6-bromo-N-[5-[5-(3,3-difluorocyclobutyl)-1,2,4-oxadiazol-3-yl]-2-methylphenyl]imidazo[1,2-a]pyridine-3-carboxamide;6-bromoimidazo[1,2-a]pyridine-3-carboxylic acid;5-[5-(3,3-difluorocyclobutyl)-1,2,4-oxadiazol-3-yl]-2-methylaniline

C42H34Br2F4N10O5 — CID 157398913

About 6-bromo-N-[5-[5-(3,3-difluorocyclobutyl)-1,2,4-oxadiazol-3-yl]-2-methylphenyl]imidazo[1,2-a]pyridine-3-carboxamide;6-bromoimidazo[1,2-a]pyridine-3-carboxylic acid;5-[5-(3,3-difluorocyclobutyl)-1,2,4-oxadiazol-3-yl]-2-methylaniline

6-bromo-N-[5-[5-(3,3-difluorocyclobutyl)-1,2,4-oxadiazol-3-yl]-2-methylphenyl]imidazo[1,2-a]pyridine-3-carboxamide;6-bromoimidazo[1,2-a]pyridine-3-carboxylic acid;5-[5-(3,3-difluorocyclobutyl)-1,2,4-oxadiazol-3-yl]-2-methylaniline (PubChem CID 157398913) has the molecular formula C42H34Br2F4N10O5 and a molecular weight of 994.60 g/mol. Its IUPAC name is 6-bromo-N-[5-[5-(3,3-difluorocyclobutyl)-1,2,4-oxadiazol-3-yl]-2-methylphenyl]imidazo[1,2-a]pyridine-3-carboxamide;6-bromoimidazo[1,2-a]pyridine-3-carboxylic acid;5-[5-(3,3-difluorocyclobutyl)-1,2,4-oxadiazol-3-yl]-2-methylaniline.

Molecular Properties

• Compound Name: 6-bromo-N-[5-[5-(3,3-difluorocyclobutyl)-1,2,4-oxadiazol-3-yl]-2-methylphenyl]imidazo[1,2-a]pyridine-3-carboxamide;6-bromoimidazo[1,2-a]pyridine-3-carboxylic acid;5-[5-(3,3-difluorocyclobutyl)-1,2,4-oxadiazol-3-yl]-2-methylaniline
• PubChem CID: 157398913
• Molecular Formula: C42H34Br2F4N10O5
• Molecular Weight: 994.60 g/mol
• Exact Mass: 992.10
• IUPAC Name: 6-bromo-N-[5-[5-(3,3-difluorocyclobutyl)-1,2,4-oxadiazol-3-yl]-2-methylphenyl]imidazo[1,2-a]pyridine-3-carboxamide;6-bromoimidazo[1,2-a]pyridine-3-carboxylic acid;5-[5-(3,3-difluorocyclobutyl)-1,2,4-oxadiazol-3-yl]-2-methylaniline
• SMILES: Cc1ccc(-c2noc(C3CC(F)(F)C3)n2)cc1N.Cc1ccc(-c2noc(C3CC(F)(F)C3)n2)cc1NC(=O)c1cnc2ccc(Br)cn12.O=C(O)c1cnc2ccc(Br)cn12
• InChI: InChI=1S/C21H16BrF2N5O2.C13H13F2N3O.C8H5BrN2O2/c1-11-2-3-12(18-27-20(31-28-18)13-7-21(23,24)8-13)6-15(11)26-19(30)16-9-25-17-5-4-14(22)10-29(16)17;1-7-2-3-8(4-10(7)16)11-17-12(19-18-11)9-5-13(14,15)6-9;9-5-1-2-7-10-3-6(8(12)13)11(7)4-5/h2-6,9-10,13H,7-8H2,1H3,(H,26,30);2-4,9H,5-6,16H2,1H3;1-4H,(H,12,13)
• InChIKey: BMXHJJAOLDYTQP-UHFFFAOYSA-N
• XLogP: 10.16
• TPSA: 204.86 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 13
• Rotatable Bonds: 7
• Heavy Atoms: 63
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	994.60
LogP ≤ 5	10.16
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	13

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'aniline', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 6-bromo-N-[5-[5-(3,3-difluorocyclobutyl)-1,2,4-oxadiazol-3-yl]-2-methylphenyl]imidazo[1,2-a]pyridine-3-carboxamide;6-bromoimidazo[1,2-a]pyridine-3-carboxylic acid;5-[5-(3,3-difluorocyclobutyl)-1,2,4-oxadiazol-3-yl]-2-methylaniline?

