4-[2-ethyl-3-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-methylamino]imidazo[1,2-a]pyridin-6-yl]piperidine-1-sulfonamide;N-(2-ethyl-6-piperidin-4-ylimidazo[1,2-a]pyridin-3-yl)-4-(4-fluorophenyl)-N-methyl-1,3-thiazol-2-amine

C48H53F2N11O2S3 — CID 158366683

About 4-[2-ethyl-3-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-methylamino]imidazo[1,2-a]pyridin-6-yl]piperidine-1-sulfonamide;N-(2-ethyl-6-piperidin-4-ylimidazo[1,2-a]pyridin-3-yl)-4-(4-fluorophenyl)-N-methyl-1,3-thiazol-2-amine

4-[2-ethyl-3-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-methylamino]imidazo[1,2-a]pyridin-6-yl]piperidine-1-sulfonamide;N-(2-ethyl-6-piperidin-4-ylimidazo[1,2-a]pyridin-3-yl)-4-(4-fluorophenyl)-N-methyl-1,3-thiazol-2-amine (PubChem CID 158366683) has the molecular formula C48H53F2N11O2S3 and a molecular weight of 950.22 g/mol. Its IUPAC name is 4-[2-ethyl-3-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-methylamino]imidazo[1,2-a]pyridin-6-yl]piperidine-1-sulfonamide;N-(2-ethyl-6-piperidin-4-ylimidazo[1,2-a]pyridin-3-yl)-4-(4-fluorophenyl)-N-methyl-1,3-thiazol-2-amine.

Molecular Properties

• Compound Name: 4-[2-ethyl-3-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-methylamino]imidazo[1,2-a]pyridin-6-yl]piperidine-1-sulfonamide;N-(2-ethyl-6-piperidin-4-ylimidazo[1,2-a]pyridin-3-yl)-4-(4-fluorophenyl)-N-methyl-1,3-thiazol-2-amine
• PubChem CID: 158366683
• Molecular Formula: C48H53F2N11O2S3
• Molecular Weight: 950.22 g/mol
• Exact Mass: 949.35
• IUPAC Name: 4-[2-ethyl-3-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-methylamino]imidazo[1,2-a]pyridin-6-yl]piperidine-1-sulfonamide;N-(2-ethyl-6-piperidin-4-ylimidazo[1,2-a]pyridin-3-yl)-4-(4-fluorophenyl)-N-methyl-1,3-thiazol-2-amine
• SMILES: CCc1nc2ccc(C3CCN(S(N)(=O)=O)CC3)cn2c1N(C)c1nc(-c2ccc(F)cc2)cs1.CCc1nc2ccc(C3CCNCC3)cn2c1N(C)c1nc(-c2ccc(F)cc2)cs1
• InChI: InChI=1S/C24H27FN6O2S2.C24H26FN5S/c1-3-20-23(29(2)24-28-21(15-34-24)17-4-7-19(25)8-5-17)31-14-18(6-9-22(31)27-20)16-10-12-30(13-11-16)35(26,32)33;1-3-20-23(29(2)24-28-21(15-31-24)17-4-7-19(25)8-5-17)30-14-18(6-9-22(30)27-20)16-10-12-26-13-11-16/h4-9,14-16H,3,10-13H2,1-2H3,(H2,26,32,33);4-9,14-16,26H,3,10-13H2,1-2H3
• InChIKey: GUCQPLREJAYFPO-UHFFFAOYSA-N
• XLogP: 9.70
• TPSA: 142.29 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 13
• Rotatable Bonds: 11
• Heavy Atoms: 66
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	950.22
LogP ≤ 5	9.70
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	13

Frequently Asked Questions

What is the IUPAC name of 4-[2-ethyl-3-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-methylamino]imidazo[1,2-a]pyridin-6-yl]piperidine-1-sulfonamide;N-(2-ethyl-6-piperidin-4-ylimidazo[1,2-a]pyridin-3-yl)-4-(4-fluorophenyl)-N-methyl-1,3-thiazol-2-amine?

