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

C25H29F3N4O3 — CID 58081498

IUPAC5,5,5-trifluoro-1-[3-[7-[(Z)-2-[2-methoxyethyl(methyl)amino]ethoxyiminomethyl]imidazo[1,2-a]pyridin-3-yl]phenyl]pentan-2-one
SMILESCOCCN(C)CCO/N=C\c1ccn2c(-c3cccc(CC(=O)CCC(F)(F)F)c3)cnc2c1
InChIInChI=1S/C25H29F3N4O3/c1-31(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/h3-5,7,9,14,16-18H,6,8,10-13,15H2,1-2H3/b30-17-
InChIKeyZJUZFHDCHNWJMU-LQNQUEJISA-N
MW490.53 g/mol
LogP4.38
Rot. Bonds13

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

5,5,5-trifluoro-1-[3-[7-[(Z)-2-[2-methoxyethyl(methyl)amino]ethoxyiminomethyl]imidazo[1,2-a]pyridin-3-yl]phenyl]pentan-2-one (PubChem CID 58081498) has the molecular formula C25H29F3N4O3 and a molecular weight of 490.53 g/mol. Its IUPAC name is 5,5,5-trifluoro-1-[3-[7-[(Z)-2-[2-methoxyethyl(methyl)amino]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-methoxyethyl(methyl)amino]ethoxyiminomethyl]imidazo[1,2-a]pyridin-3-yl]phenyl]pentan-2-one
PubChem CID58081498
Molecular FormulaC25H29F3N4O3
Molecular Weight490.53 g/mol
Exact Mass490.22
IUPAC Name5,5,5-trifluoro-1-[3-[7-[(Z)-2-[2-methoxyethyl(methyl)amino]ethoxyiminomethyl]imidazo[1,2-a]pyridin-3-yl]phenyl]pentan-2-one
SMILESCOCCN(C)CCO/N=C\c1ccn2c(-c3cccc(CC(=O)CCC(F)(F)F)c3)cnc2c1
InChIInChI=1S/C25H29F3N4O3/c1-31(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/h3-5,7,9,14,16-18H,6,8,10-13,15H2,1-2H3/b30-17-
InChIKeyZJUZFHDCHNWJMU-LQNQUEJISA-N
XLogP4.38
TPSA68.43 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds13
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500490.53
LogP ≤ 54.38
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'}

Analyze 5,5,5-trifluoro-1-[3-[7-[(Z)-2-[2-methoxyethyl(methyl)amino]ethoxyiminomethyl]imidazo[1,2-a]pyridin-3-yl]phenyl]pentan-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5,5,5-trifluoro-1-[3-[7-[(Z)-2-[2-methoxyethyl(methyl)amino]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-methoxyethyl(methyl)amino]ethoxyiminomethyl]imidazo[1,2-a]pyridin-3-yl]phenyl]pentan-2-one (CID 58081498) is 5,5,5-trifluoro-1-[3-[7-[(Z)-2-[2-methoxyethyl(methyl)amino]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-methoxyethyl(methyl)amino]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-methoxyethyl(methyl)amino]ethoxyiminomethyl]imidazo[1,2-a]pyridin-3-yl]phenyl]pentan-2-one is COCCN(C)CCO/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-methoxyethyl(methyl)amino]ethoxyiminomethyl]imidazo[1,2-a]pyridin-3-yl]phenyl]pentan-2-one?
The InChIKey is ZJUZFHDCHNWJMU-LQNQUEJISA-N. The full InChI is InChI=1S/C25H29F3N4O3/c1-31(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/h3-5,7,9,14,16-18H,6,8,10-13,15H2,1-2H3/b30-17-.
What are the key properties of 5,5,5-trifluoro-1-[3-[7-[(Z)-2-[2-methoxyethyl(methyl)amino]ethoxyiminomethyl]imidazo[1,2-a]pyridin-3-yl]phenyl]pentan-2-one?
5,5,5-trifluoro-1-[3-[7-[(Z)-2-[2-methoxyethyl(methyl)amino]ethoxyiminomethyl]imidazo[1,2-a]pyridin-3-yl]phenyl]pentan-2-one has a molecular weight of 490.53 g/mol, XLogP of 4.38, 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-methoxyethyl(methyl)amino]ethoxyiminomethyl]imidazo[1,2-a]pyridin-3-yl]phenyl]pentan-2-one is sourced from PubChem (CID 58081498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).