3-(3-methoxy-4-propoxyphenyl)-3-[(2-phenylimidazo[1,2-a]pyridine-7-carbonyl)amino]propanoic acid

C27H27N3O5 — CID 108788489

IUPAC3-(3-methoxy-4-propoxyphenyl)-3-[(2-phenylimidazo[1,2-a]pyridine-7-carbonyl)amino]propanoic acid
SMILESCCCOc1ccc(C(CC(=O)O)NC(=O)c2ccn3cc(-c4ccccc4)nc3c2)cc1OC
InChIInChI=1S/C27H27N3O5/c1-3-13-35-23-10-9-19(14-24(23)34-2)21(16-26(31)32)29-27(33)20-11-12-30-17-22(28-25(30)15-20)18-7-5-4-6-8-18/h4-12,14-15,17,21H,3,13,16H2,1-2H3,(H,29,33)(H,31,32)
InChIKeyPQWZJCPXVSDVQM-UHFFFAOYSA-N
MW473.53 g/mol
LogP4.74
Rot. Bonds10

About 3-(3-methoxy-4-propoxyphenyl)-3-[(2-phenylimidazo[1,2-a]pyridine-7-carbonyl)amino]propanoic acid

3-(3-methoxy-4-propoxyphenyl)-3-[(2-phenylimidazo[1,2-a]pyridine-7-carbonyl)amino]propanoic acid (PubChem CID 108788489) has the molecular formula C27H27N3O5 and a molecular weight of 473.53 g/mol. Its IUPAC name is 3-(3-methoxy-4-propoxyphenyl)-3-[(2-phenylimidazo[1,2-a]pyridine-7-carbonyl)amino]propanoic acid.

Molecular Properties

Compound Name3-(3-methoxy-4-propoxyphenyl)-3-[(2-phenylimidazo[1,2-a]pyridine-7-carbonyl)amino]propanoic acid
PubChem CID108788489
Molecular FormulaC27H27N3O5
Molecular Weight473.53 g/mol
Exact Mass473.20
IUPAC Name3-(3-methoxy-4-propoxyphenyl)-3-[(2-phenylimidazo[1,2-a]pyridine-7-carbonyl)amino]propanoic acid
SMILESCCCOc1ccc(C(CC(=O)O)NC(=O)c2ccn3cc(-c4ccccc4)nc3c2)cc1OC
InChIInChI=1S/C27H27N3O5/c1-3-13-35-23-10-9-19(14-24(23)34-2)21(16-26(31)32)29-27(33)20-11-12-30-17-22(28-25(30)15-20)18-7-5-4-6-8-18/h4-12,14-15,17,21H,3,13,16H2,1-2H3,(H,29,33)(H,31,32)
InChIKeyPQWZJCPXVSDVQM-UHFFFAOYSA-N
XLogP4.74
TPSA102.16 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500473.53
LogP ≤ 54.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 3-(3-methoxy-4-propoxyphenyl)-3-[(2-phenylimidazo[1,2-a]pyridine-7-carbonyl)amino]propanoic acid with MolForge

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Related Compounds

3-(3-methoxy-4-propoxyphenyl)-3-[[4-(trifluoromethyl)benzoyl]amino]propanoic acid
CID 108797098
3-[(3,4-dimethoxybenzoyl)amino]-3-(4-propoxyphenyl)propanoic acid
CID 4190293
4-methylsulfanyl-2-[(2-phenylimidazo[1,2-a]pyridine-7-carbonyl)amino]butanoic acid
CID 108788453
3-(cyclopropanecarbonylamino)-3-(3-methoxy-4-propoxyphenyl)propanoic acid
CID 108796795
N-(2-methylpropyl)-2-phenylimidazo[1,2-a]pyridine-7-carboxamide
CID 108788420
3-(3,4-dimethoxyphenyl)-3-[(6-methoxypyridine-3-carbonyl)amino]propanoic acid
CID 119107474
(3S)-3-[(3,4-dichlorobenzoyl)amino]-3-(3,4-dimethoxyphenyl)propanoic acid
CID 1267320
(2R)-2-[[2-(4-carbamothioylphenyl)imidazo[1,2-a]pyridine-7-carbonyl]amino]butanedioic acid
CID 54392879
(3S)-3-(4-ethoxy-3-methoxyphenyl)-3-[(2-phenylacetyl)amino]propanoic acid
CID 1271468
(3R)-3-(3,4-dimethoxyphenyl)-3-[(1-methylpyrrole-2-carbonyl)amino]propanoic acid
CID 97209274
N-[(1R)-1-(3,4-dimethoxyphenyl)propyl]benzamide
CID 7311220
butyl 2-[(2-phenylimidazo[1,2-a]pyridine-7-carbonyl)amino]benzoate
CID 108788473

Frequently Asked Questions

What is the IUPAC name of 3-(3-methoxy-4-propoxyphenyl)-3-[(2-phenylimidazo[1,2-a]pyridine-7-carbonyl)amino]propanoic acid?
The IUPAC name of 3-(3-methoxy-4-propoxyphenyl)-3-[(2-phenylimidazo[1,2-a]pyridine-7-carbonyl)amino]propanoic acid (CID 108788489) is 3-(3-methoxy-4-propoxyphenyl)-3-[(2-phenylimidazo[1,2-a]pyridine-7-carbonyl)amino]propanoic acid.
What is the SMILES notation for 3-(3-methoxy-4-propoxyphenyl)-3-[(2-phenylimidazo[1,2-a]pyridine-7-carbonyl)amino]propanoic acid?
The canonical SMILES for 3-(3-methoxy-4-propoxyphenyl)-3-[(2-phenylimidazo[1,2-a]pyridine-7-carbonyl)amino]propanoic acid is CCCOc1ccc(C(CC(=O)O)NC(=O)c2ccn3cc(-c4ccccc4)nc3c2)cc1OC.
What is the InChIKey of 3-(3-methoxy-4-propoxyphenyl)-3-[(2-phenylimidazo[1,2-a]pyridine-7-carbonyl)amino]propanoic acid?
The InChIKey is PQWZJCPXVSDVQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H27N3O5/c1-3-13-35-23-10-9-19(14-24(23)34-2)21(16-26(31)32)29-27(33)20-11-12-30-17-22(28-25(30)15-20)18-7-5-4-6-8-18/h4-12,14-15,17,21H,3,13,16H2,1-2H3,(H,29,33)(H,31,32).
What are the key properties of 3-(3-methoxy-4-propoxyphenyl)-3-[(2-phenylimidazo[1,2-a]pyridine-7-carbonyl)amino]propanoic acid?
3-(3-methoxy-4-propoxyphenyl)-3-[(2-phenylimidazo[1,2-a]pyridine-7-carbonyl)amino]propanoic acid has a molecular weight of 473.53 g/mol, XLogP of 4.74, 10 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-methoxy-4-propoxyphenyl)-3-[(2-phenylimidazo[1,2-a]pyridine-7-carbonyl)amino]propanoic acid is sourced from PubChem (CID 108788489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).