5,5,5-trifluoro-1-[3-[7-[(Z)-2-(2-methoxyethoxy)ethoxyiminomethyl]imidazo[1,2-a]pyridin-3-yl]phenyl]pentan-2-one

C24H26F3N3O4 — CID 58081510

IUPAC5,5,5-trifluoro-1-[3-[7-[(Z)-2-(2-methoxyethoxy)ethoxyiminomethyl]imidazo[1,2-a]pyridin-3-yl]phenyl]pentan-2-one
SMILESCOCCOCCO/N=C\c1ccn2c(-c3cccc(CC(=O)CCC(F)(F)F)c3)cnc2c1
InChIInChI=1S/C24H26F3N3O4/c1-32-9-10-33-11-12-34-29-16-19-6-8-30-22(17-28-23(30)15-19)20-4-2-3-18(13-20)14-21(31)5-7-24(25,26)27/h2-4,6,8,13,15-17H,5,7,9-12,14H2,1H3/b29-16-
InChIKeyRYNFXXDQSQPFBH-MWLSYYOVSA-N
MW477.48 g/mol
LogP4.47
Rot. Bonds13

About 5,5,5-trifluoro-1-[3-[7-[(Z)-2-(2-methoxyethoxy)ethoxyiminomethyl]imidazo[1,2-a]pyridin-3-yl]phenyl]pentan-2-one

5,5,5-trifluoro-1-[3-[7-[(Z)-2-(2-methoxyethoxy)ethoxyiminomethyl]imidazo[1,2-a]pyridin-3-yl]phenyl]pentan-2-one (PubChem CID 58081510) has the molecular formula C24H26F3N3O4 and a molecular weight of 477.48 g/mol. Its IUPAC name is 5,5,5-trifluoro-1-[3-[7-[(Z)-2-(2-methoxyethoxy)ethoxyiminomethyl]imidazo[1,2-a]pyridin-3-yl]phenyl]pentan-2-one.

Molecular Properties

Compound Name5,5,5-trifluoro-1-[3-[7-[(Z)-2-(2-methoxyethoxy)ethoxyiminomethyl]imidazo[1,2-a]pyridin-3-yl]phenyl]pentan-2-one
PubChem CID58081510
Molecular FormulaC24H26F3N3O4
Molecular Weight477.48 g/mol
Exact Mass477.19
IUPAC Name5,5,5-trifluoro-1-[3-[7-[(Z)-2-(2-methoxyethoxy)ethoxyiminomethyl]imidazo[1,2-a]pyridin-3-yl]phenyl]pentan-2-one
SMILESCOCCOCCO/N=C\c1ccn2c(-c3cccc(CC(=O)CCC(F)(F)F)c3)cnc2c1
InChIInChI=1S/C24H26F3N3O4/c1-32-9-10-33-11-12-34-29-16-19-6-8-30-22(17-28-23(30)15-19)20-4-2-3-18(13-20)14-21(31)5-7-24(25,26)27/h2-4,6,8,13,15-17H,5,7,9-12,14H2,1H3/b29-16-
InChIKeyRYNFXXDQSQPFBH-MWLSYYOVSA-N
XLogP4.47
TPSA74.42 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds13
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500477.48
LogP ≤ 54.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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'}

