2-[(6-bromo-2-ethyl-8-methylimidazo[1,2-a]pyridin-3-yl)-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile;2-[(2-ethyl-8-methyl-6-piperazin-1-ylimidazo[1,2-a]pyridin-3-yl)-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile

C46H43BrF2N12S2 — CID 158517214

About 2-[(6-bromo-2-ethyl-8-methylimidazo[1,2-a]pyridin-3-yl)-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile;2-[(2-ethyl-8-methyl-6-piperazin-1-ylimidazo[1,2-a]pyridin-3-yl)-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile

2-[(6-bromo-2-ethyl-8-methylimidazo[1,2-a]pyridin-3-yl)-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile;2-[(2-ethyl-8-methyl-6-piperazin-1-ylimidazo[1,2-a]pyridin-3-yl)-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile (PubChem CID 158517214) has the molecular formula C46H43BrF2N12S2 and a molecular weight of 945.97 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;2-[(2-ethyl-8-methyl-6-piperazin-1-ylimidazo[1,2-a]pyridin-3-yl)-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile.

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;2-[(2-ethyl-8-methyl-6-piperazin-1-ylimidazo[1,2-a]pyridin-3-yl)-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile
• PubChem CID: 158517214
• Molecular Formula: C46H43BrF2N12S2
• Molecular Weight: 945.97 g/mol
• Exact Mass: 944.23
• IUPAC Name: 2-[(6-bromo-2-ethyl-8-methylimidazo[1,2-a]pyridin-3-yl)-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile;2-[(2-ethyl-8-methyl-6-piperazin-1-ylimidazo[1,2-a]pyridin-3-yl)-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile
• SMILES: CCc1nc2c(C)cc(Br)cn2c1N(C)c1nc(-c2ccc(F)cc2)c(C#N)s1.CCc1nc2c(C)cc(N3CCNCC3)cn2c1N(C)c1nc(-c2ccc(F)cc2)c(C#N)s1
• InChI: InChI=1S/C25H26FN7S.C21H17BrFN5S/c1-4-20-24(33-15-19(13-16(2)23(33)29-20)32-11-9-28-10-12-32)31(3)25-30-22(21(14-27)34-25)17-5-7-18(26)8-6-17;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/h5-8,13,15,28H,4,9-12H2,1-3H3;5-9,11H,4H2,1-3H3
• InChIKey: HLTWDPZIICCVSS-UHFFFAOYSA-N
• XLogP: 10.39
• TPSA: 129.71 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 14
• Rotatable Bonds: 9
• Heavy Atoms: 63
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	945.97
LogP ≤ 5	10.39
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	14

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;2-[(2-ethyl-8-methyl-6-piperazin-1-ylimidazo[1,2-a]pyridin-3-yl)-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile?

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;2-[(2-ethyl-8-methyl-6-piperazin-1-ylimidazo[1,2-a]pyridin-3-yl)-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile (CID 158517214) is 2-[(6-bromo-2-ethyl-8-methylimidazo[1,2-a]pyridin-3-yl)-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile;2-[(2-ethyl-8-methyl-6-piperazin-1-ylimidazo[1,2-a]pyridin-3-yl)-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile.

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;2-[(2-ethyl-8-methyl-6-piperazin-1-ylimidazo[1,2-a]pyridin-3-yl)-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile?

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;2-[(2-ethyl-8-methyl-6-piperazin-1-ylimidazo[1,2-a]pyridin-3-yl)-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile is CCc1nc2c(C)cc(Br)cn2c1N(C)c1nc(-c2ccc(F)cc2)c(C#N)s1.CCc1nc2c(C)cc(N3CCNCC3)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;2-[(2-ethyl-8-methyl-6-piperazin-1-ylimidazo[1,2-a]pyridin-3-yl)-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile?

The InChIKey is HLTWDPZIICCVSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26FN7S.C21H17BrFN5S/c1-4-20-24(33-15-19(13-16(2)23(33)29-20)32-11-9-28-10-12-32)31(3)25-30-22(21(14-27)34-25)17-5-7-18(26)8-6-17;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/h5-8,13,15,28H,4,9-12H2,1-3H3;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;2-[(2-ethyl-8-methyl-6-piperazin-1-ylimidazo[1,2-a]pyridin-3-yl)-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile?

2-[(6-bromo-2-ethyl-8-methylimidazo[1,2-a]pyridin-3-yl)-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile;2-[(2-ethyl-8-methyl-6-piperazin-1-ylimidazo[1,2-a]pyridin-3-yl)-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile has a molecular weight of 945.97 g/mol, XLogP of 10.39, 9 rotatable bonds, 1 hydrogen bond donors, and 14 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;2-[(2-ethyl-8-methyl-6-piperazin-1-ylimidazo[1,2-a]pyridin-3-yl)-methylamino]-4-(4-fluorophenyl)-1,3-thiazole-5-carbonitrile is sourced from PubChem (CID 158517214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).