2-[3-[[6-(1H-pyrazol-5-yl)-3-pyridinyl]oxy]propyl]pyridine-4-carboxylic acid

C17H16N4O3 — CID 142526840

IUPAC2-[3-[[6-(1H-pyrazol-5-yl)-3-pyridinyl]oxy]propyl]pyridine-4-carboxylic acid
SMILESO=C(O)c1ccnc(CCCOc2ccc(-c3ccn[nH]3)nc2)c1
InChIInChI=1S/C17H16N4O3/c22-17(23)12-5-7-18-13(10-12)2-1-9-24-14-3-4-15(19-11-14)16-6-8-20-21-16/h3-8,10-11H,1-2,9H2,(H,20,21)(H,22,23)
InChIKeyLEHVCLWLSYBSTR-UHFFFAOYSA-N
MW324.34 g/mol
LogP2.58
Rot. Bonds7

About 2-[3-[[6-(1H-pyrazol-5-yl)-3-pyridinyl]oxy]propyl]pyridine-4-carboxylic acid

2-[3-[[6-(1H-pyrazol-5-yl)-3-pyridinyl]oxy]propyl]pyridine-4-carboxylic acid (PubChem CID 142526840) has the molecular formula C17H16N4O3 and a molecular weight of 324.34 g/mol. Its IUPAC name is 2-[3-[[6-(1H-pyrazol-5-yl)-3-pyridinyl]oxy]propyl]pyridine-4-carboxylic acid.

Molecular Properties

Compound Name2-[3-[[6-(1H-pyrazol-5-yl)-3-pyridinyl]oxy]propyl]pyridine-4-carboxylic acid
PubChem CID142526840
Molecular FormulaC17H16N4O3
Molecular Weight324.34 g/mol
Exact Mass324.12
IUPAC Name2-[3-[[6-(1H-pyrazol-5-yl)-3-pyridinyl]oxy]propyl]pyridine-4-carboxylic acid
SMILESO=C(O)c1ccnc(CCCOc2ccc(-c3ccn[nH]3)nc2)c1
InChIInChI=1S/C17H16N4O3/c22-17(23)12-5-7-18-13(10-12)2-1-9-24-14-3-4-15(19-11-14)16-6-8-20-21-16/h3-8,10-11H,1-2,9H2,(H,20,21)(H,22,23)
InChIKeyLEHVCLWLSYBSTR-UHFFFAOYSA-N
XLogP2.58
TPSA100.99 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.34
LogP ≤ 52.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[3-[[6-(1H-pyrazol-5-yl)-3-pyridinyl]oxy]propyl]pyridine-4-carboxylic acid?
The IUPAC name of 2-[3-[[6-(1H-pyrazol-5-yl)-3-pyridinyl]oxy]propyl]pyridine-4-carboxylic acid (CID 142526840) is 2-[3-[[6-(1H-pyrazol-5-yl)-3-pyridinyl]oxy]propyl]pyridine-4-carboxylic acid.
What is the SMILES notation for 2-[3-[[6-(1H-pyrazol-5-yl)-3-pyridinyl]oxy]propyl]pyridine-4-carboxylic acid?
The canonical SMILES for 2-[3-[[6-(1H-pyrazol-5-yl)-3-pyridinyl]oxy]propyl]pyridine-4-carboxylic acid is O=C(O)c1ccnc(CCCOc2ccc(-c3ccn[nH]3)nc2)c1.
What is the InChIKey of 2-[3-[[6-(1H-pyrazol-5-yl)-3-pyridinyl]oxy]propyl]pyridine-4-carboxylic acid?
The InChIKey is LEHVCLWLSYBSTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N4O3/c22-17(23)12-5-7-18-13(10-12)2-1-9-24-14-3-4-15(19-11-14)16-6-8-20-21-16/h3-8,10-11H,1-2,9H2,(H,20,21)(H,22,23).
What are the key properties of 2-[3-[[6-(1H-pyrazol-5-yl)-3-pyridinyl]oxy]propyl]pyridine-4-carboxylic acid?
2-[3-[[6-(1H-pyrazol-5-yl)-3-pyridinyl]oxy]propyl]pyridine-4-carboxylic acid has a molecular weight of 324.34 g/mol, XLogP of 2.58, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[[6-(1H-pyrazol-5-yl)-3-pyridinyl]oxy]propyl]pyridine-4-carboxylic acid is sourced from PubChem (CID 142526840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).