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

C26H26FN3O3 — CID 42782043

IUPACN-[2-(3,4-dimethoxyphenyl)ethyl]-3-(2-fluorophenyl)-3-imidazo[1,2-a]pyridin-3-ylpropanamide
SMILESCOc1ccc(CCNC(=O)CC(c2ccccc2F)c2cnc3ccccn23)cc1OC
InChIInChI=1S/C26H26FN3O3/c1-32-23-11-10-18(15-24(23)33-2)12-13-28-26(31)16-20(19-7-3-4-8-21(19)27)22-17-29-25-9-5-6-14-30(22)25/h3-11,14-15,17,20H,12-13,16H2,1-2H3,(H,28,31)
InChIKeyPNIJOSUZWAYRQD-UHFFFAOYSA-N
MW447.51 g/mol
LogP4.37
Rot. Bonds9

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

N-[2-(3,4-dimethoxyphenyl)ethyl]-3-(2-fluorophenyl)-3-imidazo[1,2-a]pyridin-3-ylpropanamide (PubChem CID 42782043) has the molecular formula C26H26FN3O3 and a molecular weight of 447.51 g/mol. Its IUPAC name is N-[2-(3,4-dimethoxyphenyl)ethyl]-3-(2-fluorophenyl)-3-imidazo[1,2-a]pyridin-3-ylpropanamide.

Molecular Properties

Compound NameN-[2-(3,4-dimethoxyphenyl)ethyl]-3-(2-fluorophenyl)-3-imidazo[1,2-a]pyridin-3-ylpropanamide
PubChem CID42782043
Molecular FormulaC26H26FN3O3
Molecular Weight447.51 g/mol
Exact Mass447.20
IUPAC NameN-[2-(3,4-dimethoxyphenyl)ethyl]-3-(2-fluorophenyl)-3-imidazo[1,2-a]pyridin-3-ylpropanamide
SMILESCOc1ccc(CCNC(=O)CC(c2ccccc2F)c2cnc3ccccn23)cc1OC
InChIInChI=1S/C26H26FN3O3/c1-32-23-11-10-18(15-24(23)33-2)12-13-28-26(31)16-20(19-7-3-4-8-21(19)27)22-17-29-25-9-5-6-14-30(22)25/h3-11,14-15,17,20H,12-13,16H2,1-2H3,(H,28,31)
InChIKeyPNIJOSUZWAYRQD-UHFFFAOYSA-N
XLogP4.37
TPSA64.86 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.51
LogP ≤ 54.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-imidazo[1,2-a]pyridin-3-yl-3-(2-methoxyphenyl)-N-(2-phenylethyl)propanamide
CID 42782038
N-[2-(3,4-dimethoxyphenyl)ethyl]-3-[4-(dimethylamino)phenyl]-3-(8-methylimidazo[1,2-a]pyridin-3-yl)propanamide
CID 5072076
N-[2-(3,4-dimethoxyphenyl)ethyl]-3-(5-methylimidazo[1,2-a]pyridin-3-yl)-3-[3-(trifluoromethyl)phenyl]propanamide
CID 4075487
3-amino-N-[2-(3,4-dimethoxyphenyl)ethyl]butanamide
CID 60835659
(3R)-N-(2-fluorophenyl)-3-(2-methoxyphenyl)-3-(7-methylimidazo[1,2-a]pyridin-3-yl)propanamide
CID 7332181
N-[2-(3,4-dimethoxyphenyl)ethyl]-N-methyl-3-(7-methylimidazo[1,2-a]pyridin-3-yl)-3-(2-methylphenyl)propanamide
CID 5154471
N-[2-(3,4-dimethoxyphenyl)ethyl]-2-(2-methoxyphenoxy)acetamide
CID 748754
N-(3,3-diphenylpropyl)-3-imidazo[1,2-a]pyridin-3-yl-3-phenylpropanamide
CID 5074475
2-[[(3S)-3-(6-chloroimidazo[1,2-a]pyridin-3-yl)-3-(2-methoxyphenyl)propanoyl]amino]ethyl-dimethylazanium
CID 7332222
N-[2-(3,4-dimethoxyphenyl)ethyl]-2-hydroxy-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
CID 135458493
N-benzyl-3-(2-fluorophenyl)-3-(8-phenylmethoxyimidazo[1,2-a]pyridin-3-yl)propanamide
CID 46126228
N-[2-(2,4-dichlorophenyl)ethyl]-3-(3-fluorophenyl)-3-imidazo[1,2-a]pyridin-3-ylpropanamide
CID 4068487

Frequently Asked Questions

What is the IUPAC name of N-[2-(3,4-dimethoxyphenyl)ethyl]-3-(2-fluorophenyl)-3-imidazo[1,2-a]pyridin-3-ylpropanamide?
The IUPAC name of N-[2-(3,4-dimethoxyphenyl)ethyl]-3-(2-fluorophenyl)-3-imidazo[1,2-a]pyridin-3-ylpropanamide (CID 42782043) is N-[2-(3,4-dimethoxyphenyl)ethyl]-3-(2-fluorophenyl)-3-imidazo[1,2-a]pyridin-3-ylpropanamide.
What is the SMILES notation for N-[2-(3,4-dimethoxyphenyl)ethyl]-3-(2-fluorophenyl)-3-imidazo[1,2-a]pyridin-3-ylpropanamide?
The canonical SMILES for N-[2-(3,4-dimethoxyphenyl)ethyl]-3-(2-fluorophenyl)-3-imidazo[1,2-a]pyridin-3-ylpropanamide is COc1ccc(CCNC(=O)CC(c2ccccc2F)c2cnc3ccccn23)cc1OC.
What is the InChIKey of N-[2-(3,4-dimethoxyphenyl)ethyl]-3-(2-fluorophenyl)-3-imidazo[1,2-a]pyridin-3-ylpropanamide?
The InChIKey is PNIJOSUZWAYRQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26FN3O3/c1-32-23-11-10-18(15-24(23)33-2)12-13-28-26(31)16-20(19-7-3-4-8-21(19)27)22-17-29-25-9-5-6-14-30(22)25/h3-11,14-15,17,20H,12-13,16H2,1-2H3,(H,28,31).
What are the key properties of N-[2-(3,4-dimethoxyphenyl)ethyl]-3-(2-fluorophenyl)-3-imidazo[1,2-a]pyridin-3-ylpropanamide?
N-[2-(3,4-dimethoxyphenyl)ethyl]-3-(2-fluorophenyl)-3-imidazo[1,2-a]pyridin-3-ylpropanamide has a molecular weight of 447.51 g/mol, XLogP of 4.37, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3,4-dimethoxyphenyl)ethyl]-3-(2-fluorophenyl)-3-imidazo[1,2-a]pyridin-3-ylpropanamide is sourced from PubChem (CID 42782043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).