N-benzyl-3-(2-fluorophenyl)-3-(8-phenylmethoxyimidazo[1,2-a]pyridin-3-yl)propanamide

C30H26FN3O2 — CID 46126228

IUPACN-benzyl-3-(2-fluorophenyl)-3-(8-phenylmethoxyimidazo[1,2-a]pyridin-3-yl)propanamide
SMILESO=C(CC(c1ccccc1F)c1cnc2c(OCc3ccccc3)cccn12)NCc1ccccc1
InChIInChI=1S/C30H26FN3O2/c31-26-15-8-7-14-24(26)25(18-29(35)32-19-22-10-3-1-4-11-22)27-20-33-30-28(16-9-17-34(27)30)36-21-23-12-5-2-6-13-23/h1-17,20,25H,18-19,21H2,(H,32,35)
InChIKeyJHHPRRKWVJFLIW-UHFFFAOYSA-N
MW479.56 g/mol
LogP5.89
Rot. Bonds9

About N-benzyl-3-(2-fluorophenyl)-3-(8-phenylmethoxyimidazo[1,2-a]pyridin-3-yl)propanamide

N-benzyl-3-(2-fluorophenyl)-3-(8-phenylmethoxyimidazo[1,2-a]pyridin-3-yl)propanamide (PubChem CID 46126228) has the molecular formula C30H26FN3O2 and a molecular weight of 479.56 g/mol. Its IUPAC name is N-benzyl-3-(2-fluorophenyl)-3-(8-phenylmethoxyimidazo[1,2-a]pyridin-3-yl)propanamide.

Molecular Properties

Compound NameN-benzyl-3-(2-fluorophenyl)-3-(8-phenylmethoxyimidazo[1,2-a]pyridin-3-yl)propanamide
PubChem CID46126228
Molecular FormulaC30H26FN3O2
Molecular Weight479.56 g/mol
Exact Mass479.20
IUPAC NameN-benzyl-3-(2-fluorophenyl)-3-(8-phenylmethoxyimidazo[1,2-a]pyridin-3-yl)propanamide
SMILESO=C(CC(c1ccccc1F)c1cnc2c(OCc3ccccc3)cccn12)NCc1ccccc1
InChIInChI=1S/C30H26FN3O2/c31-26-15-8-7-14-24(26)25(18-29(35)32-19-22-10-3-1-4-11-22)27-20-33-30-28(16-9-17-34(27)30)36-21-23-12-5-2-6-13-23/h1-17,20,25H,18-19,21H2,(H,32,35)
InChIKeyJHHPRRKWVJFLIW-UHFFFAOYSA-N
XLogP5.89
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500479.56
LogP ≤ 55.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(4-fluorophenyl)methyl]-3-(2-methylphenyl)-3-(8-phenylmethoxyimidazo[1,2-a]pyridin-3-yl)propanamide
CID 4156495
N-(furan-2-ylmethyl)-3-(2-methylphenyl)-3-(8-phenylmethoxyimidazo[1,2-a]pyridin-3-yl)propanamide
CID 42784079
N-butyl-3-(2-methylphenyl)-3-(8-phenylmethoxyimidazo[1,2-a]pyridin-3-yl)propanamide
CID 4647962
N-butyl-3-(3-fluorophenyl)-3-(8-phenylmethoxyimidazo[1,2-a]pyridin-3-yl)propanamide
CID 4524635
N-[2-(dimethylamino)ethyl]-3-(3-fluorophenyl)-3-(8-phenylmethoxyimidazo[1,2-a]pyridin-3-yl)propanamide
CID 5149763
3-(8-methylimidazo[1,2-a]pyridin-3-yl)-3-(2-methylphenyl)-N-(pyridin-4-ylmethyl)propanamide
CID 42783565
3-(3,5-dimethoxyphenyl)-N-(2-phenylethyl)-3-(8-phenylmethoxyimidazo[1,2-a]pyridin-3-yl)propanamide
CID 3570484
3-(6-chloroimidazo[1,2-a]pyridin-3-yl)-3-(2-fluorophenyl)-N-(pyridin-3-ylmethyl)propanamide
CID 42783702
3-(3,5-dimethoxyphenyl)-N-hexyl-3-(8-phenylmethoxyimidazo[1,2-a]pyridin-3-yl)propanamide
CID 3665519
3-(3,5-dimethoxyphenyl)-N-(4-methylphenyl)-3-(8-phenylmethoxyimidazo[1,2-a]pyridin-3-yl)propanamide
CID 5216373
N-(2-morpholin-4-ylethyl)-3-(8-phenylmethoxyimidazo[1,2-a]pyridin-3-yl)-3-[3-(trifluoromethyl)phenyl]propanamide
CID 4138583
N-[2-(3,4-dimethoxyphenyl)ethyl]-3-(2-fluorophenyl)-3-imidazo[1,2-a]pyridin-3-ylpropanamide
CID 42782043

Frequently Asked Questions

What is the IUPAC name of N-benzyl-3-(2-fluorophenyl)-3-(8-phenylmethoxyimidazo[1,2-a]pyridin-3-yl)propanamide?
The IUPAC name of N-benzyl-3-(2-fluorophenyl)-3-(8-phenylmethoxyimidazo[1,2-a]pyridin-3-yl)propanamide (CID 46126228) is N-benzyl-3-(2-fluorophenyl)-3-(8-phenylmethoxyimidazo[1,2-a]pyridin-3-yl)propanamide.
What is the SMILES notation for N-benzyl-3-(2-fluorophenyl)-3-(8-phenylmethoxyimidazo[1,2-a]pyridin-3-yl)propanamide?
The canonical SMILES for N-benzyl-3-(2-fluorophenyl)-3-(8-phenylmethoxyimidazo[1,2-a]pyridin-3-yl)propanamide is O=C(CC(c1ccccc1F)c1cnc2c(OCc3ccccc3)cccn12)NCc1ccccc1.
What is the InChIKey of N-benzyl-3-(2-fluorophenyl)-3-(8-phenylmethoxyimidazo[1,2-a]pyridin-3-yl)propanamide?
The InChIKey is JHHPRRKWVJFLIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H26FN3O2/c31-26-15-8-7-14-24(26)25(18-29(35)32-19-22-10-3-1-4-11-22)27-20-33-30-28(16-9-17-34(27)30)36-21-23-12-5-2-6-13-23/h1-17,20,25H,18-19,21H2,(H,32,35).
What are the key properties of N-benzyl-3-(2-fluorophenyl)-3-(8-phenylmethoxyimidazo[1,2-a]pyridin-3-yl)propanamide?
N-benzyl-3-(2-fluorophenyl)-3-(8-phenylmethoxyimidazo[1,2-a]pyridin-3-yl)propanamide has a molecular weight of 479.56 g/mol, XLogP of 5.89, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-3-(2-fluorophenyl)-3-(8-phenylmethoxyimidazo[1,2-a]pyridin-3-yl)propanamide is sourced from PubChem (CID 46126228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).