1-[2-ethyl-3-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-methylamino]imidazo[1,2-a]pyridin-6-yl]-4-methylsulfonylpiperazin-2-one

C24H25FN6O3S2 — CID 78426135

About 1-[2-ethyl-3-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-methylamino]imidazo[1,2-a]pyridin-6-yl]-4-methylsulfonylpiperazin-2-one

1-[2-ethyl-3-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-methylamino]imidazo[1,2-a]pyridin-6-yl]-4-methylsulfonylpiperazin-2-one (PubChem CID 78426135) has the molecular formula C24H25FN6O3S2 and a molecular weight of 528.64 g/mol. Its IUPAC name is 1-[2-ethyl-3-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-methylamino]imidazo[1,2-a]pyridin-6-yl]-4-methylsulfonylpiperazin-2-one.

Molecular Properties

• Compound Name: 1-[2-ethyl-3-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-methylamino]imidazo[1,2-a]pyridin-6-yl]-4-methylsulfonylpiperazin-2-one
• PubChem CID: 78426135
• Molecular Formula: C24H25FN6O3S2
• Molecular Weight: 528.64 g/mol
• Exact Mass: 528.14
• IUPAC Name: 1-[2-ethyl-3-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-methylamino]imidazo[1,2-a]pyridin-6-yl]-4-methylsulfonylpiperazin-2-one
• SMILES: CCc1nc2ccc(N3CCN(S(C)(=O)=O)CC3=O)cn2c1N(C)c1nc(-c2ccc(F)cc2)cs1
• InChI: InChI=1S/C24H25FN6O3S2/c1-4-19-23(28(2)24-27-20(15-35-24)16-5-7-17(25)8-6-16)31-13-18(9-10-21(31)26-19)30-12-11-29(14-22(30)32)36(3,33)34/h5-10,13,15H,4,11-12,14H2,1-3H3
• InChIKey: GYFBQIYKERHVKR-UHFFFAOYSA-N
• XLogP: 3.54
• TPSA: 91.12 Ų
• H-Bond Acceptors: 8
• Rotatable Bonds: 6
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	528.64
LogP ≤ 5	3.54
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 1-[2-ethyl-3-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-methylamino]imidazo[1,2-a]pyridin-6-yl]-4-methylsulfonylpiperazin-2-one?

The IUPAC name of 1-[2-ethyl-3-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-methylamino]imidazo[1,2-a]pyridin-6-yl]-4-methylsulfonylpiperazin-2-one (CID 78426135) is 1-[2-ethyl-3-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-methylamino]imidazo[1,2-a]pyridin-6-yl]-4-methylsulfonylpiperazin-2-one.

What is the SMILES notation for 1-[2-ethyl-3-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-methylamino]imidazo[1,2-a]pyridin-6-yl]-4-methylsulfonylpiperazin-2-one?

The canonical SMILES for 1-[2-ethyl-3-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-methylamino]imidazo[1,2-a]pyridin-6-yl]-4-methylsulfonylpiperazin-2-one is CCc1nc2ccc(N3CCN(S(C)(=O)=O)CC3=O)cn2c1N(C)c1nc(-c2ccc(F)cc2)cs1.

What is the InChIKey of 1-[2-ethyl-3-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-methylamino]imidazo[1,2-a]pyridin-6-yl]-4-methylsulfonylpiperazin-2-one?

The InChIKey is GYFBQIYKERHVKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25FN6O3S2/c1-4-19-23(28(2)24-27-20(15-35-24)16-5-7-17(25)8-6-16)31-13-18(9-10-21(31)26-19)30-12-11-29(14-22(30)32)36(3,33)34/h5-10,13,15H,4,11-12,14H2,1-3H3.

What are the key properties of 1-[2-ethyl-3-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-methylamino]imidazo[1,2-a]pyridin-6-yl]-4-methylsulfonylpiperazin-2-one?

1-[2-ethyl-3-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-methylamino]imidazo[1,2-a]pyridin-6-yl]-4-methylsulfonylpiperazin-2-one has a molecular weight of 528.64 g/mol, XLogP of 3.54, 6 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[2-ethyl-3-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-methylamino]imidazo[1,2-a]pyridin-6-yl]-4-methylsulfonylpiperazin-2-one is sourced from PubChem (CID 78426135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).