N-[2-(4-chlorophenyl)-3-[[4-(1,3-thiazole-4-carbonyl)piperazin-1-yl]methyl]imidazo[1,2-a]pyridin-6-yl]methanesulfonamide

C23H23ClN6O3S2 — CID 121309824

About N-[2-(4-chlorophenyl)-3-[[4-(1,3-thiazole-4-carbonyl)piperazin-1-yl]methyl]imidazo[1,2-a]pyridin-6-yl]methanesulfonamide

N-[2-(4-chlorophenyl)-3-[[4-(1,3-thiazole-4-carbonyl)piperazin-1-yl]methyl]imidazo[1,2-a]pyridin-6-yl]methanesulfonamide (PubChem CID 121309824) has the molecular formula C23H23ClN6O3S2 and a molecular weight of 531.06 g/mol. Its IUPAC name is N-[2-(4-chlorophenyl)-3-[[4-(1,3-thiazole-4-carbonyl)piperazin-1-yl]methyl]imidazo[1,2-a]pyridin-6-yl]methanesulfonamide.

Molecular Properties

• Compound Name: N-[2-(4-chlorophenyl)-3-[[4-(1,3-thiazole-4-carbonyl)piperazin-1-yl]methyl]imidazo[1,2-a]pyridin-6-yl]methanesulfonamide
• PubChem CID: 121309824
• Molecular Formula: C23H23ClN6O3S2
• Molecular Weight: 531.06 g/mol
• Exact Mass: 530.10
• IUPAC Name: N-[2-(4-chlorophenyl)-3-[[4-(1,3-thiazole-4-carbonyl)piperazin-1-yl]methyl]imidazo[1,2-a]pyridin-6-yl]methanesulfonamide
• SMILES: CS(=O)(=O)Nc1ccc2nc(-c3ccc(Cl)cc3)c(CN3CCN(C(=O)c4cscn4)CC3)n2c1
• InChI: InChI=1S/C23H23ClN6O3S2/c1-35(32,33)27-18-6-7-21-26-22(16-2-4-17(24)5-3-16)20(30(21)12-18)13-28-8-10-29(11-9-28)23(31)19-14-34-15-25-19/h2-7,12,14-15,27H,8-11,13H2,1H3
• InChIKey: GDTVSOBYRYCSIW-UHFFFAOYSA-N
• XLogP: 3.44
• TPSA: 99.91 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 6
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	531.06
LogP ≤ 5	3.44
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-chlorophenyl)-3-[[4-(1,3-thiazole-4-carbonyl)piperazin-1-yl]methyl]imidazo[1,2-a]pyridin-6-yl]methanesulfonamide?

The IUPAC name of N-[2-(4-chlorophenyl)-3-[[4-(1,3-thiazole-4-carbonyl)piperazin-1-yl]methyl]imidazo[1,2-a]pyridin-6-yl]methanesulfonamide (CID 121309824) is N-[2-(4-chlorophenyl)-3-[[4-(1,3-thiazole-4-carbonyl)piperazin-1-yl]methyl]imidazo[1,2-a]pyridin-6-yl]methanesulfonamide.

What is the SMILES notation for N-[2-(4-chlorophenyl)-3-[[4-(1,3-thiazole-4-carbonyl)piperazin-1-yl]methyl]imidazo[1,2-a]pyridin-6-yl]methanesulfonamide?

The canonical SMILES for N-[2-(4-chlorophenyl)-3-[[4-(1,3-thiazole-4-carbonyl)piperazin-1-yl]methyl]imidazo[1,2-a]pyridin-6-yl]methanesulfonamide is CS(=O)(=O)Nc1ccc2nc(-c3ccc(Cl)cc3)c(CN3CCN(C(=O)c4cscn4)CC3)n2c1.

What is the InChIKey of N-[2-(4-chlorophenyl)-3-[[4-(1,3-thiazole-4-carbonyl)piperazin-1-yl]methyl]imidazo[1,2-a]pyridin-6-yl]methanesulfonamide?

The InChIKey is GDTVSOBYRYCSIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23ClN6O3S2/c1-35(32,33)27-18-6-7-21-26-22(16-2-4-17(24)5-3-16)20(30(21)12-18)13-28-8-10-29(11-9-28)23(31)19-14-34-15-25-19/h2-7,12,14-15,27H,8-11,13H2,1H3.

What are the key properties of N-[2-(4-chlorophenyl)-3-[[4-(1,3-thiazole-4-carbonyl)piperazin-1-yl]methyl]imidazo[1,2-a]pyridin-6-yl]methanesulfonamide?

N-[2-(4-chlorophenyl)-3-[[4-(1,3-thiazole-4-carbonyl)piperazin-1-yl]methyl]imidazo[1,2-a]pyridin-6-yl]methanesulfonamide has a molecular weight of 531.06 g/mol, XLogP of 3.44, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-(4-chlorophenyl)-3-[[4-(1,3-thiazole-4-carbonyl)piperazin-1-yl]methyl]imidazo[1,2-a]pyridin-6-yl]methanesulfonamide is sourced from PubChem (CID 121309824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).