5-[3-hydroxy-6-(4-methoxyphenyl)imidazo[1,2-a]pyrazin-2-yl]pentanoic acid

C18H19N3O4 — CID 139620580

IUPAC5-[3-hydroxy-6-(4-methoxyphenyl)imidazo[1,2-a]pyrazin-2-yl]pentanoic acid
SMILESCOc1ccc(-c2cn3c(O)c(CCCCC(=O)O)nc3cn2)cc1
InChIInChI=1S/C18H19N3O4/c1-25-13-8-6-12(7-9-13)15-11-21-16(10-19-15)20-14(18(21)24)4-2-3-5-17(22)23/h6-11,24H,2-5H2,1H3,(H,22,23)
InChIKeyIUNNPHQUHADFGD-UHFFFAOYSA-N
MW341.37 g/mol
LogP2.91
Rot. Bonds7

About 5-[3-hydroxy-6-(4-methoxyphenyl)imidazo[1,2-a]pyrazin-2-yl]pentanoic acid

5-[3-hydroxy-6-(4-methoxyphenyl)imidazo[1,2-a]pyrazin-2-yl]pentanoic acid (PubChem CID 139620580) has the molecular formula C18H19N3O4 and a molecular weight of 341.37 g/mol. Its IUPAC name is 5-[3-hydroxy-6-(4-methoxyphenyl)imidazo[1,2-a]pyrazin-2-yl]pentanoic acid.

Molecular Properties

Compound Name5-[3-hydroxy-6-(4-methoxyphenyl)imidazo[1,2-a]pyrazin-2-yl]pentanoic acid
PubChem CID139620580
Molecular FormulaC18H19N3O4
Molecular Weight341.37 g/mol
Exact Mass341.14
IUPAC Name5-[3-hydroxy-6-(4-methoxyphenyl)imidazo[1,2-a]pyrazin-2-yl]pentanoic acid
SMILESCOc1ccc(-c2cn3c(O)c(CCCCC(=O)O)nc3cn2)cc1
InChIInChI=1S/C18H19N3O4/c1-25-13-8-6-12(7-9-13)15-11-21-16(10-19-15)20-14(18(21)24)4-2-3-5-17(22)23/h6-11,24H,2-5H2,1H3,(H,22,23)
InChIKeyIUNNPHQUHADFGD-UHFFFAOYSA-N
XLogP2.91
TPSA96.95 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.37
LogP ≤ 52.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-[4-(4-methoxyphenyl)pyrazol-1-yl]butanoic acid
CID 139033660
6-[4-(4-aminobutoxy)phenyl]-2-tert-butylimidazo[1,2-a]pyrazin-3-ol
CID 136918359
6-(4-methoxyphenyl)-[1,2,4]triazolo[4,3-a]pyrazin-3-amine
CID 136664249
methyl 3-(4-methoxyphenyl)pyrrolo[1,2-a]pyrazine-6-carboxylate
CID 162403402
6-(4-methoxyphenyl)pyridazine-4-carboxylic acid
CID 121205221
6-(4-methoxyphenyl)-3-propylimidazo[2,1-b][1,3]thiazole-2-carboxylic acid
CID 92914171
3-[1-tert-butyl-3-(4-methoxyphenyl)pyrazol-4-yl]propanoic acid
CID 39096185
6-(4-methoxyphenyl)pyridin-3-ol
CID 53229210
N-[3-[3-(4-methoxyphenyl)imidazo[1,2-a]pyrazin-6-yl]phenyl]acetamide
CID 155548764
7-[[5-(4-methoxyphenyl)pyridine-3-carbonyl]amino]heptanoic acid
CID 119350793
5-[2-(4-methoxyphenyl)benzimidazol-1-yl]pentanoic acid
CID 57458903
4-[[3-(4-methoxyphenyl)-1H-pyrazole-5-carbonyl]amino]butanoic acid
CID 72910598

Frequently Asked Questions

What is the IUPAC name of 5-[3-hydroxy-6-(4-methoxyphenyl)imidazo[1,2-a]pyrazin-2-yl]pentanoic acid?
The IUPAC name of 5-[3-hydroxy-6-(4-methoxyphenyl)imidazo[1,2-a]pyrazin-2-yl]pentanoic acid (CID 139620580) is 5-[3-hydroxy-6-(4-methoxyphenyl)imidazo[1,2-a]pyrazin-2-yl]pentanoic acid.
What is the SMILES notation for 5-[3-hydroxy-6-(4-methoxyphenyl)imidazo[1,2-a]pyrazin-2-yl]pentanoic acid?
The canonical SMILES for 5-[3-hydroxy-6-(4-methoxyphenyl)imidazo[1,2-a]pyrazin-2-yl]pentanoic acid is COc1ccc(-c2cn3c(O)c(CCCCC(=O)O)nc3cn2)cc1.
What is the InChIKey of 5-[3-hydroxy-6-(4-methoxyphenyl)imidazo[1,2-a]pyrazin-2-yl]pentanoic acid?
The InChIKey is IUNNPHQUHADFGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O4/c1-25-13-8-6-12(7-9-13)15-11-21-16(10-19-15)20-14(18(21)24)4-2-3-5-17(22)23/h6-11,24H,2-5H2,1H3,(H,22,23).
What are the key properties of 5-[3-hydroxy-6-(4-methoxyphenyl)imidazo[1,2-a]pyrazin-2-yl]pentanoic acid?
5-[3-hydroxy-6-(4-methoxyphenyl)imidazo[1,2-a]pyrazin-2-yl]pentanoic acid has a molecular weight of 341.37 g/mol, XLogP of 2.91, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-hydroxy-6-(4-methoxyphenyl)imidazo[1,2-a]pyrazin-2-yl]pentanoic acid is sourced from PubChem (CID 139620580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).