	12.03
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	15

Frequently Asked Questions

What is the IUPAC name of 2-[(6-bromo-2-ethyl-8-methylimidazo[1,2-a]pyridin-3-yl)-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile;tert-butyl 4-[3-[[5-cyano-4-(4-fluorophenyl)-1,3-thiazol-2-yl]-methylamino]-2-ethyl-8-methylimidazo[1,2-a]pyridin-6-yl]piperazine-1-carboxylate?

The IUPAC name of 2-[(6-bromo-2-ethyl-8-methylimidazo[1,2-a]pyridin-3-yl)-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile;tert-butyl 4-[3-[[5-cyano-4-(4-fluorophenyl)-1,3-thiazol-2-yl]-methylamino]-2-ethyl-8-methylimidazo[1,2-a]pyridin-6-yl]piperazine-1-carboxylate (CID 161355470) is 2-[(6-bromo-2-ethyl-8-methylimidazo[1,2-a]pyridin-3-yl)-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile;tert-butyl 4-[3-[[5-cyano-4-(4-fluorophenyl)-1,3-thiazol-2-yl]-methylamino]-2-ethyl-8-methylimidazo[1,2-a]pyridin-6-yl]piperazine-1-carboxylate.

What is the SMILES notation for 2-[(6-bromo-2-ethyl-8-methylimidazo[1,2-a]pyridin-3-yl)-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile;tert-butyl 4-[3-[[5-cyano-4-(4-fluorophenyl)-1,3-thiazol-2-yl]-methylamino]-2-ethyl-8-methylimidazo[1,2-a]pyridin-6-yl]piperazine-1-carboxylate?

The canonical SMILES for 2-[(6-bromo-2-ethyl-8-methylimidazo[1,2-a]pyridin-3-yl)-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile;tert-butyl 4-[3-[[5-cyano-4-(4-fluorophenyl)-1,3-thiazol-2-yl]-methylamino]-2-ethyl-8-methylimidazo[1,2-a]pyridin-6-yl]piperazine-1-carboxylate is CCc1nc2c(C)cc(Br)cn2c1N(C)c1nc(-c2ccc(F)cc2)c(C#N)s1.CCc1nc2c(C)cc(N3CCN(C(=O)OC(C)(C)C)CC3)cn2c1N(C)c1nc(-c2ccc(F)cc2)c(C#N)s1.

What is the InChIKey of 2-[(6-bromo-2-ethyl-8-methylimidazo[1,2-a]pyridin-3-yl)-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile;tert-butyl 4-[3-[[5-cyano-4-(4-fluorophenyl)-1,3-thiazol-2-yl]-methylamino]-2-ethyl-8-methylimidazo[1,2-a]pyridin-6-yl]piperazine-1-carboxylate?

The InChIKey is VOMGIQOWBZMWHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H34FN7O2S.C21H17BrFN5S/c1-7-23-27(35(6)28-34-25(24(17-32)41-28)20-8-10-21(31)11-9-20)38-18-22(16-19(2)26(38)33-23)36-12-14-37(15-13-36)29(39)40-30(3,4)5;1-4-16-20(28-11-14(22)9-12(2)19(28)25-16)27(3)21-26-18(17(10-24)29-21)13-5-7-15(23)8-6-13/h8-11,16,18H,7,12-15H2,1-6H3;5-9,11H,4H2,1-3H3.

What are the key properties of 2-[(6-bromo-2-ethyl-8-methylimidazo[1,2-a]pyridin-3-yl)-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile;tert-butyl 4-[3-[[5-cyano-4-(4-fluorophenyl)-1,3-thiazol-2-yl]-methylamino]-2-ethyl-8-methylimidazo[1,2-a]pyridin-6-yl]piperazine-1-carboxylate?

2-[(6-bromo-2-ethyl-8-methylimidazo[1,2-a]pyridin-3-yl)-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile;tert-butyl 4-[3-[[5-cyano-4-(4-fluorophenyl)-1,3-thiazol-2-yl]-methylamino]-2-ethyl-8-methylimidazo[1,2-a]pyridin-6-yl]piperazine-1-carboxylate has a molecular weight of 1046.08 g/mol, XLogP of 12.03, 9 rotatable bonds, 0 hydrogen bond donors, and 15 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[(6-bromo-2-ethyl-8-methylimidazo[1,2-a]pyridin-3-yl)-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile;tert-butyl 4-[3-[[5-cyano-4-(4-fluorophenyl)-1,3-thiazol-2-yl]-methylamino]-2-ethyl-8-methylimidazo[1,2-a]pyridin-6-yl]piperazine-1-carboxylate is sourced from PubChem (CID 161355470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).