5,5,5-trifluoro-1-[3-[7-[2-[2-methoxyethyl(methyl)amino]ethoxyiminomethyl]imidazo[1,2-a]pyridin-3-yl]phenyl]pentan-2-one;5,5,5-trifluoro-1-[3-[7-[3-(3-methylpyrrolidin-1-yl)propoxyiminomethyl]imidazo[1,2-a]pyridin-3-yl]phenyl]pentan-2-one;5,5,5-trifluoro-1-[3-[7-[3-(4-propylpiperazin-1-yl)propoxyiminomethyl]imidazo[1,2-a]pyridin-3-yl]phenyl]pentan-2-one

C81H96F9N13O7 — CID 159384848

About 5,5,5-trifluoro-1-[3-[7-[2-[2-methoxyethyl(methyl)amino]ethoxyiminomethyl]imidazo[1,2-a]pyridin-3-yl]phenyl]pentan-2-one;5,5,5-trifluoro-1-[3-[7-[3-(3-methylpyrrolidin-1-yl)propoxyiminomethyl]imidazo[1,2-a]pyridin-3-yl]phenyl]pentan-2-one;5,5,5-trifluoro-1-[3-[7-[3-(4-propylpiperazin-1-yl)propoxyiminomethyl]imidazo[1,2-a]pyridin-3-yl]phenyl]pentan-2-one

5,5,5-trifluoro-1-[3-[7-[2-[2-methoxyethyl(methyl)amino]ethoxyiminomethyl]imidazo[1,2-a]pyridin-3-yl]phenyl]pentan-2-one;5,5,5-trifluoro-1-[3-[7-[3-(3-methylpyrrolidin-1-yl)propoxyiminomethyl]imidazo[1,2-a]pyridin-3-yl]phenyl]pentan-2-one;5,5,5-trifluoro-1-[3-[7-[3-(4-propylpiperazin-1-yl)propoxyiminomethyl]imidazo[1,2-a]pyridin-3-yl]phenyl]pentan-2-one (PubChem CID 159384848) has the molecular formula C81H96F9N13O7 and a molecular weight of 1534.72 g/mol. Its IUPAC name is 5,5,5-trifluoro-1-[3-[7-[2-[2-methoxyethyl(methyl)amino]ethoxyiminomethyl]imidazo[1,2-a]pyridin-3-yl]phenyl]pentan-2-one;5,5,5-trifluoro-1-[3-[7-[3-(3-methylpyrrolidin-1-yl)propoxyiminomethyl]imidazo[1,2-a]pyridin-3-yl]phenyl]pentan-2-one;5,5,5-trifluoro-1-[3-[7-[3-(4-propylpiperazin-1-yl)propoxyiminomethyl]imidazo[1,2-a]pyridin-3-yl]phenyl]pentan-2-one.

Molecular Properties

• Compound Name: 5,5,5-trifluoro-1-[3-[7-[2-[2-methoxyethyl(methyl)amino]ethoxyiminomethyl]imidazo[1,2-a]pyridin-3-yl]phenyl]pentan-2-one;5,5,5-trifluoro-1-[3-[7-[3-(3-methylpyrrolidin-1-yl)propoxyiminomethyl]imidazo[1,2-a]pyridin-3-yl]phenyl]pentan-2-one;5,5,5-trifluoro-1-[3-[7-[3-(4-propylpiperazin-1-yl)propoxyiminomethyl]imidazo[1,2-a]pyridin-3-yl]phenyl]pentan-2-one
• PubChem CID: 159384848
• Molecular Formula: C81H96F9N13O7
• Molecular Weight: 1534.72 g/mol
• Exact Mass: 1533.74
• IUPAC Name: 5,5,5-trifluoro-1-[3-[7-[2-[2-methoxyethyl(methyl)amino]ethoxyiminomethyl]imidazo[1,2-a]pyridin-3-yl]phenyl]pentan-2-one;5,5,5-trifluoro-1-[3-[7-[3-(3-methylpyrrolidin-1-yl)propoxyiminomethyl]imidazo[1,2-a]pyridin-3-yl]phenyl]pentan-2-one;5,5,5-trifluoro-1-[3-[7-[3-(4-propylpiperazin-1-yl)propoxyiminomethyl]imidazo[1,2-a]pyridin-3-yl]phenyl]pentan-2-one
• SMILES: CC1CCN(CCCON=Cc2ccn3c(-c4cccc(CC(=O)CCC(F)(F)F)c4)cnc3c2)C1.CCCN1CCN(CCCON=Cc2ccn3c(-c4cccc(CC(=O)CCC(F)(F)F)c4)cnc3c2)CC1.COCCN(C)CCON=Cc1ccn2c(-c3cccc(CC(=O)CCC(F)(F)F)c3)cnc2c1
• InChI: InChI=1S/C29H36F3N5O2.C27H31F3N4O2.C25H29F3N4O3/c1-2-10-35-13-15-36(16-14-35)11-4-17-39-34-21-24-8-12-37-27(22-33-28(37)20-24)25-6-3-5-23(18-25)19-26(38)7-9-29(30,31)32;1-20-7-11-33(19-20)10-3-13-36-32-17-22-8-12-34-25(18-31-26(34)16-22)23-5-2-4-21(14-23)15-24(35)6-9-27(28,29)30;1-31(10-12-34-2)11-13-35-30-17-20-7-9-32-23(18-29-24(32)16-20)21-5-3-4-19(14-21)15-22(33)6-8-25(26,27)28/h3,5-6,8,12,18,20-22H,2,4,7,9-11,13-17,19H2,1H3;2,4-5,8,12,14,16-18,20H,3,6-7,9-11,13,15,19H2,1H3;3-5,7,9,14,16-18H,6,8,10-13,15H2,1-2H3
• InChIKey: LLJDBSAPGHHKNY-UHFFFAOYSA-N
• XLogP: 15.15
• TPSA: 190.07 Ų
• H-Bond Acceptors: 20
• Rotatable Bonds: 37
• Heavy Atoms: 110
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1534.72
LogP ≤ 5	15.15
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	20

