2-tert-butyl-4-[[7-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]imidazo[1,2-a]pyridin-2-yl]methyl-phenylsulfamoyl]piperazine-1-carboxylic acid

C26H29F2N7O5S — CID 168860041

About 2-tert-butyl-4-[[7-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]imidazo[1,2-a]pyridin-2-yl]methyl-phenylsulfamoyl]piperazine-1-carboxylic acid

2-tert-butyl-4-[[7-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]imidazo[1,2-a]pyridin-2-yl]methyl-phenylsulfamoyl]piperazine-1-carboxylic acid (PubChem CID 168860041) has the molecular formula C26H29F2N7O5S and a molecular weight of 589.63 g/mol. Its IUPAC name is 2-tert-butyl-4-[[7-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]imidazo[1,2-a]pyridin-2-yl]methyl-phenylsulfamoyl]piperazine-1-carboxylic acid.

Molecular Properties

• Compound Name: 2-tert-butyl-4-[[7-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]imidazo[1,2-a]pyridin-2-yl]methyl-phenylsulfamoyl]piperazine-1-carboxylic acid
• PubChem CID: 168860041
• Molecular Formula: C26H29F2N7O5S
• Molecular Weight: 589.63 g/mol
• Exact Mass: 589.19
• IUPAC Name: 2-tert-butyl-4-[[7-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]imidazo[1,2-a]pyridin-2-yl]methyl-phenylsulfamoyl]piperazine-1-carboxylic acid
• SMILES: CC(C)(C)C1CN(S(=O)(=O)N(Cc2cn3ccc(-c4nnc(C(F)F)o4)cc3n2)c2ccccc2)CCN1C(=O)O
• InChI: InChI=1S/C26H29F2N7O5S/c1-26(2,3)20-16-33(11-12-34(20)25(36)37)41(38,39)35(19-7-5-4-6-8-19)15-18-14-32-10-9-17(13-21(32)29-18)23-30-31-24(40-23)22(27)28/h4-10,13-14,20,22H,11-12,15-16H2,1-3H3,(H,36,37)
• InChIKey: DSPNVKCSTNCKPM-UHFFFAOYSA-N
• XLogP: 4.28
• TPSA: 137.38 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 7
• Heavy Atoms: 41
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	589.63
LogP ≤ 5	4.28
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-4-[[7-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]imidazo[1,2-a]pyridin-2-yl]methyl-phenylsulfamoyl]piperazine-1-carboxylic acid?

The IUPAC name of 2-tert-butyl-4-[[7-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]imidazo[1,2-a]pyridin-2-yl]methyl-phenylsulfamoyl]piperazine-1-carboxylic acid (CID 168860041) is 2-tert-butyl-4-[[7-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]imidazo[1,2-a]pyridin-2-yl]methyl-phenylsulfamoyl]piperazine-1-carboxylic acid.

What is the SMILES notation for 2-tert-butyl-4-[[7-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]imidazo[1,2-a]pyridin-2-yl]methyl-phenylsulfamoyl]piperazine-1-carboxylic acid?

The canonical SMILES for 2-tert-butyl-4-[[7-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]imidazo[1,2-a]pyridin-2-yl]methyl-phenylsulfamoyl]piperazine-1-carboxylic acid is CC(C)(C)C1CN(S(=O)(=O)N(Cc2cn3ccc(-c4nnc(C(F)F)o4)cc3n2)c2ccccc2)CCN1C(=O)O.

What is the InChIKey of 2-tert-butyl-4-[[7-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]imidazo[1,2-a]pyridin-2-yl]methyl-phenylsulfamoyl]piperazine-1-carboxylic acid?

The InChIKey is DSPNVKCSTNCKPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H29F2N7O5S/c1-26(2,3)20-16-33(11-12-34(20)25(36)37)41(38,39)35(19-7-5-4-6-8-19)15-18-14-32-10-9-17(13-21(32)29-18)23-30-31-24(40-23)22(27)28/h4-10,13-14,20,22H,11-12,15-16H2,1-3H3,(H,36,37).

What are the key properties of 2-tert-butyl-4-[[7-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]imidazo[1,2-a]pyridin-2-yl]methyl-phenylsulfamoyl]piperazine-1-carboxylic acid?

2-tert-butyl-4-[[7-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]imidazo[1,2-a]pyridin-2-yl]methyl-phenylsulfamoyl]piperazine-1-carboxylic acid has a molecular weight of 589.63 g/mol, XLogP of 4.28, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 2-tert-butyl-4-[[7-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]imidazo[1,2-a]pyridin-2-yl]methyl-phenylsulfamoyl]piperazine-1-carboxylic acid is sourced from PubChem (CID 168860041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).