2-(4-morpholin-4-ylphenyl)-1H-imidazo[4,5-b]pyridine-7-carboxylic acid

C17H16N4O3 — CID 140538831

IUPAC2-(4-morpholin-4-ylphenyl)-1H-imidazo[4,5-b]pyridine-7-carboxylic acid
SMILESO=C(O)c1ccnc2nc(-c3ccc(N4CCOCC4)cc3)[nH]c12
InChIInChI=1S/C17H16N4O3/c22-17(23)13-5-6-18-16-14(13)19-15(20-16)11-1-3-12(4-2-11)21-7-9-24-10-8-21/h1-6H,7-10H2,(H,22,23)(H,18,19,20)
InChIKeyMUFRLVBIHPTHDD-UHFFFAOYSA-N
MW324.34 g/mol
LogP2.16
Rot. Bonds3

About 2-(4-morpholin-4-ylphenyl)-1H-imidazo[4,5-b]pyridine-7-carboxylic acid

2-(4-morpholin-4-ylphenyl)-1H-imidazo[4,5-b]pyridine-7-carboxylic acid (PubChem CID 140538831) has the molecular formula C17H16N4O3 and a molecular weight of 324.34 g/mol. Its IUPAC name is 2-(4-morpholin-4-ylphenyl)-1H-imidazo[4,5-b]pyridine-7-carboxylic acid.

Molecular Properties

Compound Name2-(4-morpholin-4-ylphenyl)-1H-imidazo[4,5-b]pyridine-7-carboxylic acid
PubChem CID140538831
Molecular FormulaC17H16N4O3
Molecular Weight324.34 g/mol
Exact Mass324.12
IUPAC Name2-(4-morpholin-4-ylphenyl)-1H-imidazo[4,5-b]pyridine-7-carboxylic acid
SMILESO=C(O)c1ccnc2nc(-c3ccc(N4CCOCC4)cc3)[nH]c12
InChIInChI=1S/C17H16N4O3/c22-17(23)13-5-6-18-16-14(13)19-15(20-16)11-1-3-12(4-2-11)21-7-9-24-10-8-21/h1-6H,7-10H2,(H,22,23)(H,18,19,20)
InChIKeyMUFRLVBIHPTHDD-UHFFFAOYSA-N
XLogP2.16
TPSA91.34 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.34
LogP ≤ 52.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_G(9)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(4-morpholin-4-ylphenyl)-1H-imidazo[4,5-b]pyridine-7-carboxylic acid?
The IUPAC name of 2-(4-morpholin-4-ylphenyl)-1H-imidazo[4,5-b]pyridine-7-carboxylic acid (CID 140538831) is 2-(4-morpholin-4-ylphenyl)-1H-imidazo[4,5-b]pyridine-7-carboxylic acid.
What is the SMILES notation for 2-(4-morpholin-4-ylphenyl)-1H-imidazo[4,5-b]pyridine-7-carboxylic acid?
The canonical SMILES for 2-(4-morpholin-4-ylphenyl)-1H-imidazo[4,5-b]pyridine-7-carboxylic acid is O=C(O)c1ccnc2nc(-c3ccc(N4CCOCC4)cc3)[nH]c12.
What is the InChIKey of 2-(4-morpholin-4-ylphenyl)-1H-imidazo[4,5-b]pyridine-7-carboxylic acid?
The InChIKey is MUFRLVBIHPTHDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N4O3/c22-17(23)13-5-6-18-16-14(13)19-15(20-16)11-1-3-12(4-2-11)21-7-9-24-10-8-21/h1-6H,7-10H2,(H,22,23)(H,18,19,20).
What are the key properties of 2-(4-morpholin-4-ylphenyl)-1H-imidazo[4,5-b]pyridine-7-carboxylic acid?
2-(4-morpholin-4-ylphenyl)-1H-imidazo[4,5-b]pyridine-7-carboxylic acid has a molecular weight of 324.34 g/mol, XLogP of 2.16, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-morpholin-4-ylphenyl)-1H-imidazo[4,5-b]pyridine-7-carboxylic acid is sourced from PubChem (CID 140538831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).