1-[3-[7-(butoxyiminomethyl)imidazo[1,2-a]pyridin-3-yl]phenyl]-5,5,5-trifluoropentan-2-one;5,5,5-trifluoro-1-[3-[7-[2-(2-methoxyethoxy)ethoxyiminomethyl]imidazo[1,2-a]pyridin-3-yl]phenyl]pentan-2-one;5,5,5-trifluoro-1-[3-[7-(3-piperidin-1-ylpropoxyiminomethyl)imidazo[1,2-a]pyridin-3-yl]phenyl]pentan-2-one;5,5,5-trifluoro-1-[3-[7-(pyridin-4-ylmethoxyiminomethyl)imidazo[1,2-a]pyridin-3-yl]phenyl]pentan-2-one

C99H102F12N14O10 — CID 159007184

About 1-[3-[7-(butoxyiminomethyl)imidazo[1,2-a]pyridin-3-yl]phenyl]-5,5,5-trifluoropentan-2-one;5,5,5-trifluoro-1-[3-[7-[2-(2-methoxyethoxy)ethoxyiminomethyl]imidazo[1,2-a]pyridin-3-yl]phenyl]pentan-2-one;5,5,5-trifluoro-1-[3-[7-(3-piperidin-1-ylpropoxyiminomethyl)imidazo[1,2-a]pyridin-3-yl]phenyl]pentan-2-one;5,5,5-trifluoro-1-[3-[7-(pyridin-4-ylmethoxyiminomethyl)imidazo[1,2-a]pyridin-3-yl]phenyl]pentan-2-one

1-[3-[7-(butoxyiminomethyl)imidazo[1,2-a]pyridin-3-yl]phenyl]-5,5,5-trifluoropentan-2-one;5,5,5-trifluoro-1-[3-[7-[2-(2-methoxyethoxy)ethoxyiminomethyl]imidazo[1,2-a]pyridin-3-yl]phenyl]pentan-2-one;5,5,5-trifluoro-1-[3-[7-(3-piperidin-1-ylpropoxyiminomethyl)imidazo[1,2-a]pyridin-3-yl]phenyl]pentan-2-one;5,5,5-trifluoro-1-[3-[7-(pyridin-4-ylmethoxyiminomethyl)imidazo[1,2-a]pyridin-3-yl]phenyl]pentan-2-one (PubChem CID 159007184) has the molecular formula C99H102F12N14O10 and a molecular weight of 1875.97 g/mol. Its IUPAC name is 1-[3-[7-(butoxyiminomethyl)imidazo[1,2-a]pyridin-3-yl]phenyl]-5,5,5-trifluoropentan-2-one;5,5,5-trifluoro-1-[3-[7-[2-(2-methoxyethoxy)ethoxyiminomethyl]imidazo[1,2-a]pyridin-3-yl]phenyl]pentan-2-one;5,5,5-trifluoro-1-[3-[7-(3-piperidin-1-ylpropoxyiminomethyl)imidazo[1,2-a]pyridin-3-yl]phenyl]pentan-2-one;5,5,5-trifluoro-1-[3-[7-(pyridin-4-ylmethoxyiminomethyl)imidazo[1,2-a]pyridin-3-yl]phenyl]pentan-2-one.

