(8-bromo-6-chloroimidazo[1,2-a]pyridin-2-yl)-[3-[4-(1,3-thiazole-2-carbonyl)piperazin-1-yl]azetidin-1-yl]methanone

C19H18BrClN6O2S — CID 66840124

About (8-bromo-6-chloroimidazo[1,2-a]pyridin-2-yl)-[3-[4-(1,3-thiazole-2-carbonyl)piperazin-1-yl]azetidin-1-yl]methanone

(8-bromo-6-chloroimidazo[1,2-a]pyridin-2-yl)-[3-[4-(1,3-thiazole-2-carbonyl)piperazin-1-yl]azetidin-1-yl]methanone (PubChem CID 66840124) has the molecular formula C19H18BrClN6O2S and a molecular weight of 509.82 g/mol. Its IUPAC name is (8-bromo-6-chloroimidazo[1,2-a]pyridin-2-yl)-[3-[4-(1,3-thiazole-2-carbonyl)piperazin-1-yl]azetidin-1-yl]methanone.

Molecular Properties

• Compound Name: (8-bromo-6-chloroimidazo[1,2-a]pyridin-2-yl)-[3-[4-(1,3-thiazole-2-carbonyl)piperazin-1-yl]azetidin-1-yl]methanone
• PubChem CID: 66840124
• Molecular Formula: C19H18BrClN6O2S
• Molecular Weight: 509.82 g/mol
• Exact Mass: 508.01
• IUPAC Name: (8-bromo-6-chloroimidazo[1,2-a]pyridin-2-yl)-[3-[4-(1,3-thiazole-2-carbonyl)piperazin-1-yl]azetidin-1-yl]methanone
• SMILES: O=C(c1cn2cc(Cl)cc(Br)c2n1)N1CC(N2CCN(C(=O)c3nccs3)CC2)C1
• InChI: InChI=1S/C19H18BrClN6O2S/c20-14-7-12(21)8-26-11-15(23-16(14)26)18(28)27-9-13(10-27)24-2-4-25(5-3-24)19(29)17-22-1-6-30-17/h1,6-8,11,13H,2-5,9-10H2
• InChIKey: RJZGZVJQEVXNRV-UHFFFAOYSA-N
• XLogP: 2.49
• TPSA: 74.05 Ų
• H-Bond Acceptors: 7
• Rotatable Bonds: 3
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	509.82
LogP ≤ 5	2.49
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of (8-bromo-6-chloroimidazo[1,2-a]pyridin-2-yl)-[3-[4-(1,3-thiazole-2-carbonyl)piperazin-1-yl]azetidin-1-yl]methanone?

The IUPAC name of (8-bromo-6-chloroimidazo[1,2-a]pyridin-2-yl)-[3-[4-(1,3-thiazole-2-carbonyl)piperazin-1-yl]azetidin-1-yl]methanone (CID 66840124) is (8-bromo-6-chloroimidazo[1,2-a]pyridin-2-yl)-[3-[4-(1,3-thiazole-2-carbonyl)piperazin-1-yl]azetidin-1-yl]methanone.

What is the SMILES notation for (8-bromo-6-chloroimidazo[1,2-a]pyridin-2-yl)-[3-[4-(1,3-thiazole-2-carbonyl)piperazin-1-yl]azetidin-1-yl]methanone?

The canonical SMILES for (8-bromo-6-chloroimidazo[1,2-a]pyridin-2-yl)-[3-[4-(1,3-thiazole-2-carbonyl)piperazin-1-yl]azetidin-1-yl]methanone is O=C(c1cn2cc(Cl)cc(Br)c2n1)N1CC(N2CCN(C(=O)c3nccs3)CC2)C1.

What is the InChIKey of (8-bromo-6-chloroimidazo[1,2-a]pyridin-2-yl)-[3-[4-(1,3-thiazole-2-carbonyl)piperazin-1-yl]azetidin-1-yl]methanone?

The InChIKey is RJZGZVJQEVXNRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18BrClN6O2S/c20-14-7-12(21)8-26-11-15(23-16(14)26)18(28)27-9-13(10-27)24-2-4-25(5-3-24)19(29)17-22-1-6-30-17/h1,6-8,11,13H,2-5,9-10H2.

What are the key properties of (8-bromo-6-chloroimidazo[1,2-a]pyridin-2-yl)-[3-[4-(1,3-thiazole-2-carbonyl)piperazin-1-yl]azetidin-1-yl]methanone?

(8-bromo-6-chloroimidazo[1,2-a]pyridin-2-yl)-[3-[4-(1,3-thiazole-2-carbonyl)piperazin-1-yl]azetidin-1-yl]methanone has a molecular weight of 509.82 g/mol, XLogP of 2.49, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for (8-bromo-6-chloroimidazo[1,2-a]pyridin-2-yl)-[3-[4-(1,3-thiazole-2-carbonyl)piperazin-1-yl]azetidin-1-yl]methanone is sourced from PubChem (CID 66840124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).