8-(3-phenylpropoxy)imidazo[1,2-a]pyridine-2-carboxylic acid

C17H16N2O3 — CID 82055693

IUPAC8-(3-phenylpropoxy)imidazo[1,2-a]pyridine-2-carboxylic acid
SMILESO=C(O)c1cn2cccc(OCCCc3ccccc3)c2n1
InChIInChI=1S/C17H16N2O3/c20-17(21)14-12-19-10-4-9-15(16(19)18-14)22-11-5-8-13-6-2-1-3-7-13/h1-4,6-7,9-10,12H,5,8,11H2,(H,20,21)
InChIKeyXTHMLUWLQRVNHC-UHFFFAOYSA-N
MW296.33 g/mol
LogP3.04
Rot. Bonds6

About 8-(3-phenylpropoxy)imidazo[1,2-a]pyridine-2-carboxylic acid

8-(3-phenylpropoxy)imidazo[1,2-a]pyridine-2-carboxylic acid (PubChem CID 82055693) has the molecular formula C17H16N2O3 and a molecular weight of 296.33 g/mol. Its IUPAC name is 8-(3-phenylpropoxy)imidazo[1,2-a]pyridine-2-carboxylic acid.

Molecular Properties

Compound Name8-(3-phenylpropoxy)imidazo[1,2-a]pyridine-2-carboxylic acid
PubChem CID82055693
Molecular FormulaC17H16N2O3
Molecular Weight296.33 g/mol
Exact Mass296.12
IUPAC Name8-(3-phenylpropoxy)imidazo[1,2-a]pyridine-2-carboxylic acid
SMILESO=C(O)c1cn2cccc(OCCCc3ccccc3)c2n1
InChIInChI=1S/C17H16N2O3/c20-17(21)14-12-19-10-4-9-15(16(19)18-14)22-11-5-8-13-6-2-1-3-7-13/h1-4,6-7,9-10,12H,5,8,11H2,(H,20,21)
InChIKeyXTHMLUWLQRVNHC-UHFFFAOYSA-N
XLogP3.04
TPSA63.83 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.33
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[8-(2-phenylethoxy)imidazo[1,2-a]pyridin-2-yl]acetic acid
CID 82055648
8-[(4-propan-2-ylphenyl)methoxy]imidazo[1,2-a]pyridine-2-carboxylic acid
CID 82055681
2-[8-(3-hydroxypropoxy)imidazo[1,2-a]pyridin-2-yl]acetic acid
CID 82055660
[8-(3-phenoxypropoxy)imidazo[1,2-a]pyridin-2-yl]methanamine
CID 82055913
(8-phenylmethoxyimidazo[1,2-a]pyridin-2-yl)methanamine
CID 82055890
5-[2-oxo-3-(3-phenylpropoxy)-1-pyridinyl]pentanoic acid
CID 82151546
2-(2-methylimidazo[1,2-a]pyridin-8-yl)oxyethanol
CID 82147143
4-fluoro-2-(3-phenylpropoxy)benzoic acid
CID 107014329
2-(methylamino)-N-[2-(3-phenylpropoxy)phenyl]acetamide
CID 54820711
6-fluoro-8-(2-methoxyethoxy)imidazo[1,2-a]pyridine-2-carboxylic acid
CID 154069598
5-[2-oxo-3-(2-phenylethoxy)-1-pyridinyl]pentanoic acid
CID 94758205
4-(2-methylimidazo[1,2-a]pyridin-8-yl)oxybutan-1-amine
CID 82146556

Frequently Asked Questions

What is the IUPAC name of 8-(3-phenylpropoxy)imidazo[1,2-a]pyridine-2-carboxylic acid?
The IUPAC name of 8-(3-phenylpropoxy)imidazo[1,2-a]pyridine-2-carboxylic acid (CID 82055693) is 8-(3-phenylpropoxy)imidazo[1,2-a]pyridine-2-carboxylic acid.
What is the SMILES notation for 8-(3-phenylpropoxy)imidazo[1,2-a]pyridine-2-carboxylic acid?
The canonical SMILES for 8-(3-phenylpropoxy)imidazo[1,2-a]pyridine-2-carboxylic acid is O=C(O)c1cn2cccc(OCCCc3ccccc3)c2n1.
What is the InChIKey of 8-(3-phenylpropoxy)imidazo[1,2-a]pyridine-2-carboxylic acid?
The InChIKey is XTHMLUWLQRVNHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2O3/c20-17(21)14-12-19-10-4-9-15(16(19)18-14)22-11-5-8-13-6-2-1-3-7-13/h1-4,6-7,9-10,12H,5,8,11H2,(H,20,21).
What are the key properties of 8-(3-phenylpropoxy)imidazo[1,2-a]pyridine-2-carboxylic acid?
8-(3-phenylpropoxy)imidazo[1,2-a]pyridine-2-carboxylic acid has a molecular weight of 296.33 g/mol, XLogP of 3.04, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(3-phenylpropoxy)imidazo[1,2-a]pyridine-2-carboxylic acid is sourced from PubChem (CID 82055693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).