The IUPAC name of 6-bromo-N-[5-[5-(3,3-difluorocyclobutyl)-1,2,4-oxadiazol-3-yl]-2-methylphenyl]imidazo[1,2-a]pyridine-3-carboxamide;6-bromoimidazo[1,2-a]pyridine-3-carboxylic acid;5-[5-(3,3-difluorocyclobutyl)-1,2,4-oxadiazol-3-yl]-2-methylaniline (CID 157398913) is 6-bromo-N-[5-[5-(3,3-difluorocyclobutyl)-1,2,4-oxadiazol-3-yl]-2-methylphenyl]imidazo[1,2-a]pyridine-3-carboxamide;6-bromoimidazo[1,2-a]pyridine-3-carboxylic acid;5-[5-(3,3-difluorocyclobutyl)-1,2,4-oxadiazol-3-yl]-2-methylaniline.

What is the SMILES notation for 6-bromo-N-[5-[5-(3,3-difluorocyclobutyl)-1,2,4-oxadiazol-3-yl]-2-methylphenyl]imidazo[1,2-a]pyridine-3-carboxamide;6-bromoimidazo[1,2-a]pyridine-3-carboxylic acid;5-[5-(3,3-difluorocyclobutyl)-1,2,4-oxadiazol-3-yl]-2-methylaniline?

The canonical SMILES for 6-bromo-N-[5-[5-(3,3-difluorocyclobutyl)-1,2,4-oxadiazol-3-yl]-2-methylphenyl]imidazo[1,2-a]pyridine-3-carboxamide;6-bromoimidazo[1,2-a]pyridine-3-carboxylic acid;5-[5-(3,3-difluorocyclobutyl)-1,2,4-oxadiazol-3-yl]-2-methylaniline is Cc1ccc(-c2noc(C3CC(F)(F)C3)n2)cc1N.Cc1ccc(-c2noc(C3CC(F)(F)C3)n2)cc1NC(=O)c1cnc2ccc(Br)cn12.O=C(O)c1cnc2ccc(Br)cn12.

What is the InChIKey of 6-bromo-N-[5-[5-(3,3-difluorocyclobutyl)-1,2,4-oxadiazol-3-yl]-2-methylphenyl]imidazo[1,2-a]pyridine-3-carboxamide;6-bromoimidazo[1,2-a]pyridine-3-carboxylic acid;5-[5-(3,3-difluorocyclobutyl)-1,2,4-oxadiazol-3-yl]-2-methylaniline?

The InChIKey is BMXHJJAOLDYTQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16BrF2N5O2.C13H13F2N3O.C8H5BrN2O2/c1-11-2-3-12(18-27-20(31-28-18)13-7-21(23,24)8-13)6-15(11)26-19(30)16-9-25-17-5-4-14(22)10-29(16)17;1-7-2-3-8(4-10(7)16)11-17-12(19-18-11)9-5-13(14,15)6-9;9-5-1-2-7-10-3-6(8(12)13)11(7)4-5/h2-6,9-10,13H,7-8H2,1H3,(H,26,30);2-4,9H,5-6,16H2,1H3;1-4H,(H,12,13).

What are the key properties of 6-bromo-N-[5-[5-(3,3-difluorocyclobutyl)-1,2,4-oxadiazol-3-yl]-2-methylphenyl]imidazo[1,2-a]pyridine-3-carboxamide;6-bromoimidazo[1,2-a]pyridine-3-carboxylic acid;5-[5-(3,3-difluorocyclobutyl)-1,2,4-oxadiazol-3-yl]-2-methylaniline?

6-bromo-N-[5-[5-(3,3-difluorocyclobutyl)-1,2,4-oxadiazol-3-yl]-2-methylphenyl]imidazo[1,2-a]pyridine-3-carboxamide;6-bromoimidazo[1,2-a]pyridine-3-carboxylic acid;5-[5-(3,3-difluorocyclobutyl)-1,2,4-oxadiazol-3-yl]-2-methylaniline has a molecular weight of 994.60 g/mol, XLogP of 10.16, 7 rotatable bonds, 3 hydrogen bond donors, and 13 hydrogen bond acceptors.

Where does this data come from?

All data for 6-bromo-N-[5-[5-(3,3-difluorocyclobutyl)-1,2,4-oxadiazol-3-yl]-2-methylphenyl]imidazo[1,2-a]pyridine-3-carboxamide;6-bromoimidazo[1,2-a]pyridine-3-carboxylic acid;5-[5-(3,3-difluorocyclobutyl)-1,2,4-oxadiazol-3-yl]-2-methylaniline is sourced from PubChem (CID 157398913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).