N-[[2-(4-fluorophenyl)-6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]methyl]-3-phenoxypropanamide

C24H19F4N3O2 — CID 136575533

IUPACN-[[2-(4-fluorophenyl)-6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]methyl]-3-phenoxypropanamide
SMILESO=C(CCOc1ccccc1)NCc1c(-c2ccc(F)cc2)nc2ccc(C(F)(F)F)cn12
InChIInChI=1S/C24H19F4N3O2/c25-18-9-6-16(7-10-18)23-20(31-15-17(24(26,27)28)8-11-21(31)30-23)14-29-22(32)12-13-33-19-4-2-1-3-5-19/h1-11,15H,12-14H2,(H,29,32)
InChIKeyCOUACHLQNHFGRN-UHFFFAOYSA-N
MW457.43 g/mol
LogP5.24
Rot. Bonds7

About N-[[2-(4-fluorophenyl)-6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]methyl]-3-phenoxypropanamide

N-[[2-(4-fluorophenyl)-6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]methyl]-3-phenoxypropanamide (PubChem CID 136575533) has the molecular formula C24H19F4N3O2 and a molecular weight of 457.43 g/mol. Its IUPAC name is N-[[2-(4-fluorophenyl)-6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]methyl]-3-phenoxypropanamide.

Molecular Properties

Compound NameN-[[2-(4-fluorophenyl)-6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]methyl]-3-phenoxypropanamide
PubChem CID136575533
Molecular FormulaC24H19F4N3O2
Molecular Weight457.43 g/mol
Exact Mass457.14
IUPAC NameN-[[2-(4-fluorophenyl)-6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]methyl]-3-phenoxypropanamide
SMILESO=C(CCOc1ccccc1)NCc1c(-c2ccc(F)cc2)nc2ccc(C(F)(F)F)cn12
InChIInChI=1S/C24H19F4N3O2/c25-18-9-6-16(7-10-18)23-20(31-15-17(24(26,27)28)8-11-21(31)30-23)14-29-22(32)12-13-33-19-4-2-1-3-5-19/h1-11,15H,12-14H2,(H,29,32)
InChIKeyCOUACHLQNHFGRN-UHFFFAOYSA-N
XLogP5.24
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500457.43
LogP ≤ 55.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[6-fluoro-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]methyl]-3-(3-fluorophenoxy)propanamide
CID 136575534
1-[2-(4-fluorophenyl)-6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]-N-methylmethanamine;2,2,2-trifluoroacetic acid
CID 167889452
1-ethyl-N-[[2-(4-fluorophenyl)-6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]methyl]cyclopropane-1-carboxamide
CID 167759148
2-chloro-N-[[2-(4-fluorophenyl)-6-methylimidazo[1,2-a]pyridin-3-yl]methyl]acetamide
CID 146109431
N-benzyl-3-(2,6-diphenylimidazo[1,2-a]pyridin-3-yl)propanamide
CID 91634258
2-(4-fluorophenyl)-6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-amine
CID 82356180
2-[2-phenyl-6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]acetonitrile
CID 82060793
2-(4-fluorophenyl)-3-nitroso-6-(trifluoromethyl)imidazo[1,2-a]pyridine
CID 95967166
3-[2-phenyl-6-[3-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridin-3-yl]-N-(2-pyridin-2-ylethyl)propanamide
CID 83289167
N-[2-(4-fluorophenyl)ethyl]-3-phenoxypropanamide
CID 110755527
N-[[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-4-phenoxybutanamide
CID 110293525
N-[(2-fluorophenyl)methyl]-3-phenoxypropanamide
CID 110755454

Frequently Asked Questions

What is the IUPAC name of N-[[2-(4-fluorophenyl)-6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]methyl]-3-phenoxypropanamide?
The IUPAC name of N-[[2-(4-fluorophenyl)-6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]methyl]-3-phenoxypropanamide (CID 136575533) is N-[[2-(4-fluorophenyl)-6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]methyl]-3-phenoxypropanamide.
What is the SMILES notation for N-[[2-(4-fluorophenyl)-6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]methyl]-3-phenoxypropanamide?
The canonical SMILES for N-[[2-(4-fluorophenyl)-6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]methyl]-3-phenoxypropanamide is O=C(CCOc1ccccc1)NCc1c(-c2ccc(F)cc2)nc2ccc(C(F)(F)F)cn12.
What is the InChIKey of N-[[2-(4-fluorophenyl)-6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]methyl]-3-phenoxypropanamide?
The InChIKey is COUACHLQNHFGRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19F4N3O2/c25-18-9-6-16(7-10-18)23-20(31-15-17(24(26,27)28)8-11-21(31)30-23)14-29-22(32)12-13-33-19-4-2-1-3-5-19/h1-11,15H,12-14H2,(H,29,32).
What are the key properties of N-[[2-(4-fluorophenyl)-6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]methyl]-3-phenoxypropanamide?
N-[[2-(4-fluorophenyl)-6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]methyl]-3-phenoxypropanamide has a molecular weight of 457.43 g/mol, XLogP of 5.24, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(4-fluorophenyl)-6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]methyl]-3-phenoxypropanamide is sourced from PubChem (CID 136575533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).