3-(6-chloroimidazo[1,2-a]pyridin-3-yl)-3-phenyl-N-[[3-(trifluoromethyl)phenyl]methyl]propanamide

C24H19ClF3N3O — CID 4571894

IUPAC3-(6-chloroimidazo[1,2-a]pyridin-3-yl)-3-phenyl-N-[[3-(trifluoromethyl)phenyl]methyl]propanamide
SMILESO=C(CC(c1ccccc1)c1cnc2ccc(Cl)cn12)NCc1cccc(C(F)(F)F)c1
InChIInChI=1S/C24H19ClF3N3O/c25-19-9-10-22-29-14-21(31(22)15-19)20(17-6-2-1-3-7-17)12-23(32)30-13-16-5-4-8-18(11-16)24(26,27)28/h1-11,14-15,20H,12-13H2,(H,30,32)
InChIKeyWCRQXHLYBPHWGD-UHFFFAOYSA-N
MW457.88 g/mol
LogP5.84
Rot. Bonds6

About 3-(6-chloroimidazo[1,2-a]pyridin-3-yl)-3-phenyl-N-[[3-(trifluoromethyl)phenyl]methyl]propanamide

3-(6-chloroimidazo[1,2-a]pyridin-3-yl)-3-phenyl-N-[[3-(trifluoromethyl)phenyl]methyl]propanamide (PubChem CID 4571894) has the molecular formula C24H19ClF3N3O and a molecular weight of 457.88 g/mol. Its IUPAC name is 3-(6-chloroimidazo[1,2-a]pyridin-3-yl)-3-phenyl-N-[[3-(trifluoromethyl)phenyl]methyl]propanamide.

Molecular Properties

Compound Name3-(6-chloroimidazo[1,2-a]pyridin-3-yl)-3-phenyl-N-[[3-(trifluoromethyl)phenyl]methyl]propanamide
PubChem CID4571894
Molecular FormulaC24H19ClF3N3O
Molecular Weight457.88 g/mol
Exact Mass457.12
IUPAC Name3-(6-chloroimidazo[1,2-a]pyridin-3-yl)-3-phenyl-N-[[3-(trifluoromethyl)phenyl]methyl]propanamide
SMILESO=C(CC(c1ccccc1)c1cnc2ccc(Cl)cn12)NCc1cccc(C(F)(F)F)c1
InChIInChI=1S/C24H19ClF3N3O/c25-19-9-10-22-29-14-21(31(22)15-19)20(17-6-2-1-3-7-17)12-23(32)30-13-16-5-4-8-18(11-16)24(26,27)28/h1-11,14-15,20H,12-13H2,(H,30,32)
InChIKeyWCRQXHLYBPHWGD-UHFFFAOYSA-N
XLogP5.84
TPSA46.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms32
Complexity

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500457.88
LogP ≤ 55.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(6-chloroimidazo[1,2-a]pyridin-3-yl)-3-phenyl-N-[[3-(trifluoromethyl)phenyl]methyl]propanamide?
The IUPAC name of 3-(6-chloroimidazo[1,2-a]pyridin-3-yl)-3-phenyl-N-[[3-(trifluoromethyl)phenyl]methyl]propanamide (CID 4571894) is 3-(6-chloroimidazo[1,2-a]pyridin-3-yl)-3-phenyl-N-[[3-(trifluoromethyl)phenyl]methyl]propanamide.
What is the SMILES notation for 3-(6-chloroimidazo[1,2-a]pyridin-3-yl)-3-phenyl-N-[[3-(trifluoromethyl)phenyl]methyl]propanamide?
The canonical SMILES for 3-(6-chloroimidazo[1,2-a]pyridin-3-yl)-3-phenyl-N-[[3-(trifluoromethyl)phenyl]methyl]propanamide is O=C(CC(c1ccccc1)c1cnc2ccc(Cl)cn12)NCc1cccc(C(F)(F)F)c1.
What is the InChIKey of 3-(6-chloroimidazo[1,2-a]pyridin-3-yl)-3-phenyl-N-[[3-(trifluoromethyl)phenyl]methyl]propanamide?
The InChIKey is WCRQXHLYBPHWGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19ClF3N3O/c25-19-9-10-22-29-14-21(31(22)15-19)20(17-6-2-1-3-7-17)12-23(32)30-13-16-5-4-8-18(11-16)24(26,27)28/h1-11,14-15,20H,12-13H2,(H,30,32).
What are the key properties of 3-(6-chloroimidazo[1,2-a]pyridin-3-yl)-3-phenyl-N-[[3-(trifluoromethyl)phenyl]methyl]propanamide?
3-(6-chloroimidazo[1,2-a]pyridin-3-yl)-3-phenyl-N-[[3-(trifluoromethyl)phenyl]methyl]propanamide has a molecular weight of 457.88 g/mol, XLogP of 5.84, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(6-chloroimidazo[1,2-a]pyridin-3-yl)-3-phenyl-N-[[3-(trifluoromethyl)phenyl]methyl]propanamide is sourced from PubChem (CID 4571894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).