3-fluoro-2-[[4-[1-(2-fluoroethyl)-4-pyridin-4-ylpyrazol-3-yl]phenoxy]methyl]pyridine

C22H18F2N4O — CID 53466523

IUPAC3-fluoro-2-[[4-[1-(2-fluoroethyl)-4-pyridin-4-ylpyrazol-3-yl]phenoxy]methyl]pyridine
SMILESFCCn1cc(-c2ccncc2)c(-c2ccc(OCc3ncccc3F)cc2)n1
InChIInChI=1S/C22H18F2N4O/c23-9-13-28-14-19(16-7-11-25-12-8-16)22(27-28)17-3-5-18(6-4-17)29-15-21-20(24)2-1-10-26-21/h1-8,10-12,14H,9,13,15H2
InChIKeySQYFTBKDXCODEM-UHFFFAOYSA-N
MW392.41 g/mol
LogP4.69
Rot. Bonds7

About 3-fluoro-2-[[4-[1-(2-fluoroethyl)-4-pyridin-4-ylpyrazol-3-yl]phenoxy]methyl]pyridine

3-fluoro-2-[[4-[1-(2-fluoroethyl)-4-pyridin-4-ylpyrazol-3-yl]phenoxy]methyl]pyridine (PubChem CID 53466523) has the molecular formula C22H18F2N4O and a molecular weight of 392.41 g/mol. Its IUPAC name is 3-fluoro-2-[[4-[1-(2-fluoroethyl)-4-pyridin-4-ylpyrazol-3-yl]phenoxy]methyl]pyridine.

Molecular Properties

Compound Name3-fluoro-2-[[4-[1-(2-fluoroethyl)-4-pyridin-4-ylpyrazol-3-yl]phenoxy]methyl]pyridine
PubChem CID53466523
Molecular FormulaC22H18F2N4O
Molecular Weight392.41 g/mol
Exact Mass392.14
IUPAC Name3-fluoro-2-[[4-[1-(2-fluoroethyl)-4-pyridin-4-ylpyrazol-3-yl]phenoxy]methyl]pyridine
SMILESFCCn1cc(-c2ccncc2)c(-c2ccc(OCc3ncccc3F)cc2)n1
InChIInChI=1S/C22H18F2N4O/c23-9-13-28-14-19(16-7-11-25-12-8-16)22(27-28)17-3-5-18(6-4-17)29-15-21-20(24)2-1-10-26-21/h1-8,10-12,14H,9,13,15H2
InChIKeySQYFTBKDXCODEM-UHFFFAOYSA-N
XLogP4.69
TPSA52.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.41
LogP ≤ 54.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-((4-(1-methyl-4-pyridin-4-yl-1H-pyrazol-3-yl)phenoxy)methyl)quinoline
CID 11581936
2-{4-[4-Pyridin-4-YL-1-(2,2,2-trifluoro-ethyl)-1H-pyrazol-3-YL]-phenoxymethyl}-quinoline
CID 11648276
2-((4-(4-pyridin-4-yl-1H-pyrazol-3-yl)phenoxy)methyl)quinoline
CID 11610553
2-[4-(1-Ethyl-4-pyridin-4-yl-1H-pyrazol-3-yl)-phenoxymethyl]-quinoline
CID 11682906
2-({4-[4-(pyridin-4-ylmethyl)-1H-pyrazol-3-yl]phenoxy}methyl)quinoline
CID 44141871
Mardepodect hydrochloride
CID 122412737
2-[4-methoxyphenyl]-4-(3-pyridin-2-yl-1H-pyrazol-4-yl)pyridine
CID 9901964
2-[4-(1-Methyl-4-pyridin-4-yl-1H-pyrazol-3-yl)-phenoxymethyl]-quinoxaline
CID 11545641
4-{2-[(4-{4-[3-(pyridin-2-yl)-1H-pyrazol-4-yl]-pyridin-2-yl}-phenyl)oxy]ethyl}morpholine
CID 11604319
2-[4-(2-Ethyl-4-pyridin-4-yl-2H-pyrazol-3-yl)-phenoxymethyl]-quinoline
CID 11661426
Pyrazole, 17
CID 11668015
2-[(4-(2-Methyl-4-(pyridin-4-yl)-2H-pyrazol-3-yl)phenoxy)methyl]quinoline
CID 11668304

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-2-[[4-[1-(2-fluoroethyl)-4-pyridin-4-ylpyrazol-3-yl]phenoxy]methyl]pyridine?
The IUPAC name of 3-fluoro-2-[[4-[1-(2-fluoroethyl)-4-pyridin-4-ylpyrazol-3-yl]phenoxy]methyl]pyridine (CID 53466523) is 3-fluoro-2-[[4-[1-(2-fluoroethyl)-4-pyridin-4-ylpyrazol-3-yl]phenoxy]methyl]pyridine.
What is the SMILES notation for 3-fluoro-2-[[4-[1-(2-fluoroethyl)-4-pyridin-4-ylpyrazol-3-yl]phenoxy]methyl]pyridine?
The canonical SMILES for 3-fluoro-2-[[4-[1-(2-fluoroethyl)-4-pyridin-4-ylpyrazol-3-yl]phenoxy]methyl]pyridine is FCCn1cc(-c2ccncc2)c(-c2ccc(OCc3ncccc3F)cc2)n1.
What is the InChIKey of 3-fluoro-2-[[4-[1-(2-fluoroethyl)-4-pyridin-4-ylpyrazol-3-yl]phenoxy]methyl]pyridine?
The InChIKey is SQYFTBKDXCODEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18F2N4O/c23-9-13-28-14-19(16-7-11-25-12-8-16)22(27-28)17-3-5-18(6-4-17)29-15-21-20(24)2-1-10-26-21/h1-8,10-12,14H,9,13,15H2.
What are the key properties of 3-fluoro-2-[[4-[1-(2-fluoroethyl)-4-pyridin-4-ylpyrazol-3-yl]phenoxy]methyl]pyridine?
3-fluoro-2-[[4-[1-(2-fluoroethyl)-4-pyridin-4-ylpyrazol-3-yl]phenoxy]methyl]pyridine has a molecular weight of 392.41 g/mol, XLogP of 4.69, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-2-[[4-[1-(2-fluoroethyl)-4-pyridin-4-ylpyrazol-3-yl]phenoxy]methyl]pyridine is sourced from PubChem (CID 53466523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).