3-fluoro-4-[2-[[6-(2-methylpyrazol-3-yl)-2-pyridinyl]oxy]ethoxy]benzonitrile

C18H15FN4O2 — CID 138471285

IUPAC3-fluoro-4-[2-[[6-(2-methylpyrazol-3-yl)-2-pyridinyl]oxy]ethoxy]benzonitrile
SMILESCn1nccc1-c1cccc(OCCOc2ccc(C#N)cc2F)n1
InChIInChI=1S/C18H15FN4O2/c1-23-16(7-8-21-23)15-3-2-4-18(22-15)25-10-9-24-17-6-5-13(12-20)11-14(17)19/h2-8,11H,9-10H2,1H3
InChIKeyIRNVYHYCXKVKGG-UHFFFAOYSA-N
MW338.34 g/mol
LogP2.95
Rot. Bonds6

About 3-fluoro-4-[2-[[6-(2-methylpyrazol-3-yl)-2-pyridinyl]oxy]ethoxy]benzonitrile

3-fluoro-4-[2-[[6-(2-methylpyrazol-3-yl)-2-pyridinyl]oxy]ethoxy]benzonitrile (PubChem CID 138471285) has the molecular formula C18H15FN4O2 and a molecular weight of 338.34 g/mol. Its IUPAC name is 3-fluoro-4-[2-[[6-(2-methylpyrazol-3-yl)-2-pyridinyl]oxy]ethoxy]benzonitrile.

Molecular Properties

Compound Name3-fluoro-4-[2-[[6-(2-methylpyrazol-3-yl)-2-pyridinyl]oxy]ethoxy]benzonitrile
PubChem CID138471285
Molecular FormulaC18H15FN4O2
Molecular Weight338.34 g/mol
Exact Mass338.12
IUPAC Name3-fluoro-4-[2-[[6-(2-methylpyrazol-3-yl)-2-pyridinyl]oxy]ethoxy]benzonitrile
SMILESCn1nccc1-c1cccc(OCCOc2ccc(C#N)cc2F)n1
InChIInChI=1S/C18H15FN4O2/c1-23-16(7-8-21-23)15-3-2-4-18(22-15)25-10-9-24-17-6-5-13(12-20)11-14(17)19/h2-8,11H,9-10H2,1H3
InChIKeyIRNVYHYCXKVKGG-UHFFFAOYSA-N
XLogP2.95
TPSA72.96 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.34
LogP ≤ 52.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

Jnj-42259152
CID 51353528
3-fluoro-4-[(2S)-1-[3-(2-methylpyrazol-3-yl)phenoxy]propan-2-yl]oxybenzonitrile
CID 138471321
3-Methoxy-4-[2-[3-(2-methylpyrazol-3-yl)phenoxy]ethoxy]benzonitrile
CID 138471340
1-[3-(2-fluoro-4-methoxyphenyl)-1-phenyl-1H-pyrazol-4-yl]-N-(3-pyridinylmethyl)methanamine
CID 16189779
6-Amino-3-(4-ethoxyphenyl)-4-(pyridin-3-yl)-1,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
CID 664707
3-[4-(4-Fluoro-phenoxy)-phenyl]-1-methyl-1H-pyrazole
CID 11242617
2-[4-(3-Piperidin-1-yl-propoxy)-phenyl]-pyrazolo[1,5-a]pyridine
CID 44215412
2-Ethoxy-6-[[4-[1-(2-fluoroethyl)-4-pyridin-4-ylpyrazol-3-yl]phenoxy]methyl]pyridine
CID 53465400
6-[[4-[1-(2-Fluoroethyl)-4-pyridin-4-ylpyrazol-3-yl]phenoxy]methyl]pyridine-2-carbonitrile
CID 53465401
2-[[4-[1-(2-Fluoroethyl)-4-pyridin-4-ylpyrazol-3-yl]phenoxy]methyl]-3,4,5-trimethylpyridine
CID 53465404
2-[[4-[1-(2-Fluoroethyl)-4-pyridin-4-ylpyrazol-3-yl]phenoxy]methyl]-5-methoxypyridine
CID 53466370
2-[[4-[1-(2-Fluoroethyl)-4-pyridin-4-ylpyrazol-3-yl]phenoxy]methyl]-6-methylpyridine
CID 53466372

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-4-[2-[[6-(2-methylpyrazol-3-yl)-2-pyridinyl]oxy]ethoxy]benzonitrile?
The IUPAC name of 3-fluoro-4-[2-[[6-(2-methylpyrazol-3-yl)-2-pyridinyl]oxy]ethoxy]benzonitrile (CID 138471285) is 3-fluoro-4-[2-[[6-(2-methylpyrazol-3-yl)-2-pyridinyl]oxy]ethoxy]benzonitrile.
What is the SMILES notation for 3-fluoro-4-[2-[[6-(2-methylpyrazol-3-yl)-2-pyridinyl]oxy]ethoxy]benzonitrile?
The canonical SMILES for 3-fluoro-4-[2-[[6-(2-methylpyrazol-3-yl)-2-pyridinyl]oxy]ethoxy]benzonitrile is Cn1nccc1-c1cccc(OCCOc2ccc(C#N)cc2F)n1.
What is the InChIKey of 3-fluoro-4-[2-[[6-(2-methylpyrazol-3-yl)-2-pyridinyl]oxy]ethoxy]benzonitrile?
The InChIKey is IRNVYHYCXKVKGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15FN4O2/c1-23-16(7-8-21-23)15-3-2-4-18(22-15)25-10-9-24-17-6-5-13(12-20)11-14(17)19/h2-8,11H,9-10H2,1H3.
What are the key properties of 3-fluoro-4-[2-[[6-(2-methylpyrazol-3-yl)-2-pyridinyl]oxy]ethoxy]benzonitrile?
3-fluoro-4-[2-[[6-(2-methylpyrazol-3-yl)-2-pyridinyl]oxy]ethoxy]benzonitrile has a molecular weight of 338.34 g/mol, XLogP of 2.95, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-4-[2-[[6-(2-methylpyrazol-3-yl)-2-pyridinyl]oxy]ethoxy]benzonitrile is sourced from PubChem (CID 138471285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).