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Related Compounds

1-[3-[7-(3-chloropropoxyiminomethyl)imidazo[1,2-a]pyridin-3-yl]phenyl]-5,5,5-trifluoropentan-2-one
CID 76661810
1-[3-[7-[2-[benzyl(2-methoxyethyl)amino]ethoxyiminomethyl]imidazo[1,2-a]pyridin-3-yl]phenyl]-5,5,5-trifluoropentan-2-one
CID 76661825
5,5,5-trifluoro-1-[3-[7-[(Z)-2-[2-hydroxyethyl(methyl)amino]ethoxyiminomethyl]imidazo[1,2-a]pyridin-3-yl]phenyl]pentan-2-one
CID 58081459
5,5,5-trifluoro-1-[3-[7-(pyridin-3-ylmethoxyiminomethyl)imidazo[1,2-a]pyridin-3-yl]phenyl]pentan-2-one
CID 76661841
5,5,5-trifluoro-1-[3-[7-[(Z)-pyridin-3-ylmethoxyiminomethyl]imidazo[1,2-a]pyridin-3-yl]phenyl]pentan-2-one
CID 58081497
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
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
1-[3-[7-[3-(4-but-3-ynylpiperazin-1-yl)propoxyiminomethyl]imidazo[1,2-a]pyridin-3-yl]phenyl]-5,5-difluorohexan-2-one
CID 162157686
1-[3-(7-acetylimidazo[1,2-a]pyridin-3-yl)phenyl]-5,5,5-trifluoropentan-2-one;3-[3-(5,5,5-trifluoro-2-oxopentyl)phenyl]imidazo[1,2-a]pyridine-7-carboxylic acid
CID 91455358
methyl 3-iodoimidazo[1,2-a]pyridine-7-carboxylate;3-[3-(5,5,5-trifluoro-2-oxopentyl)phenyl]imidazo[1,2-a]pyridine-7-carboxylic acid
CID 157275453
5,5,5-trifluoro-1-[3-[7-(5-methoxypyrimidin-4-yl)imidazo[1,2-a]pyridin-3-yl]phenyl]pentan-2-one
CID 147786851
1-[3-[7-[5-(1,1-difluoroethyl)pyrimidin-2-yl]imidazo[1,2-a]pyridin-3-yl]phenyl]-5,5,5-trifluoropentan-2-one
CID 147204904

Frequently Asked Questions

What is the IUPAC name of 5,5,5-trifluoro-1-[3-[7-[(Z)-2-(2-methoxyethoxy)ethoxyiminomethyl]imidazo[1,2-a]pyridin-3-yl]phenyl]pentan-2-one?
The IUPAC name of 5,5,5-trifluoro-1-[3-[7-[(Z)-2-(2-methoxyethoxy)ethoxyiminomethyl]imidazo[1,2-a]pyridin-3-yl]phenyl]pentan-2-one (CID 58081510) is 5,5,5-trifluoro-1-[3-[7-[(Z)-2-(2-methoxyethoxy)ethoxyiminomethyl]imidazo[1,2-a]pyridin-3-yl]phenyl]pentan-2-one.
What is the SMILES notation for 5,5,5-trifluoro-1-[3-[7-[(Z)-2-(2-methoxyethoxy)ethoxyiminomethyl]imidazo[1,2-a]pyridin-3-yl]phenyl]pentan-2-one?
The canonical SMILES for 5,5,5-trifluoro-1-[3-[7-[(Z)-2-(2-methoxyethoxy)ethoxyiminomethyl]imidazo[1,2-a]pyridin-3-yl]phenyl]pentan-2-one is COCCOCCO/N=C\c1ccn2c(-c3cccc(CC(=O)CCC(F)(F)F)c3)cnc2c1.
What is the InChIKey of 5,5,5-trifluoro-1-[3-[7-[(Z)-2-(2-methoxyethoxy)ethoxyiminomethyl]imidazo[1,2-a]pyridin-3-yl]phenyl]pentan-2-one?
The InChIKey is RYNFXXDQSQPFBH-MWLSYYOVSA-N. The full InChI is InChI=1S/C24H26F3N3O4/c1-32-9-10-33-11-12-34-29-16-19-6-8-30-22(17-28-23(30)15-19)20-4-2-3-18(13-20)14-21(31)5-7-24(25,26)27/h2-4,6,8,13,15-17H,5,7,9-12,14H2,1H3/b29-16-.
What are the key properties of 5,5,5-trifluoro-1-[3-[7-[(Z)-2-(2-methoxyethoxy)ethoxyiminomethyl]imidazo[1,2-a]pyridin-3-yl]phenyl]pentan-2-one?
5,5,5-trifluoro-1-[3-[7-[(Z)-2-(2-methoxyethoxy)ethoxyiminomethyl]imidazo[1,2-a]pyridin-3-yl]phenyl]pentan-2-one has a molecular weight of 477.48 g/mol, XLogP of 4.47, 13 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5,5-trifluoro-1-[3-[7-[(Z)-2-(2-methoxyethoxy)ethoxyiminomethyl]imidazo[1,2-a]pyridin-3-yl]phenyl]pentan-2-one is sourced from PubChem (CID 58081510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).