5,5,5-trifluoro-1-[3-[7-[(1-methylpiperidin-4-yl)oxyiminomethyl]imidazo[1,2-a]pyridin-3-yl]phenyl]pentan-2-one

C25H27F3N4O2 — CID 76661878

About 5,5,5-trifluoro-1-[3-[7-[(1-methylpiperidin-4-yl)oxyiminomethyl]imidazo[1,2-a]pyridin-3-yl]phenyl]pentan-2-one

5,5,5-trifluoro-1-[3-[7-[(1-methylpiperidin-4-yl)oxyiminomethyl]imidazo[1,2-a]pyridin-3-yl]phenyl]pentan-2-one (PubChem CID 76661878) has the molecular formula C25H27F3N4O2 and a molecular weight of 472.51 g/mol. Its IUPAC name is 5,5,5-trifluoro-1-[3-[7-[(1-methylpiperidin-4-yl)oxyiminomethyl]imidazo[1,2-a]pyridin-3-yl]phenyl]pentan-2-one.

Molecular Properties

• Compound Name: 5,5,5-trifluoro-1-[3-[7-[(1-methylpiperidin-4-yl)oxyiminomethyl]imidazo[1,2-a]pyridin-3-yl]phenyl]pentan-2-one
• PubChem CID: 76661878
• Molecular Formula: C25H27F3N4O2
• Molecular Weight: 472.51 g/mol
• Exact Mass: 472.21
• IUPAC Name: 5,5,5-trifluoro-1-[3-[7-[(1-methylpiperidin-4-yl)oxyiminomethyl]imidazo[1,2-a]pyridin-3-yl]phenyl]pentan-2-one
• SMILES: CN1CCC(ON=Cc2ccn3c(-c4cccc(CC(=O)CCC(F)(F)F)c4)cnc3c2)CC1
• InChI: InChI=1S/C25H27F3N4O2/c1-31-10-7-22(8-11-31)34-30-16-19-6-12-32-23(17-29-24(32)15-19)20-4-2-3-18(13-20)14-21(33)5-9-25(26,27)28/h2-4,6,12-13,15-17,22H,5,7-11,14H2,1H3
• InChIKey: CWSLYMXVDPFFCJ-UHFFFAOYSA-N
• XLogP: 4.90
• TPSA: 59.20 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 8
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	472.51
LogP ≤ 5	4.90
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 5,5,5-trifluoro-1-[3-[7-[(1-methylpiperidin-4-yl)oxyiminomethyl]imidazo[1,2-a]pyridin-3-yl]phenyl]pentan-2-one?

The IUPAC name of 5,5,5-trifluoro-1-[3-[7-[(1-methylpiperidin-4-yl)oxyiminomethyl]imidazo[1,2-a]pyridin-3-yl]phenyl]pentan-2-one (CID 76661878) is 5,5,5-trifluoro-1-[3-[7-[(1-methylpiperidin-4-yl)oxyiminomethyl]imidazo[1,2-a]pyridin-3-yl]phenyl]pentan-2-one.

What is the SMILES notation for 5,5,5-trifluoro-1-[3-[7-[(1-methylpiperidin-4-yl)oxyiminomethyl]imidazo[1,2-a]pyridin-3-yl]phenyl]pentan-2-one?

The canonical SMILES for 5,5,5-trifluoro-1-[3-[7-[(1-methylpiperidin-4-yl)oxyiminomethyl]imidazo[1,2-a]pyridin-3-yl]phenyl]pentan-2-one is CN1CCC(ON=Cc2ccn3c(-c4cccc(CC(=O)CCC(F)(F)F)c4)cnc3c2)CC1.

What is the InChIKey of 5,5,5-trifluoro-1-[3-[7-[(1-methylpiperidin-4-yl)oxyiminomethyl]imidazo[1,2-a]pyridin-3-yl]phenyl]pentan-2-one?

The InChIKey is CWSLYMXVDPFFCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27F3N4O2/c1-31-10-7-22(8-11-31)34-30-16-19-6-12-32-23(17-29-24(32)15-19)20-4-2-3-18(13-20)14-21(33)5-9-25(26,27)28/h2-4,6,12-13,15-17,22H,5,7-11,14H2,1H3.

What are the key properties of 5,5,5-trifluoro-1-[3-[7-[(1-methylpiperidin-4-yl)oxyiminomethyl]imidazo[1,2-a]pyridin-3-yl]phenyl]pentan-2-one?

5,5,5-trifluoro-1-[3-[7-[(1-methylpiperidin-4-yl)oxyiminomethyl]imidazo[1,2-a]pyridin-3-yl]phenyl]pentan-2-one has a molecular weight of 472.51 g/mol, XLogP of 4.90, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 5,5,5-trifluoro-1-[3-[7-[(1-methylpiperidin-4-yl)oxyiminomethyl]imidazo[1,2-a]pyridin-3-yl]phenyl]pentan-2-one is sourced from PubChem (CID 76661878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).