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'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-[2-[2-methoxyethyl(methyl)amino]ethoxyiminomethyl]imidazo[1,2-a]pyridin-3-yl]phenyl]pentan-2-one;5,5,5-trifluoro-1-[3-[7-[3-(3-methylpyrrolidin-1-yl)propoxyiminomethyl]imidazo[1,2-a]pyridin-3-yl]phenyl]pentan-2-one;5,5,5-trifluoro-1-[3-[7-[3-(4-propylpiperazin-1-yl)propoxyiminomethyl]imidazo[1,2-a]pyridin-3-yl]phenyl]pentan-2-one?

The IUPAC name of 5,5,5-trifluoro-1-[3-[7-[2-[2-methoxyethyl(methyl)amino]ethoxyiminomethyl]imidazo[1,2-a]pyridin-3-yl]phenyl]pentan-2-one;5,5,5-trifluoro-1-[3-[7-[3-(3-methylpyrrolidin-1-yl)propoxyiminomethyl]imidazo[1,2-a]pyridin-3-yl]phenyl]pentan-2-one;5,5,5-trifluoro-1-[3-[7-[3-(4-propylpiperazin-1-yl)propoxyiminomethyl]imidazo[1,2-a]pyridin-3-yl]phenyl]pentan-2-one (CID 159384848) is 5,5,5-trifluoro-1-[3-[7-[2-[2-methoxyethyl(methyl)amino]ethoxyiminomethyl]imidazo[1,2-a]pyridin-3-yl]phenyl]pentan-2-one;5,5,5-trifluoro-1-[3-[7-[3-(3-methylpyrrolidin-1-yl)propoxyiminomethyl]imidazo[1,2-a]pyridin-3-yl]phenyl]pentan-2-one;5,5,5-trifluoro-1-[3-[7-[3-(4-propylpiperazin-1-yl)propoxyiminomethyl]imidazo[1,2-a]pyridin-3-yl]phenyl]pentan-2-one.

What is the SMILES notation for 5,5,5-trifluoro-1-[3-[7-[2-[2-methoxyethyl(methyl)amino]ethoxyiminomethyl]imidazo[1,2-a]pyridin-3-yl]phenyl]pentan-2-one;5,5,5-trifluoro-1-[3-[7-[3-(3-methylpyrrolidin-1-yl)propoxyiminomethyl]imidazo[1,2-a]pyridin-3-yl]phenyl]pentan-2-one;5,5,5-trifluoro-1-[3-[7-[3-(4-propylpiperazin-1-yl)propoxyiminomethyl]imidazo[1,2-a]pyridin-3-yl]phenyl]pentan-2-one?

