N-[3-[5-(3,3-difluorocyclobutyl)-1,2,4-oxadiazol-3-yl]-2,5-difluoro-6-methylphenyl]-7-morpholin-4-ylimidazo[1,2-a]pyridine-3-carboxamide

C25H22F4N6O3 — CID 170316236

About N-[3-[5-(3,3-difluorocyclobutyl)-1,2,4-oxadiazol-3-yl]-2,5-difluoro-6-methylphenyl]-7-morpholin-4-ylimidazo[1,2-a]pyridine-3-carboxamide

N-[3-[5-(3,3-difluorocyclobutyl)-1,2,4-oxadiazol-3-yl]-2,5-difluoro-6-methylphenyl]-7-morpholin-4-ylimidazo[1,2-a]pyridine-3-carboxamide (PubChem CID 170316236) has the molecular formula C25H22F4N6O3 and a molecular weight of 530.48 g/mol. Its IUPAC name is N-[3-[5-(3,3-difluorocyclobutyl)-1,2,4-oxadiazol-3-yl]-2,5-difluoro-6-methylphenyl]-7-morpholin-4-ylimidazo[1,2-a]pyridine-3-carboxamide.

Molecular Properties

• Compound Name: N-[3-[5-(3,3-difluorocyclobutyl)-1,2,4-oxadiazol-3-yl]-2,5-difluoro-6-methylphenyl]-7-morpholin-4-ylimidazo[1,2-a]pyridine-3-carboxamide
• PubChem CID: 170316236
• Molecular Formula: C25H22F4N6O3
• Molecular Weight: 530.48 g/mol
• Exact Mass: 530.17
• IUPAC Name: N-[3-[5-(3,3-difluorocyclobutyl)-1,2,4-oxadiazol-3-yl]-2,5-difluoro-6-methylphenyl]-7-morpholin-4-ylimidazo[1,2-a]pyridine-3-carboxamide
• SMILES: Cc1c(F)cc(-c2noc(C3CC(F)(F)C3)n2)c(F)c1NC(=O)c1cnc2cc(N3CCOCC3)ccn12
• InChI: InChI=1S/C25H22F4N6O3/c1-13-17(26)9-16(22-32-24(38-33-22)14-10-25(28,29)11-14)20(27)21(13)31-23(36)18-12-30-19-8-15(2-3-35(18)19)34-4-6-37-7-5-34/h2-3,8-9,12,14H,4-7,10-11H2,1H3,(H,31,36)
• InChIKey: ZPPHIJMBRPBDPY-UHFFFAOYSA-N
• XLogP: 4.57
• TPSA: 97.79 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 5
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	530.48
LogP ≤ 5	4.57
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of N-[3-[5-(3,3-difluorocyclobutyl)-1,2,4-oxadiazol-3-yl]-2,5-difluoro-6-methylphenyl]-7-morpholin-4-ylimidazo[1,2-a]pyridine-3-carboxamide?

The IUPAC name of N-[3-[5-(3,3-difluorocyclobutyl)-1,2,4-oxadiazol-3-yl]-2,5-difluoro-6-methylphenyl]-7-morpholin-4-ylimidazo[1,2-a]pyridine-3-carboxamide (CID 170316236) is N-[3-[5-(3,3-difluorocyclobutyl)-1,2,4-oxadiazol-3-yl]-2,5-difluoro-6-methylphenyl]-7-morpholin-4-ylimidazo[1,2-a]pyridine-3-carboxamide.

What is the SMILES notation for N-[3-[5-(3,3-difluorocyclobutyl)-1,2,4-oxadiazol-3-yl]-2,5-difluoro-6-methylphenyl]-7-morpholin-4-ylimidazo[1,2-a]pyridine-3-carboxamide?

The canonical SMILES for N-[3-[5-(3,3-difluorocyclobutyl)-1,2,4-oxadiazol-3-yl]-2,5-difluoro-6-methylphenyl]-7-morpholin-4-ylimidazo[1,2-a]pyridine-3-carboxamide is Cc1c(F)cc(-c2noc(C3CC(F)(F)C3)n2)c(F)c1NC(=O)c1cnc2cc(N3CCOCC3)ccn12.

What is the InChIKey of N-[3-[5-(3,3-difluorocyclobutyl)-1,2,4-oxadiazol-3-yl]-2,5-difluoro-6-methylphenyl]-7-morpholin-4-ylimidazo[1,2-a]pyridine-3-carboxamide?

The InChIKey is ZPPHIJMBRPBDPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22F4N6O3/c1-13-17(26)9-16(22-32-24(38-33-22)14-10-25(28,29)11-14)20(27)21(13)31-23(36)18-12-30-19-8-15(2-3-35(18)19)34-4-6-37-7-5-34/h2-3,8-9,12,14H,4-7,10-11H2,1H3,(H,31,36).

What are the key properties of N-[3-[5-(3,3-difluorocyclobutyl)-1,2,4-oxadiazol-3-yl]-2,5-difluoro-6-methylphenyl]-7-morpholin-4-ylimidazo[1,2-a]pyridine-3-carboxamide?

N-[3-[5-(3,3-difluorocyclobutyl)-1,2,4-oxadiazol-3-yl]-2,5-difluoro-6-methylphenyl]-7-morpholin-4-ylimidazo[1,2-a]pyridine-3-carboxamide has a molecular weight of 530.48 g/mol, XLogP of 4.57, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for N-[3-[5-(3,3-difluorocyclobutyl)-1,2,4-oxadiazol-3-yl]-2,5-difluoro-6-methylphenyl]-7-morpholin-4-ylimidazo[1,2-a]pyridine-3-carboxamide is sourced from PubChem (CID 170316236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).