Molecular Properties

• Compound Name: 1-[3-[7-(butoxyiminomethyl)imidazo[1,2-a]pyridin-3-yl]phenyl]-5,5,5-trifluoropentan-2-one;5,5,5-trifluoro-1-[3-[7-[2-(2-methoxyethoxy)ethoxyiminomethyl]imidazo[1,2-a]pyridin-3-yl]phenyl]pentan-2-one;5,5,5-trifluoro-1-[3-[7-(3-piperidin-1-ylpropoxyiminomethyl)imidazo[1,2-a]pyridin-3-yl]phenyl]pentan-2-one;5,5,5-trifluoro-1-[3-[7-(pyridin-4-ylmethoxyiminomethyl)imidazo[1,2-a]pyridin-3-yl]phenyl]pentan-2-one
• PubChem CID: 159007184
• Molecular Formula: C99H102F12N14O10
• Molecular Weight: 1875.97 g/mol
• Exact Mass: 1874.77
• IUPAC Name: 1-[3-[7-(butoxyiminomethyl)imidazo[1,2-a]pyridin-3-yl]phenyl]-5,5,5-trifluoropentan-2-one;5,5,5-trifluoro-1-[3-[7-[2-(2-methoxyethoxy)ethoxyiminomethyl]imidazo[1,2-a]pyridin-3-yl]phenyl]pentan-2-one;5,5,5-trifluoro-1-[3-[7-(3-piperidin-1-ylpropoxyiminomethyl)imidazo[1,2-a]pyridin-3-yl]phenyl]pentan-2-one;5,5,5-trifluoro-1-[3-[7-(pyridin-4-ylmethoxyiminomethyl)imidazo[1,2-a]pyridin-3-yl]phenyl]pentan-2-one
• SMILES: CCCCON=Cc1ccn2c(-c3cccc(CC(=O)CCC(F)(F)F)c3)cnc2c1.COCCOCCON=Cc1ccn2c(-c3cccc(CC(=O)CCC(F)(F)F)c3)cnc2c1.O=C(CCC(F)(F)F)Cc1cccc(-c2cnc3cc(C=NOCCCN4CCCCC4)ccn23)c1.O=C(CCC(F)(F)F)Cc1cccc(-c2cnc3cc(C=NOCc4ccncc4)ccn23)c1
• InChI: InChI=1S/C27H31F3N4O2.C25H21F3N4O2.C24H26F3N3O4.C23H24F3N3O2/c28-27(29,30)10-8-24(35)17-21-6-4-7-23(16-21)25-20-31-26-18-22(9-14-34(25)26)19-32-36-15-5-13-33-11-2-1-3-12-33;26-25(27,28)8-4-22(33)13-19-2-1-3-21(12-19)23-16-30-24-14-20(7-11-32(23)24)15-31-34-17-18-5-9-29-10-6-18;1-32-9-10-33-11-12-34-29-16-19-6-8-30-22(17-28-23(30)15-19)20-4-2-3-18(13-20)14-21(31)5-7-24(25,26)27;1-2-3-11-31-28-15-18-8-10-29-21(16-27-22(29)14-18)19-6-4-5-17(12-19)13-20(30)7-9-23(24,25)26/h4,6-7,9,14,16,18-20H,1-3,5,8,10-13,15,17H2;1-3,5-7,9-12,14-16H,4,8,13,17H2;2-4,6,8,13,15-17H,5,7,9-12,14H2,1H3;4-6,8,10,12,14-16H,2-3,7,9,11,13H2,1H3
• InChIKey: JSBLBOVTCDBKEP-UHFFFAOYSA-N
• XLogP: 21.16
• TPSA: 258.43 Ų
• H-Bond Acceptors: 24
• Rotatable Bonds: 43
• Heavy Atoms: 135
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1875.97
LogP ≤ 5	21.16
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	24

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 1-[3-[7-(butoxyiminomethyl)imidazo[1,2-a]pyridin-3-yl]phenyl]-5,5,5-trifluoropentan-2-one;5,5,5-trifluoro-1-[3-[7-[2-(2-methoxyethoxy)ethoxyiminomethyl]imidazo[1,2-a]pyridin-3-yl]phenyl]pentan-2-one;5,5,5-trifluoro-1-[3-[7-(3-piperidin-1-ylpropoxyiminomethyl)imidazo[1,2-a]pyridin-3-yl]phenyl]pentan-2-one;5,5,5-trifluoro-1-[3-[7-(pyridin-4-ylmethoxyiminomethyl)imidazo[1,2-a]pyridin-3-yl]phenyl]pentan-2-one?

