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

C24H25Cl2N7O3S — CID 121309908

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

N-[2-(2,4-dichlorophenyl)-3-[[4-(1-methylpyrazole-4-carbonyl)piperazin-1-yl]methyl]imidazo[1,2-a]pyridin-6-yl]methanesulfonamide (PubChem CID 121309908) has the molecular formula C24H25Cl2N7O3S and a molecular weight of 562.48 g/mol. Its IUPAC name is N-[2-(2,4-dichlorophenyl)-3-[[4-(1-methylpyrazole-4-carbonyl)piperazin-1-yl]methyl]imidazo[1,2-a]pyridin-6-yl]methanesulfonamide.

Molecular Properties

• Compound Name: N-[2-(2,4-dichlorophenyl)-3-[[4-(1-methylpyrazole-4-carbonyl)piperazin-1-yl]methyl]imidazo[1,2-a]pyridin-6-yl]methanesulfonamide
• PubChem CID: 121309908
• Molecular Formula: C24H25Cl2N7O3S
• Molecular Weight: 562.48 g/mol
• Exact Mass: 561.11
• IUPAC Name: N-[2-(2,4-dichlorophenyl)-3-[[4-(1-methylpyrazole-4-carbonyl)piperazin-1-yl]methyl]imidazo[1,2-a]pyridin-6-yl]methanesulfonamide
• SMILES: Cn1cc(C(=O)N2CCN(Cc3c(-c4ccc(Cl)cc4Cl)nc4ccc(NS(C)(=O)=O)cn34)CC2)cn1
• InChI: InChI=1S/C24H25Cl2N7O3S/c1-30-13-16(12-27-30)24(34)32-9-7-31(8-10-32)15-21-23(19-5-3-17(25)11-20(19)26)28-22-6-4-18(14-33(21)22)29-37(2,35)36/h3-6,11-14,29H,7-10,15H2,1-2H3
• InChIKey: QXZZCTDGRVFRQY-UHFFFAOYSA-N
• XLogP: 3.37
• TPSA: 104.84 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 6
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	562.48
LogP ≤ 5	3.37
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

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

The IUPAC name of N-[2-(2,4-dichlorophenyl)-3-[[4-(1-methylpyrazole-4-carbonyl)piperazin-1-yl]methyl]imidazo[1,2-a]pyridin-6-yl]methanesulfonamide (CID 121309908) is N-[2-(2,4-dichlorophenyl)-3-[[4-(1-methylpyrazole-4-carbonyl)piperazin-1-yl]methyl]imidazo[1,2-a]pyridin-6-yl]methanesulfonamide.

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

The canonical SMILES for N-[2-(2,4-dichlorophenyl)-3-[[4-(1-methylpyrazole-4-carbonyl)piperazin-1-yl]methyl]imidazo[1,2-a]pyridin-6-yl]methanesulfonamide is Cn1cc(C(=O)N2CCN(Cc3c(-c4ccc(Cl)cc4Cl)nc4ccc(NS(C)(=O)=O)cn34)CC2)cn1.

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

The InChIKey is QXZZCTDGRVFRQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25Cl2N7O3S/c1-30-13-16(12-27-30)24(34)32-9-7-31(8-10-32)15-21-23(19-5-3-17(25)11-20(19)26)28-22-6-4-18(14-33(21)22)29-37(2,35)36/h3-6,11-14,29H,7-10,15H2,1-2H3.

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

N-[2-(2,4-dichlorophenyl)-3-[[4-(1-methylpyrazole-4-carbonyl)piperazin-1-yl]methyl]imidazo[1,2-a]pyridin-6-yl]methanesulfonamide has a molecular weight of 562.48 g/mol, XLogP of 3.37, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-(2,4-dichlorophenyl)-3-[[4-(1-methylpyrazole-4-carbonyl)piperazin-1-yl]methyl]imidazo[1,2-a]pyridin-6-yl]methanesulfonamide is sourced from PubChem (CID 121309908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).