N-[5-[5-(3,3-difluorocyclobutyl)-1,2,4-oxadiazol-3-yl]-2-methylphenyl]-7-piperazin-1-ylimidazo[1,2-a]pyridine-3-carboxamide;fluoromethane

C26H28F3N7O2 — CID 169268620

About N-[5-[5-(3,3-difluorocyclobutyl)-1,2,4-oxadiazol-3-yl]-2-methylphenyl]-7-piperazin-1-ylimidazo[1,2-a]pyridine-3-carboxamide;fluoromethane

N-[5-[5-(3,3-difluorocyclobutyl)-1,2,4-oxadiazol-3-yl]-2-methylphenyl]-7-piperazin-1-ylimidazo[1,2-a]pyridine-3-carboxamide;fluoromethane (PubChem CID 169268620) has the molecular formula C26H28F3N7O2 and a molecular weight of 527.55 g/mol. Its IUPAC name is N-[5-[5-(3,3-difluorocyclobutyl)-1,2,4-oxadiazol-3-yl]-2-methylphenyl]-7-piperazin-1-ylimidazo[1,2-a]pyridine-3-carboxamide;fluoromethane.

Molecular Properties

• Compound Name: N-[5-[5-(3,3-difluorocyclobutyl)-1,2,4-oxadiazol-3-yl]-2-methylphenyl]-7-piperazin-1-ylimidazo[1,2-a]pyridine-3-carboxamide;fluoromethane
• PubChem CID: 169268620
• Molecular Formula: C26H28F3N7O2
• Molecular Weight: 527.55 g/mol
• Exact Mass: 527.23
• IUPAC Name: N-[5-[5-(3,3-difluorocyclobutyl)-1,2,4-oxadiazol-3-yl]-2-methylphenyl]-7-piperazin-1-ylimidazo[1,2-a]pyridine-3-carboxamide;fluoromethane
• SMILES: CF.Cc1ccc(-c2noc(C3CC(F)(F)C3)n2)cc1NC(=O)c1cnc2cc(N3CCNCC3)ccn12
• InChI: InChI=1S/C25H25F2N7O2.CH3F/c1-15-2-3-16(22-31-24(36-32-22)17-12-25(26,27)13-17)10-19(15)30-23(35)20-14-29-21-11-18(4-7-34(20)21)33-8-5-28-6-9-33;1-2/h2-4,7,10-11,14,17,28H,5-6,8-9,12-13H2,1H3,(H,30,35);1H3
• InChIKey: XLGJXCLNEKFEDA-UHFFFAOYSA-N
• XLogP: 4.45
• TPSA: 100.59 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 5
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	527.55
LogP ≤ 5	4.45
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of N-[5-[5-(3,3-difluorocyclobutyl)-1,2,4-oxadiazol-3-yl]-2-methylphenyl]-7-piperazin-1-ylimidazo[1,2-a]pyridine-3-carboxamide;fluoromethane?

The IUPAC name of N-[5-[5-(3,3-difluorocyclobutyl)-1,2,4-oxadiazol-3-yl]-2-methylphenyl]-7-piperazin-1-ylimidazo[1,2-a]pyridine-3-carboxamide;fluoromethane (CID 169268620) is N-[5-[5-(3,3-difluorocyclobutyl)-1,2,4-oxadiazol-3-yl]-2-methylphenyl]-7-piperazin-1-ylimidazo[1,2-a]pyridine-3-carboxamide;fluoromethane.

What is the SMILES notation for N-[5-[5-(3,3-difluorocyclobutyl)-1,2,4-oxadiazol-3-yl]-2-methylphenyl]-7-piperazin-1-ylimidazo[1,2-a]pyridine-3-carboxamide;fluoromethane?

The canonical SMILES for N-[5-[5-(3,3-difluorocyclobutyl)-1,2,4-oxadiazol-3-yl]-2-methylphenyl]-7-piperazin-1-ylimidazo[1,2-a]pyridine-3-carboxamide;fluoromethane is CF.Cc1ccc(-c2noc(C3CC(F)(F)C3)n2)cc1NC(=O)c1cnc2cc(N3CCNCC3)ccn12.

What is the InChIKey of N-[5-[5-(3,3-difluorocyclobutyl)-1,2,4-oxadiazol-3-yl]-2-methylphenyl]-7-piperazin-1-ylimidazo[1,2-a]pyridine-3-carboxamide;fluoromethane?

The InChIKey is XLGJXCLNEKFEDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25F2N7O2.CH3F/c1-15-2-3-16(22-31-24(36-32-22)17-12-25(26,27)13-17)10-19(15)30-23(35)20-14-29-21-11-18(4-7-34(20)21)33-8-5-28-6-9-33;1-2/h2-4,7,10-11,14,17,28H,5-6,8-9,12-13H2,1H3,(H,30,35);1H3.

What are the key properties of N-[5-[5-(3,3-difluorocyclobutyl)-1,2,4-oxadiazol-3-yl]-2-methylphenyl]-7-piperazin-1-ylimidazo[1,2-a]pyridine-3-carboxamide;fluoromethane?

N-[5-[5-(3,3-difluorocyclobutyl)-1,2,4-oxadiazol-3-yl]-2-methylphenyl]-7-piperazin-1-ylimidazo[1,2-a]pyridine-3-carboxamide;fluoromethane has a molecular weight of 527.55 g/mol, XLogP of 4.45, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for N-[5-[5-(3,3-difluorocyclobutyl)-1,2,4-oxadiazol-3-yl]-2-methylphenyl]-7-piperazin-1-ylimidazo[1,2-a]pyridine-3-carboxamide;fluoromethane is sourced from PubChem (CID 169268620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).