6-[3-[[6-(1H-pyrazol-5-yl)-3-pyridinyl]oxymethyl]phenyl]pyridine-3-carboxylic acid

C21H16N4O3 — CID 152962384

IUPAC6-[3-[[6-(1H-pyrazol-5-yl)-3-pyridinyl]oxymethyl]phenyl]pyridine-3-carboxylic acid
SMILESO=C(O)c1ccc(-c2cccc(COc3ccc(-c4ccn[nH]4)nc3)c2)nc1
InChIInChI=1S/C21H16N4O3/c26-21(27)16-4-6-18(22-11-16)15-3-1-2-14(10-15)13-28-17-5-7-19(23-12-17)20-8-9-24-25-20/h1-12H,13H2,(H,24,25)(H,26,27)
InChIKeyUQVHCGVJLGKALZ-UHFFFAOYSA-N
MW372.38 g/mol
LogP3.81
Rot. Bonds6

About 6-[3-[[6-(1H-pyrazol-5-yl)-3-pyridinyl]oxymethyl]phenyl]pyridine-3-carboxylic acid

6-[3-[[6-(1H-pyrazol-5-yl)-3-pyridinyl]oxymethyl]phenyl]pyridine-3-carboxylic acid (PubChem CID 152962384) has the molecular formula C21H16N4O3 and a molecular weight of 372.38 g/mol. Its IUPAC name is 6-[3-[[6-(1H-pyrazol-5-yl)-3-pyridinyl]oxymethyl]phenyl]pyridine-3-carboxylic acid.

Molecular Properties

Compound Name6-[3-[[6-(1H-pyrazol-5-yl)-3-pyridinyl]oxymethyl]phenyl]pyridine-3-carboxylic acid
PubChem CID152962384
Molecular FormulaC21H16N4O3
Molecular Weight372.38 g/mol
Exact Mass372.12
IUPAC Name6-[3-[[6-(1H-pyrazol-5-yl)-3-pyridinyl]oxymethyl]phenyl]pyridine-3-carboxylic acid
SMILESO=C(O)c1ccc(-c2cccc(COc3ccc(-c4ccn[nH]4)nc3)c2)nc1
InChIInChI=1S/C21H16N4O3/c26-21(27)16-4-6-18(22-11-16)15-3-1-2-14(10-15)13-28-17-5-7-19(23-12-17)20-8-9-24-25-20/h1-12H,13H2,(H,24,25)(H,26,27)
InChIKeyUQVHCGVJLGKALZ-UHFFFAOYSA-N
XLogP3.81
TPSA100.99 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.38
LogP ≤ 53.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-[3-[[6-(1H-pyrazol-5-yl)-3-pyridinyl]oxymethyl]phenyl]pyridine-3-carboxylic acid?
The IUPAC name of 6-[3-[[6-(1H-pyrazol-5-yl)-3-pyridinyl]oxymethyl]phenyl]pyridine-3-carboxylic acid (CID 152962384) is 6-[3-[[6-(1H-pyrazol-5-yl)-3-pyridinyl]oxymethyl]phenyl]pyridine-3-carboxylic acid.
What is the SMILES notation for 6-[3-[[6-(1H-pyrazol-5-yl)-3-pyridinyl]oxymethyl]phenyl]pyridine-3-carboxylic acid?
The canonical SMILES for 6-[3-[[6-(1H-pyrazol-5-yl)-3-pyridinyl]oxymethyl]phenyl]pyridine-3-carboxylic acid is O=C(O)c1ccc(-c2cccc(COc3ccc(-c4ccn[nH]4)nc3)c2)nc1.
What is the InChIKey of 6-[3-[[6-(1H-pyrazol-5-yl)-3-pyridinyl]oxymethyl]phenyl]pyridine-3-carboxylic acid?
The InChIKey is UQVHCGVJLGKALZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16N4O3/c26-21(27)16-4-6-18(22-11-16)15-3-1-2-14(10-15)13-28-17-5-7-19(23-12-17)20-8-9-24-25-20/h1-12H,13H2,(H,24,25)(H,26,27).
What are the key properties of 6-[3-[[6-(1H-pyrazol-5-yl)-3-pyridinyl]oxymethyl]phenyl]pyridine-3-carboxylic acid?
6-[3-[[6-(1H-pyrazol-5-yl)-3-pyridinyl]oxymethyl]phenyl]pyridine-3-carboxylic acid has a molecular weight of 372.38 g/mol, XLogP of 3.81, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[3-[[6-(1H-pyrazol-5-yl)-3-pyridinyl]oxymethyl]phenyl]pyridine-3-carboxylic acid is sourced from PubChem (CID 152962384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).