The canonical SMILES for 5,5,5-trifluoro-1-[3-[7-[2-[2-methoxyethyl(methyl)amino]ethoxyiminomethyl]imidazo[1,2-a]pyridin-3-yl]phenyl]pentan-2-one;5,5,5-trifluoro-1-[3-[7-[3-(3-methylpyrrolidin-1-yl)propoxyiminomethyl]imidazo[1,2-a]pyridin-3-yl]phenyl]pentan-2-one;5,5,5-trifluoro-1-[3-[7-[3-(4-propylpiperazin-1-yl)propoxyiminomethyl]imidazo[1,2-a]pyridin-3-yl]phenyl]pentan-2-one is CC1CCN(CCCON=Cc2ccn3c(-c4cccc(CC(=O)CCC(F)(F)F)c4)cnc3c2)C1.CCCN1CCN(CCCON=Cc2ccn3c(-c4cccc(CC(=O)CCC(F)(F)F)c4)cnc3c2)CC1.COCCN(C)CCON=Cc1ccn2c(-c3cccc(CC(=O)CCC(F)(F)F)c3)cnc2c1.

What is the InChIKey of 5,5,5-trifluoro-1-[3-[7-[2-[2-methoxyethyl(methyl)amino]ethoxyiminomethyl]imidazo[1,2-a]pyridin-3-yl]phenyl]pentan-2-one;5,5,5-trifluoro-1-[3-[7-[3-(3-methylpyrrolidin-1-yl)propoxyiminomethyl]imidazo[1,2-a]pyridin-3-yl]phenyl]pentan-2-one;5,5,5-trifluoro-1-[3-[7-[3-(4-propylpiperazin-1-yl)propoxyiminomethyl]imidazo[1,2-a]pyridin-3-yl]phenyl]pentan-2-one?

The InChIKey is LLJDBSAPGHHKNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H36F3N5O2.C27H31F3N4O2.C25H29F3N4O3/c1-2-10-35-13-15-36(16-14-35)11-4-17-39-34-21-24-8-12-37-27(22-33-28(37)20-24)25-6-3-5-23(18-25)19-26(38)7-9-29(30,31)32;1-20-7-11-33(19-20)10-3-13-36-32-17-22-8-12-34-25(18-31-26(34)16-22)23-5-2-4-21(14-23)15-24(35)6-9-27(28,29)30;1-31(10-12-34-2)11-13-35-30-17-20-7-9-32-23(18-29-24(32)16-20)21-5-3-4-19(14-21)15-22(33)6-8-25(26,27)28/h3,5-6,8,12,18,20-22H,2,4,7,9-11,13-17,19H2,1H3;2,4-5,8,12,14,16-18,20H,3,6-7,9-11,13,15,19H2,1H3;3-5,7,9,14,16-18H,6,8,10-13,15H2,1-2H3.

What are the key properties of 5,5,5-trifluoro-1-[3-[7-[2-[2-methoxyethyl(methyl)amino]ethoxyiminomethyl]imidazo[1,2-a]pyridin-3-yl]phenyl]pentan-2-one;5,5,5-trifluoro-1-[3-[7-[3-(3-methylpyrrolidin-1-yl)propoxyiminomethyl]imidazo[1,2-a]pyridin-3-yl]phenyl]pentan-2-one;5,5,5-trifluoro-1-[3-[7-[3-(4-propylpiperazin-1-yl)propoxyiminomethyl]imidazo[1,2-a]pyridin-3-yl]phenyl]pentan-2-one?

5,5,5-trifluoro-1-[3-[7-[2-[2-methoxyethyl(methyl)amino]ethoxyiminomethyl]imidazo[1,2-a]pyridin-3-yl]phenyl]pentan-2-one;5,5,5-trifluoro-1-[3-[7-[3-(3-methylpyrrolidin-1-yl)propoxyiminomethyl]imidazo[1,2-a]pyridin-3-yl]phenyl]pentan-2-one;5,5,5-trifluoro-1-[3-[7-[3-(4-propylpiperazin-1-yl)propoxyiminomethyl]imidazo[1,2-a]pyridin-3-yl]phenyl]pentan-2-one has a molecular weight of 1534.72 g/mol, XLogP of 15.15, 37 rotatable bonds, 0 hydrogen bond donors, and 20 hydrogen bond acceptors.

Where does this data come from?

All data for 5,5,5-trifluoro-1-[3-[7-[2-[2-methoxyethyl(methyl)amino]ethoxyiminomethyl]imidazo[1,2-a]pyridin-3-yl]phenyl]pentan-2-one;5,5,5-trifluoro-1-[3-[7-[3-(3-methylpyrrolidin-1-yl)propoxyiminomethyl]imidazo[1,2-a]pyridin-3-yl]phenyl]pentan-2-one;5,5,5-trifluoro-1-[3-[7-[3-(4-propylpiperazin-1-yl)propoxyiminomethyl]imidazo[1,2-a]pyridin-3-yl]phenyl]pentan-2-one is sourced from PubChem (CID 159384848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).