N-[2-(2,4-dichlorophenyl)ethyl]-3-(3-fluorophenyl)-3-imidazo[1,2-a]pyridin-3-ylpropanamide

C24H20Cl2FN3O — CID 4068487

IUPACN-[2-(2,4-dichlorophenyl)ethyl]-3-(3-fluorophenyl)-3-imidazo[1,2-a]pyridin-3-ylpropanamide
SMILESO=C(CC(c1cccc(F)c1)c1cnc2ccccn12)NCCc1ccc(Cl)cc1Cl
InChIInChI=1S/C24H20Cl2FN3O/c25-18-8-7-16(21(26)13-18)9-10-28-24(31)14-20(17-4-3-5-19(27)12-17)22-15-29-23-6-1-2-11-30(22)23/h1-8,11-13,15,20H,9-10,14H2,(H,28,31)
InChIKeyUIYKSCLZBGULAX-UHFFFAOYSA-N
MW456.35 g/mol
LogP5.66
Rot. Bonds7

About N-[2-(2,4-dichlorophenyl)ethyl]-3-(3-fluorophenyl)-3-imidazo[1,2-a]pyridin-3-ylpropanamide

N-[2-(2,4-dichlorophenyl)ethyl]-3-(3-fluorophenyl)-3-imidazo[1,2-a]pyridin-3-ylpropanamide (PubChem CID 4068487) has the molecular formula C24H20Cl2FN3O and a molecular weight of 456.35 g/mol. Its IUPAC name is N-[2-(2,4-dichlorophenyl)ethyl]-3-(3-fluorophenyl)-3-imidazo[1,2-a]pyridin-3-ylpropanamide.

Molecular Properties

Compound NameN-[2-(2,4-dichlorophenyl)ethyl]-3-(3-fluorophenyl)-3-imidazo[1,2-a]pyridin-3-ylpropanamide
PubChem CID4068487
Molecular FormulaC24H20Cl2FN3O
Molecular Weight456.35 g/mol
Exact Mass455.10
IUPAC NameN-[2-(2,4-dichlorophenyl)ethyl]-3-(3-fluorophenyl)-3-imidazo[1,2-a]pyridin-3-ylpropanamide
SMILESO=C(CC(c1cccc(F)c1)c1cnc2ccccn12)NCCc1ccc(Cl)cc1Cl
InChIInChI=1S/C24H20Cl2FN3O/c25-18-8-7-16(21(26)13-18)9-10-28-24(31)14-20(17-4-3-5-19(27)12-17)22-15-29-23-6-1-2-11-30(22)23/h1-8,11-13,15,20H,9-10,14H2,(H,28,31)
InChIKeyUIYKSCLZBGULAX-UHFFFAOYSA-N
XLogP5.66
TPSA46.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500456.35
LogP ≤ 55.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(2,4-dichlorophenyl)ethyl]-3-(7-methylimidazo[1,2-a]pyridin-3-yl)-3-[3-(trifluoromethyl)phenyl]propanamide
CID 4160925
N-(3,3-diphenylpropyl)-3-imidazo[1,2-a]pyridin-3-yl-3-phenylpropanamide
CID 5074475
3-(3-fluorophenyl)-N-(2-methoxyethyl)-3-(7-methylimidazo[1,2-a]pyridin-3-yl)propanamide
CID 42784164
2-[[(3S)-3-imidazo[1,2-a]pyridin-3-yl-3-phenylpropanoyl]amino]ethyl-dimethylazanium
CID 7301673
N-benzyl-3-imidazo[1,2-a]pyridin-3-yl-3-[3-(trifluoromethyl)phenyl]propanamide
CID 4197390
ethyl 4-[3-(3-fluorophenyl)-3-imidazo[1,2-a]pyridin-3-ylpropanoyl]piperazine-1-carboxylate
CID 42782100
N-benzhydryl-3-(3-fluorophenyl)-3-(5-methylimidazo[1,2-a]pyridin-3-yl)propanamide
CID 4302468
N-[2-(3,4-dimethoxyphenyl)ethyl]-3-(2-fluorophenyl)-3-imidazo[1,2-a]pyridin-3-ylpropanamide
CID 42782043
N-butyl-3-(3-fluorophenyl)-3-(8-phenylmethoxyimidazo[1,2-a]pyridin-3-yl)propanamide
CID 4524635
3-(6-chloroimidazo[1,2-a]pyridin-3-yl)-N-[(4-fluorophenyl)methyl]-3-phenylpropanamide
CID 4611202
N-[2-(dimethylamino)ethyl]-3-(3-fluorophenyl)-3-(8-phenylmethoxyimidazo[1,2-a]pyridin-3-yl)propanamide
CID 5149763
3-imidazo[1,2-a]pyridin-3-yl-3-phenyl-N-(pyridin-4-ylmethyl)propanamide
CID 42782840

Frequently Asked Questions

What is the IUPAC name of N-[2-(2,4-dichlorophenyl)ethyl]-3-(3-fluorophenyl)-3-imidazo[1,2-a]pyridin-3-ylpropanamide?
The IUPAC name of N-[2-(2,4-dichlorophenyl)ethyl]-3-(3-fluorophenyl)-3-imidazo[1,2-a]pyridin-3-ylpropanamide (CID 4068487) is N-[2-(2,4-dichlorophenyl)ethyl]-3-(3-fluorophenyl)-3-imidazo[1,2-a]pyridin-3-ylpropanamide.
What is the SMILES notation for N-[2-(2,4-dichlorophenyl)ethyl]-3-(3-fluorophenyl)-3-imidazo[1,2-a]pyridin-3-ylpropanamide?
The canonical SMILES for N-[2-(2,4-dichlorophenyl)ethyl]-3-(3-fluorophenyl)-3-imidazo[1,2-a]pyridin-3-ylpropanamide is O=C(CC(c1cccc(F)c1)c1cnc2ccccn12)NCCc1ccc(Cl)cc1Cl.
What is the InChIKey of N-[2-(2,4-dichlorophenyl)ethyl]-3-(3-fluorophenyl)-3-imidazo[1,2-a]pyridin-3-ylpropanamide?
The InChIKey is UIYKSCLZBGULAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20Cl2FN3O/c25-18-8-7-16(21(26)13-18)9-10-28-24(31)14-20(17-4-3-5-19(27)12-17)22-15-29-23-6-1-2-11-30(22)23/h1-8,11-13,15,20H,9-10,14H2,(H,28,31).
What are the key properties of N-[2-(2,4-dichlorophenyl)ethyl]-3-(3-fluorophenyl)-3-imidazo[1,2-a]pyridin-3-ylpropanamide?
N-[2-(2,4-dichlorophenyl)ethyl]-3-(3-fluorophenyl)-3-imidazo[1,2-a]pyridin-3-ylpropanamide has a molecular weight of 456.35 g/mol, XLogP of 5.66, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2,4-dichlorophenyl)ethyl]-3-(3-fluorophenyl)-3-imidazo[1,2-a]pyridin-3-ylpropanamide is sourced from PubChem (CID 4068487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).