N-(2,6-dimethoxypyrimidin-4-yl)-4-[[4-(2,7-dimethylimidazo[1,2-a]pyridin-3-yl)-1,3-thiazol-2-yl]amino]benzenesulfonamide;hydrobromide

C24H24BrN7O4S2 — CID 171669303

About N-(2,6-dimethoxypyrimidin-4-yl)-4-[[4-(2,7-dimethylimidazo[1,2-a]pyridin-3-yl)-1,3-thiazol-2-yl]amino]benzenesulfonamide;hydrobromide

N-(2,6-dimethoxypyrimidin-4-yl)-4-[[4-(2,7-dimethylimidazo[1,2-a]pyridin-3-yl)-1,3-thiazol-2-yl]amino]benzenesulfonamide;hydrobromide (PubChem CID 171669303) has the molecular formula C24H24BrN7O4S2 and a molecular weight of 618.54 g/mol. Its IUPAC name is N-(2,6-dimethoxypyrimidin-4-yl)-4-[[4-(2,7-dimethylimidazo[1,2-a]pyridin-3-yl)-1,3-thiazol-2-yl]amino]benzenesulfonamide;hydrobromide.

Molecular Properties

• Compound Name: N-(2,6-dimethoxypyrimidin-4-yl)-4-[[4-(2,7-dimethylimidazo[1,2-a]pyridin-3-yl)-1,3-thiazol-2-yl]amino]benzenesulfonamide;hydrobromide
• PubChem CID: 171669303
• Molecular Formula: C24H24BrN7O4S2
• Molecular Weight: 618.54 g/mol
• Exact Mass: 617.05
• IUPAC Name: N-(2,6-dimethoxypyrimidin-4-yl)-4-[[4-(2,7-dimethylimidazo[1,2-a]pyridin-3-yl)-1,3-thiazol-2-yl]amino]benzenesulfonamide;hydrobromide
• SMILES: Br.COc1cc(NS(=O)(=O)c2ccc(Nc3nc(-c4c(C)nc5cc(C)ccn45)cs3)cc2)nc(OC)n1
• InChI: InChI=1S/C24H23N7O4S2.BrH/c1-14-9-10-31-20(11-14)25-15(2)22(31)18-13-36-24(27-18)26-16-5-7-17(8-6-16)37(32,33)30-19-12-21(34-3)29-23(28-19)35-4;/h5-13H,1-4H3,(H,26,27)(H,28,29,30);1H
• InChIKey: WZOIEESFNUUBLV-UHFFFAOYSA-N
• XLogP: 5.00
• TPSA: 132.63 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 11
• Rotatable Bonds: 8
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	618.54
LogP ≤ 5	5.00
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	11

Frequently Asked Questions

What is the IUPAC name of N-(2,6-dimethoxypyrimidin-4-yl)-4-[[4-(2,7-dimethylimidazo[1,2-a]pyridin-3-yl)-1,3-thiazol-2-yl]amino]benzenesulfonamide;hydrobromide?

The IUPAC name of N-(2,6-dimethoxypyrimidin-4-yl)-4-[[4-(2,7-dimethylimidazo[1,2-a]pyridin-3-yl)-1,3-thiazol-2-yl]amino]benzenesulfonamide;hydrobromide (CID 171669303) is N-(2,6-dimethoxypyrimidin-4-yl)-4-[[4-(2,7-dimethylimidazo[1,2-a]pyridin-3-yl)-1,3-thiazol-2-yl]amino]benzenesulfonamide;hydrobromide.

What is the SMILES notation for N-(2,6-dimethoxypyrimidin-4-yl)-4-[[4-(2,7-dimethylimidazo[1,2-a]pyridin-3-yl)-1,3-thiazol-2-yl]amino]benzenesulfonamide;hydrobromide?

The canonical SMILES for N-(2,6-dimethoxypyrimidin-4-yl)-4-[[4-(2,7-dimethylimidazo[1,2-a]pyridin-3-yl)-1,3-thiazol-2-yl]amino]benzenesulfonamide;hydrobromide is Br.COc1cc(NS(=O)(=O)c2ccc(Nc3nc(-c4c(C)nc5cc(C)ccn45)cs3)cc2)nc(OC)n1.

What is the InChIKey of N-(2,6-dimethoxypyrimidin-4-yl)-4-[[4-(2,7-dimethylimidazo[1,2-a]pyridin-3-yl)-1,3-thiazol-2-yl]amino]benzenesulfonamide;hydrobromide?

The InChIKey is WZOIEESFNUUBLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23N7O4S2.BrH/c1-14-9-10-31-20(11-14)25-15(2)22(31)18-13-36-24(27-18)26-16-5-7-17(8-6-16)37(32,33)30-19-12-21(34-3)29-23(28-19)35-4;/h5-13H,1-4H3,(H,26,27)(H,28,29,30);1H.

What are the key properties of N-(2,6-dimethoxypyrimidin-4-yl)-4-[[4-(2,7-dimethylimidazo[1,2-a]pyridin-3-yl)-1,3-thiazol-2-yl]amino]benzenesulfonamide;hydrobromide?

N-(2,6-dimethoxypyrimidin-4-yl)-4-[[4-(2,7-dimethylimidazo[1,2-a]pyridin-3-yl)-1,3-thiazol-2-yl]amino]benzenesulfonamide;hydrobromide has a molecular weight of 618.54 g/mol, XLogP of 5.00, 8 rotatable bonds, 2 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for N-(2,6-dimethoxypyrimidin-4-yl)-4-[[4-(2,7-dimethylimidazo[1,2-a]pyridin-3-yl)-1,3-thiazol-2-yl]amino]benzenesulfonamide;hydrobromide is sourced from PubChem (CID 171669303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).