1-[4-[[2-methyl-3-[4-phenyl-5-(1H-1,2,4-triazol-5-yl)-1,3-thiazol-2-yl]imidazo[1,2-a]pyridin-6-yl]methyl]piperazin-1-yl]ethanone

C26H26N8OS — CID 58094909

About 1-[4-[[2-methyl-3-[4-phenyl-5-(1H-1,2,4-triazol-5-yl)-1,3-thiazol-2-yl]imidazo[1,2-a]pyridin-6-yl]methyl]piperazin-1-yl]ethanone

1-[4-[[2-methyl-3-[4-phenyl-5-(1H-1,2,4-triazol-5-yl)-1,3-thiazol-2-yl]imidazo[1,2-a]pyridin-6-yl]methyl]piperazin-1-yl]ethanone (PubChem CID 58094909) has the molecular formula C26H26N8OS and a molecular weight of 498.62 g/mol. Its IUPAC name is 1-[4-[[2-methyl-3-[4-phenyl-5-(1H-1,2,4-triazol-5-yl)-1,3-thiazol-2-yl]imidazo[1,2-a]pyridin-6-yl]methyl]piperazin-1-yl]ethanone.

Molecular Properties

• Compound Name: 1-[4-[[2-methyl-3-[4-phenyl-5-(1H-1,2,4-triazol-5-yl)-1,3-thiazol-2-yl]imidazo[1,2-a]pyridin-6-yl]methyl]piperazin-1-yl]ethanone
• PubChem CID: 58094909
• Molecular Formula: C26H26N8OS
• Molecular Weight: 498.62 g/mol
• Exact Mass: 498.20
• IUPAC Name: 1-[4-[[2-methyl-3-[4-phenyl-5-(1H-1,2,4-triazol-5-yl)-1,3-thiazol-2-yl]imidazo[1,2-a]pyridin-6-yl]methyl]piperazin-1-yl]ethanone
• SMILES: CC(=O)N1CCN(Cc2ccc3nc(C)c(-c4nc(-c5ccccc5)c(-c5ncn[nH]5)s4)n3c2)CC1
• InChI: InChI=1S/C26H26N8OS/c1-17-23(26-30-22(20-6-4-3-5-7-20)24(36-26)25-27-16-28-31-25)34-15-19(8-9-21(34)29-17)14-32-10-12-33(13-11-32)18(2)35/h3-9,15-16H,10-14H2,1-2H3,(H,27,28,31)
• InChIKey: BYYWEARODPGNAR-UHFFFAOYSA-N
• XLogP: 3.88
• TPSA: 95.31 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 5
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	498.62
LogP ≤ 5	3.88
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 1-[4-[[2-methyl-3-[4-phenyl-5-(1H-1,2,4-triazol-5-yl)-1,3-thiazol-2-yl]imidazo[1,2-a]pyridin-6-yl]methyl]piperazin-1-yl]ethanone?

The IUPAC name of 1-[4-[[2-methyl-3-[4-phenyl-5-(1H-1,2,4-triazol-5-yl)-1,3-thiazol-2-yl]imidazo[1,2-a]pyridin-6-yl]methyl]piperazin-1-yl]ethanone (CID 58094909) is 1-[4-[[2-methyl-3-[4-phenyl-5-(1H-1,2,4-triazol-5-yl)-1,3-thiazol-2-yl]imidazo[1,2-a]pyridin-6-yl]methyl]piperazin-1-yl]ethanone.

What is the SMILES notation for 1-[4-[[2-methyl-3-[4-phenyl-5-(1H-1,2,4-triazol-5-yl)-1,3-thiazol-2-yl]imidazo[1,2-a]pyridin-6-yl]methyl]piperazin-1-yl]ethanone?

The canonical SMILES for 1-[4-[[2-methyl-3-[4-phenyl-5-(1H-1,2,4-triazol-5-yl)-1,3-thiazol-2-yl]imidazo[1,2-a]pyridin-6-yl]methyl]piperazin-1-yl]ethanone is CC(=O)N1CCN(Cc2ccc3nc(C)c(-c4nc(-c5ccccc5)c(-c5ncn[nH]5)s4)n3c2)CC1.

What is the InChIKey of 1-[4-[[2-methyl-3-[4-phenyl-5-(1H-1,2,4-triazol-5-yl)-1,3-thiazol-2-yl]imidazo[1,2-a]pyridin-6-yl]methyl]piperazin-1-yl]ethanone?

The InChIKey is BYYWEARODPGNAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26N8OS/c1-17-23(26-30-22(20-6-4-3-5-7-20)24(36-26)25-27-16-28-31-25)34-15-19(8-9-21(34)29-17)14-32-10-12-33(13-11-32)18(2)35/h3-9,15-16H,10-14H2,1-2H3,(H,27,28,31).

What are the key properties of 1-[4-[[2-methyl-3-[4-phenyl-5-(1H-1,2,4-triazol-5-yl)-1,3-thiazol-2-yl]imidazo[1,2-a]pyridin-6-yl]methyl]piperazin-1-yl]ethanone?

1-[4-[[2-methyl-3-[4-phenyl-5-(1H-1,2,4-triazol-5-yl)-1,3-thiazol-2-yl]imidazo[1,2-a]pyridin-6-yl]methyl]piperazin-1-yl]ethanone has a molecular weight of 498.62 g/mol, XLogP of 3.88, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[4-[[2-methyl-3-[4-phenyl-5-(1H-1,2,4-triazol-5-yl)-1,3-thiazol-2-yl]imidazo[1,2-a]pyridin-6-yl]methyl]piperazin-1-yl]ethanone is sourced from PubChem (CID 58094909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).