The IUPAC name of 1-[3-[7-(butoxyiminomethyl)imidazo[1,2-a]pyridin-3-yl]phenyl]-5,5,5-trifluoropentan-2-one;5,5,5-trifluoro-1-[3-[7-[2-(2-methoxyethoxy)ethoxyiminomethyl]imidazo[1,2-a]pyridin-3-yl]phenyl]pentan-2-one;5,5,5-trifluoro-1-[3-[7-(3-piperidin-1-ylpropoxyiminomethyl)imidazo[1,2-a]pyridin-3-yl]phenyl]pentan-2-one;5,5,5-trifluoro-1-[3-[7-(pyridin-4-ylmethoxyiminomethyl)imidazo[1,2-a]pyridin-3-yl]phenyl]pentan-2-one (CID 159007184) is 1-[3-[7-(butoxyiminomethyl)imidazo[1,2-a]pyridin-3-yl]phenyl]-5,5,5-trifluoropentan-2-one;5,5,5-trifluoro-1-[3-[7-[2-(2-methoxyethoxy)ethoxyiminomethyl]imidazo[1,2-a]pyridin-3-yl]phenyl]pentan-2-one;5,5,5-trifluoro-1-[3-[7-(3-piperidin-1-ylpropoxyiminomethyl)imidazo[1,2-a]pyridin-3-yl]phenyl]pentan-2-one;5,5,5-trifluoro-1-[3-[7-(pyridin-4-ylmethoxyiminomethyl)imidazo[1,2-a]pyridin-3-yl]phenyl]pentan-2-one.

What is the SMILES notation for 1-[3-[7-(butoxyiminomethyl)imidazo[1,2-a]pyridin-3-yl]phenyl]-5,5,5-trifluoropentan-2-one;5,5,5-trifluoro-1-[3-[7-[2-(2-methoxyethoxy)ethoxyiminomethyl]imidazo[1,2-a]pyridin-3-yl]phenyl]pentan-2-one;5,5,5-trifluoro-1-[3-[7-(3-piperidin-1-ylpropoxyiminomethyl)imidazo[1,2-a]pyridin-3-yl]phenyl]pentan-2-one;5,5,5-trifluoro-1-[3-[7-(pyridin-4-ylmethoxyiminomethyl)imidazo[1,2-a]pyridin-3-yl]phenyl]pentan-2-one?

The canonical SMILES for 1-[3-[7-(butoxyiminomethyl)imidazo[1,2-a]pyridin-3-yl]phenyl]-5,5,5-trifluoropentan-2-one;5,5,5-trifluoro-1-[3-[7-[2-(2-methoxyethoxy)ethoxyiminomethyl]imidazo[1,2-a]pyridin-3-yl]phenyl]pentan-2-one;5,5,5-trifluoro-1-[3-[7-(3-piperidin-1-ylpropoxyiminomethyl)imidazo[1,2-a]pyridin-3-yl]phenyl]pentan-2-one;5,5,5-trifluoro-1-[3-[7-(pyridin-4-ylmethoxyiminomethyl)imidazo[1,2-a]pyridin-3-yl]phenyl]pentan-2-one is CCCCON=Cc1ccn2c(-c3cccc(CC(=O)CCC(F)(F)F)c3)cnc2c1.COCCOCCON=Cc1ccn2c(-c3cccc(CC(=O)CCC(F)(F)F)c3)cnc2c1.O=C(CCC(F)(F)F)Cc1cccc(-c2cnc3cc(C=NOCCCN4CCCCC4)ccn23)c1.O=C(CCC(F)(F)F)Cc1cccc(-c2cnc3cc(C=NOCc4ccncc4)ccn23)c1.

What is the InChIKey of 1-[3-[7-(butoxyiminomethyl)imidazo[1,2-a]pyridin-3-yl]phenyl]-5,5,5-trifluoropentan-2-one;5,5,5-trifluoro-1-[3-[7-[2-(2-methoxyethoxy)ethoxyiminomethyl]imidazo[1,2-a]pyridin-3-yl]phenyl]pentan-2-one;5,5,5-trifluoro-1-[3-[7-(3-piperidin-1-ylpropoxyiminomethyl)imidazo[1,2-a]pyridin-3-yl]phenyl]pentan-2-one;5,5,5-trifluoro-1-[3-[7-(pyridin-4-ylmethoxyiminomethyl)imidazo[1,2-a]pyridin-3-yl]phenyl]pentan-2-one?

The InChIKey is JSBLBOVTCDBKEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H31F3N4O2.C25H21F3N4O2.C24H26F3N3O4.C23H24F3N3O2/c28-27(29,30)10-8-24(35)17-21-6-4-7-23(16-21)25-20-31-26-18-22(9-14-34(25)26)19-32-36-15-5-13-33-11-2-1-3-12-33;26-25(27,28)8-4-22(33)13-19-2-1-3-21(12-19)23-16-30-24-14-20(7-11-32(23)24)15-31-34-17-18-5-9-29-10-6-18;1-32-9-10-33-11-12-34-29-16-19-6-8-30-22(17-28-23(30)15-19)20-4-2-3-18(13-20)14-21(31)5-7-24(25,26)27;1-2-3-11-31-28-15-18-8-10-29-21(16-27-22(29)14-18)19-6-4-5-17(12-19)13-20(30)7-9-23(24,25)26/h4,6-7,9,14,16,18-20H,1-3,5,8,10-13,15,17H2;1-3,5-7,9-12,14-16H,4,8,13,17H2;2-4,6,8,13,15-17H,5,7,9-12,14H2,1H3;4-6,8,10,12,14-16H,2-3,7,9,11,13H2,1H3.

What are the key properties of 1-[3-[7-(butoxyiminomethyl)imidazo[1,2-a]pyridin-3-yl]phenyl]-5,5,5-trifluoropentan-2-one;5,5,5-trifluoro-1-[3-[7-[2-(2-methoxyethoxy)ethoxyiminomethyl]imidazo[1,2-a]pyridin-3-yl]phenyl]pentan-2-one;5,5,5-trifluoro-1-[3-[7-(3-piperidin-1-ylpropoxyiminomethyl)imidazo[1,2-a]pyridin-3-yl]phenyl]pentan-2-one;5,5,5-trifluoro-1-[3-[7-(pyridin-4-ylmethoxyiminomethyl)imidazo[1,2-a]pyridin-3-yl]phenyl]pentan-2-one?

1-[3-[7-(butoxyiminomethyl)imidazo[1,2-a]pyridin-3-yl]phenyl]-5,5,5-trifluoropentan-2-one;5,5,5-trifluoro-1-[3-[7-[2-(2-methoxyethoxy)ethoxyiminomethyl]imidazo[1,2-a]pyridin-3-yl]phenyl]pentan-2-one;5,5,5-trifluoro-1-[3-[7-(3-piperidin-1-ylpropoxyiminomethyl)imidazo[1,2-a]pyridin-3-yl]phenyl]pentan-2-one;5,5,5-trifluoro-1-[3-[7-(pyridin-4-ylmethoxyiminomethyl)imidazo[1,2-a]pyridin-3-yl]phenyl]pentan-2-one has a molecular weight of 1875.97 g/mol, XLogP of 21.16, 43 rotatable bonds, 0 hydrogen bond donors, and 24 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[3-[7-(butoxyiminomethyl)imidazo[1,2-a]pyridin-3-yl]phenyl]-5,5,5-trifluoropentan-2-one;5,5,5-trifluoro-1-[3-[7-[2-(2-methoxyethoxy)ethoxyiminomethyl]imidazo[1,2-a]pyridin-3-yl]phenyl]pentan-2-one;5,5,5-trifluoro-1-[3-[7-(3-piperidin-1-ylpropoxyiminomethyl)imidazo[1,2-a]pyridin-3-yl]phenyl]pentan-2-one;5,5,5-trifluoro-1-[3-[7-(pyridin-4-ylmethoxyiminomethyl)imidazo[1,2-a]pyridin-3-yl]phenyl]pentan-2-one is sourced from PubChem (CID 159007184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).