The IUPAC name of 4-[2-ethyl-3-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-methylamino]imidazo[1,2-a]pyridin-6-yl]piperidine-1-sulfonamide;N-(2-ethyl-6-piperidin-4-ylimidazo[1,2-a]pyridin-3-yl)-4-(4-fluorophenyl)-N-methyl-1,3-thiazol-2-amine (CID 158366683) is 4-[2-ethyl-3-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-methylamino]imidazo[1,2-a]pyridin-6-yl]piperidine-1-sulfonamide;N-(2-ethyl-6-piperidin-4-ylimidazo[1,2-a]pyridin-3-yl)-4-(4-fluorophenyl)-N-methyl-1,3-thiazol-2-amine.

What is the SMILES notation for 4-[2-ethyl-3-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-methylamino]imidazo[1,2-a]pyridin-6-yl]piperidine-1-sulfonamide;N-(2-ethyl-6-piperidin-4-ylimidazo[1,2-a]pyridin-3-yl)-4-(4-fluorophenyl)-N-methyl-1,3-thiazol-2-amine?

The canonical SMILES for 4-[2-ethyl-3-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-methylamino]imidazo[1,2-a]pyridin-6-yl]piperidine-1-sulfonamide;N-(2-ethyl-6-piperidin-4-ylimidazo[1,2-a]pyridin-3-yl)-4-(4-fluorophenyl)-N-methyl-1,3-thiazol-2-amine is CCc1nc2ccc(C3CCN(S(N)(=O)=O)CC3)cn2c1N(C)c1nc(-c2ccc(F)cc2)cs1.CCc1nc2ccc(C3CCNCC3)cn2c1N(C)c1nc(-c2ccc(F)cc2)cs1.

What is the InChIKey of 4-[2-ethyl-3-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-methylamino]imidazo[1,2-a]pyridin-6-yl]piperidine-1-sulfonamide;N-(2-ethyl-6-piperidin-4-ylimidazo[1,2-a]pyridin-3-yl)-4-(4-fluorophenyl)-N-methyl-1,3-thiazol-2-amine?

The InChIKey is GUCQPLREJAYFPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27FN6O2S2.C24H26FN5S/c1-3-20-23(29(2)24-28-21(15-34-24)17-4-7-19(25)8-5-17)31-14-18(6-9-22(31)27-20)16-10-12-30(13-11-16)35(26,32)33;1-3-20-23(29(2)24-28-21(15-31-24)17-4-7-19(25)8-5-17)30-14-18(6-9-22(30)27-20)16-10-12-26-13-11-16/h4-9,14-16H,3,10-13H2,1-2H3,(H2,26,32,33);4-9,14-16,26H,3,10-13H2,1-2H3.

What are the key properties of 4-[2-ethyl-3-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-methylamino]imidazo[1,2-a]pyridin-6-yl]piperidine-1-sulfonamide;N-(2-ethyl-6-piperidin-4-ylimidazo[1,2-a]pyridin-3-yl)-4-(4-fluorophenyl)-N-methyl-1,3-thiazol-2-amine?

4-[2-ethyl-3-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-methylamino]imidazo[1,2-a]pyridin-6-yl]piperidine-1-sulfonamide;N-(2-ethyl-6-piperidin-4-ylimidazo[1,2-a]pyridin-3-yl)-4-(4-fluorophenyl)-N-methyl-1,3-thiazol-2-amine has a molecular weight of 950.22 g/mol, XLogP of 9.70, 11 rotatable bonds, 2 hydrogen bond donors, and 13 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[2-ethyl-3-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-methylamino]imidazo[1,2-a]pyridin-6-yl]piperidine-1-sulfonamide;N-(2-ethyl-6-piperidin-4-ylimidazo[1,2-a]pyridin-3-yl)-4-(4-fluorophenyl)-N-methyl-1,3-thiazol-2-amine is sourced from PubChem (CID 158366683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).