3-[2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]-N-[(4-fluorophenyl)methyl]propanamide

C23H19ClFN3O — CID 53036623

IUPAC3-[2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]-N-[(4-fluorophenyl)methyl]propanamide
SMILESO=C(CCc1c(-c2ccc(Cl)cc2)nc2ccccn12)NCc1ccc(F)cc1
InChIInChI=1S/C23H19ClFN3O/c24-18-8-6-17(7-9-18)23-20(28-14-2-1-3-21(28)27-23)12-13-22(29)26-15-16-4-10-19(25)11-5-16/h1-11,14H,12-13,15H2,(H,26,29)
InChIKeyYCRBKAHSOLUXHS-UHFFFAOYSA-N
MW407.88 g/mol
LogP5.04
Rot. Bonds6

About 3-[2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]-N-[(4-fluorophenyl)methyl]propanamide

3-[2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]-N-[(4-fluorophenyl)methyl]propanamide (PubChem CID 53036623) has the molecular formula C23H19ClFN3O and a molecular weight of 407.88 g/mol. Its IUPAC name is 3-[2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]-N-[(4-fluorophenyl)methyl]propanamide.

Molecular Properties

Compound Name3-[2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]-N-[(4-fluorophenyl)methyl]propanamide
PubChem CID53036623
Molecular FormulaC23H19ClFN3O
Molecular Weight407.88 g/mol
Exact Mass407.12
IUPAC Name3-[2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]-N-[(4-fluorophenyl)methyl]propanamide
SMILESO=C(CCc1c(-c2ccc(Cl)cc2)nc2ccccn12)NCc1ccc(F)cc1
InChIInChI=1S/C23H19ClFN3O/c24-18-8-6-17(7-9-18)23-20(28-14-2-1-3-21(28)27-23)12-13-22(29)26-15-16-4-10-19(25)11-5-16/h1-11,14H,12-13,15H2,(H,26,29)
InChIKeyYCRBKAHSOLUXHS-UHFFFAOYSA-N
XLogP5.04
TPSA46.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500407.88
LogP ≤ 55.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]-N-[(3-fluorophenyl)methyl]propanamide
CID 53036640
N-[[4-(dimethylamino)phenyl]methyl]-3-[2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]propanamide
CID 53118570
N-[(3,4-dimethoxyphenyl)methyl]-3-[2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]propanamide
CID 53118564
3-[2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]-N-(pyridin-3-ylmethyl)propanamide
CID 53118584
3-[2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]-N-[(3-methoxyphenyl)methyl]propanamide
CID 53118599
3-[2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]-N-(2-fluorophenyl)propanamide
CID 20974346
N-[2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]-2-(4-fluorophenyl)acetamide
CID 42693738
3-[2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]-N-(3-methoxypropyl)propanamide
CID 53118553
N-(4-ethylphenyl)-3-[2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]propanamide
CID 53036519
3-[2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]-N-[2-(trifluoromethyl)phenyl]propanamide
CID 53036596
N-[(5-bromo-2-methoxyphenyl)methyl]-3-[2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]propanamide
CID 53118569
3-[2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]-N-(2-methylphenyl)propanamide
CID 53036610

Frequently Asked Questions

What is the IUPAC name of 3-[2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]-N-[(4-fluorophenyl)methyl]propanamide?
The IUPAC name of 3-[2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]-N-[(4-fluorophenyl)methyl]propanamide (CID 53036623) is 3-[2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]-N-[(4-fluorophenyl)methyl]propanamide.
What is the SMILES notation for 3-[2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]-N-[(4-fluorophenyl)methyl]propanamide?
The canonical SMILES for 3-[2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]-N-[(4-fluorophenyl)methyl]propanamide is O=C(CCc1c(-c2ccc(Cl)cc2)nc2ccccn12)NCc1ccc(F)cc1.
What is the InChIKey of 3-[2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]-N-[(4-fluorophenyl)methyl]propanamide?
The InChIKey is YCRBKAHSOLUXHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19ClFN3O/c24-18-8-6-17(7-9-18)23-20(28-14-2-1-3-21(28)27-23)12-13-22(29)26-15-16-4-10-19(25)11-5-16/h1-11,14H,12-13,15H2,(H,26,29).
What are the key properties of 3-[2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]-N-[(4-fluorophenyl)methyl]propanamide?
3-[2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]-N-[(4-fluorophenyl)methyl]propanamide has a molecular weight of 407.88 g/mol, XLogP of 5.04, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]-N-[(4-fluorophenyl)methyl]propanamide is sourced from PubChem (CID 53036623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).