3-(3,5-dimethoxyphenyl)-3-(8-methylimidazo[1,2-a]pyridin-3-yl)propanoic acid

C19H20N2O4 — CID 42665394

IUPAC3-(3,5-dimethoxyphenyl)-3-(8-methylimidazo[1,2-a]pyridin-3-yl)propanoic acid
SMILESCOc1cc(OC)cc(C(CC(=O)O)c2cnc3c(C)cccn23)c1
InChIInChI=1S/C19H20N2O4/c1-12-5-4-6-21-17(11-20-19(12)21)16(10-18(22)23)13-7-14(24-2)9-15(8-13)25-3/h4-9,11,16H,10H2,1-3H3,(H,22,23)
InChIKeyXKPKBYHPUVJKOU-UHFFFAOYSA-N
MW340.38 g/mol
LogP3.27
Rot. Bonds6

About 3-(3,5-dimethoxyphenyl)-3-(8-methylimidazo[1,2-a]pyridin-3-yl)propanoic acid

3-(3,5-dimethoxyphenyl)-3-(8-methylimidazo[1,2-a]pyridin-3-yl)propanoic acid (PubChem CID 42665394) has the molecular formula C19H20N2O4 and a molecular weight of 340.38 g/mol. Its IUPAC name is 3-(3,5-dimethoxyphenyl)-3-(8-methylimidazo[1,2-a]pyridin-3-yl)propanoic acid.

Molecular Properties

Compound Name3-(3,5-dimethoxyphenyl)-3-(8-methylimidazo[1,2-a]pyridin-3-yl)propanoic acid
PubChem CID42665394
Molecular FormulaC19H20N2O4
Molecular Weight340.38 g/mol
Exact Mass340.14
IUPAC Name3-(3,5-dimethoxyphenyl)-3-(8-methylimidazo[1,2-a]pyridin-3-yl)propanoic acid
SMILESCOc1cc(OC)cc(C(CC(=O)O)c2cnc3c(C)cccn23)c1
InChIInChI=1S/C19H20N2O4/c1-12-5-4-6-21-17(11-20-19(12)21)16(10-18(22)23)13-7-14(24-2)9-15(8-13)25-3/h4-9,11,16H,10H2,1-3H3,(H,22,23)
InChIKeyXKPKBYHPUVJKOU-UHFFFAOYSA-N
XLogP3.27
TPSA73.06 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.38
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-(3,5-dimethoxyphenyl)-3-(8-methylimidazo[1,2-a]pyridin-3-yl)-N-(2-phenylethyl)propanamide
CID 3274664
(3S)-N-butyl-3-(3-methoxyphenyl)-3-(8-methylimidazo[1,2-a]pyridin-3-yl)propanamide
CID 7332062
(3S)-3-(3-methoxyphenyl)-3-(8-methylimidazo[1,2-a]pyridin-3-yl)-N-(2-phenylethyl)propanamide
CID 7115600
N-cyclohexyl-3-(3-methoxyphenyl)-3-(8-methylimidazo[1,2-a]pyridin-3-yl)propanamide
CID 4145383
1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-3-(3-methoxyphenyl)-3-(8-methylimidazo[1,2-a]pyridin-3-yl)propan-1-one
CID 42783571
3-(3,5-dimethoxyphenyl)-N-(4-methylphenyl)-3-(8-phenylmethoxyimidazo[1,2-a]pyridin-3-yl)propanamide
CID 5216373
3-(3,5-dimethoxyphenyl)-N-(2-phenylethyl)-3-(8-phenylmethoxyimidazo[1,2-a]pyridin-3-yl)propanamide
CID 3570484
3-(3,5-dimethoxyphenyl)-N-(4-fluorophenyl)-3-(8-phenylmethoxyimidazo[1,2-a]pyridin-3-yl)propanamide
CID 4052079
3-(3,5-dimethoxyphenyl)-N-hexyl-3-(8-phenylmethoxyimidazo[1,2-a]pyridin-3-yl)propanamide
CID 3665519
3-(8-methylimidazo[1,2-a]pyridin-3-yl)-3-(2-methylphenyl)-N-propan-2-ylpropanamide
CID 42783552
1-(4-ethylpiperazin-1-yl)-3-(8-methylimidazo[1,2-a]pyridin-3-yl)-3-phenylpropan-1-one
CID 4695381
(1S)-1-(8-methylimidazo[1,2-a]pyridin-3-yl)propan-1-ol
CID 39146589

Frequently Asked Questions

What is the IUPAC name of 3-(3,5-dimethoxyphenyl)-3-(8-methylimidazo[1,2-a]pyridin-3-yl)propanoic acid?
The IUPAC name of 3-(3,5-dimethoxyphenyl)-3-(8-methylimidazo[1,2-a]pyridin-3-yl)propanoic acid (CID 42665394) is 3-(3,5-dimethoxyphenyl)-3-(8-methylimidazo[1,2-a]pyridin-3-yl)propanoic acid.
What is the SMILES notation for 3-(3,5-dimethoxyphenyl)-3-(8-methylimidazo[1,2-a]pyridin-3-yl)propanoic acid?
The canonical SMILES for 3-(3,5-dimethoxyphenyl)-3-(8-methylimidazo[1,2-a]pyridin-3-yl)propanoic acid is COc1cc(OC)cc(C(CC(=O)O)c2cnc3c(C)cccn23)c1.
What is the InChIKey of 3-(3,5-dimethoxyphenyl)-3-(8-methylimidazo[1,2-a]pyridin-3-yl)propanoic acid?
The InChIKey is XKPKBYHPUVJKOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O4/c1-12-5-4-6-21-17(11-20-19(12)21)16(10-18(22)23)13-7-14(24-2)9-15(8-13)25-3/h4-9,11,16H,10H2,1-3H3,(H,22,23).
What are the key properties of 3-(3,5-dimethoxyphenyl)-3-(8-methylimidazo[1,2-a]pyridin-3-yl)propanoic acid?
3-(3,5-dimethoxyphenyl)-3-(8-methylimidazo[1,2-a]pyridin-3-yl)propanoic acid has a molecular weight of 340.38 g/mol, XLogP of 3.27, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,5-dimethoxyphenyl)-3-(8-methylimidazo[1,2-a]pyridin-3-yl)propanoic acid is sourced from PubChem (CID 42665394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).