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

C21H16N4O3 — CID 147289846

IUPAC4-[3-[[6-(1H-pyrazol-5-yl)-3-pyridinyl]oxymethyl]phenyl]pyridine-2-carboxylic acid
SMILESO=C(O)c1cc(-c2cccc(COc3ccc(-c4ccn[nH]4)nc3)c2)ccn1
InChIInChI=1S/C21H16N4O3/c26-21(27)20-11-16(6-8-22-20)15-3-1-2-14(10-15)13-28-17-4-5-18(23-12-17)19-7-9-24-25-19/h1-12H,13H2,(H,24,25)(H,26,27)
InChIKeyCTYUBVWFESEOQB-UHFFFAOYSA-N
MW372.38 g/mol
LogP3.81
Rot. Bonds6

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

4-[3-[[6-(1H-pyrazol-5-yl)-3-pyridinyl]oxymethyl]phenyl]pyridine-2-carboxylic acid (PubChem CID 147289846) has the molecular formula C21H16N4O3 and a molecular weight of 372.38 g/mol. Its IUPAC name is 4-[3-[[6-(1H-pyrazol-5-yl)-3-pyridinyl]oxymethyl]phenyl]pyridine-2-carboxylic acid.

Molecular Properties

Compound Name4-[3-[[6-(1H-pyrazol-5-yl)-3-pyridinyl]oxymethyl]phenyl]pyridine-2-carboxylic acid
PubChem CID147289846
Molecular FormulaC21H16N4O3
Molecular Weight372.38 g/mol
Exact Mass372.12
IUPAC Name4-[3-[[6-(1H-pyrazol-5-yl)-3-pyridinyl]oxymethyl]phenyl]pyridine-2-carboxylic acid
SMILESO=C(O)c1cc(-c2cccc(COc3ccc(-c4ccn[nH]4)nc3)c2)ccn1
InChIInChI=1S/C21H16N4O3/c26-21(27)20-11-16(6-8-22-20)15-3-1-2-14(10-15)13-28-17-4-5-18(23-12-17)19-7-9-24-25-19/h1-12H,13H2,(H,24,25)(H,26,27)
InChIKeyCTYUBVWFESEOQB-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

Analyze 4-[3-[[6-(1H-pyrazol-5-yl)-3-pyridinyl]oxymethyl]phenyl]pyridine-2-carboxylic acid with MolForge

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Related Compounds

4-[[6-(1H-pyrazol-5-yl)-3-pyridinyl]oxymethyl]benzoic acid
CID 142526977
5-[(3-methylphenyl)methoxy]-2-(1H-pyrazol-5-yl)pyridine
CID 130360604
2-methoxy-4-[[6-(1H-pyrazol-5-yl)-3-pyridinyl]oxymethyl]benzoic acid
CID 142526497
2-[[[3-[[6-(1H-pyrazol-5-yl)-3-pyridinyl]oxymethyl]benzoyl]amino]methyl]benzoic acid
CID 148717921
ethyl (E)-3-[3-[[6-(1H-pyrazol-5-yl)-3-pyridinyl]oxymethyl]phenyl]prop-2-enoate
CID 142527004
2-[5-[[6-(1H-pyrazol-5-yl)-3-pyridinyl]oxymethyl]indazol-1-yl]acetic acid
CID 142526512
N-(2-methoxypropyl)-3-[3-[[6-(1H-pyrazol-5-yl)-3-pyridinyl]oxymethyl]phenyl]propanamide
CID 152802846
ethyl 3-hydroxy-3-[3-[[6-(1H-pyrazol-5-yl)-3-pyridinyl]oxymethyl]phenyl]cyclobutane-1-carboxylate
CID 146658371
7-[2-oxo-2-[3-[[6-(1H-pyrazol-5-yl)-3-pyridinyl]oxymethyl]phenyl]ethyl]-2,6,7,8,9,9a-hexahydro-1H-3-benzazepine-5-carboxylic acid
CID 137487740
5-[(4-tert-butylphenyl)methoxy]-2-(1H-pyrazol-5-yl)pyridine
CID 155790764
6-[[6-(1H-pyrazol-5-yl)-3-pyridinyl]oxy]hexanoic acid
CID 142527040
2-[2-methanimidoyl-4-[[6-(1H-pyrazol-5-yl)-3-pyridinyl]oxymethyl]anilino]acetic acid
CID 154931289

Frequently Asked Questions

What is the IUPAC name of 4-[3-[[6-(1H-pyrazol-5-yl)-3-pyridinyl]oxymethyl]phenyl]pyridine-2-carboxylic acid?
The IUPAC name of 4-[3-[[6-(1H-pyrazol-5-yl)-3-pyridinyl]oxymethyl]phenyl]pyridine-2-carboxylic acid (CID 147289846) is 4-[3-[[6-(1H-pyrazol-5-yl)-3-pyridinyl]oxymethyl]phenyl]pyridine-2-carboxylic acid.
What is the SMILES notation for 4-[3-[[6-(1H-pyrazol-5-yl)-3-pyridinyl]oxymethyl]phenyl]pyridine-2-carboxylic acid?
The canonical SMILES for 4-[3-[[6-(1H-pyrazol-5-yl)-3-pyridinyl]oxymethyl]phenyl]pyridine-2-carboxylic acid is O=C(O)c1cc(-c2cccc(COc3ccc(-c4ccn[nH]4)nc3)c2)ccn1.
What is the InChIKey of 4-[3-[[6-(1H-pyrazol-5-yl)-3-pyridinyl]oxymethyl]phenyl]pyridine-2-carboxylic acid?
The InChIKey is CTYUBVWFESEOQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16N4O3/c26-21(27)20-11-16(6-8-22-20)15-3-1-2-14(10-15)13-28-17-4-5-18(23-12-17)19-7-9-24-25-19/h1-12H,13H2,(H,24,25)(H,26,27).
What are the key properties of 4-[3-[[6-(1H-pyrazol-5-yl)-3-pyridinyl]oxymethyl]phenyl]pyridine-2-carboxylic acid?
4-[3-[[6-(1H-pyrazol-5-yl)-3-pyridinyl]oxymethyl]phenyl]pyridine-2-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 4-[3-[[6-(1H-pyrazol-5-yl)-3-pyridinyl]oxymethyl]phenyl]pyridine-2-carboxylic acid is sourced from PubChem (CID 147289846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).