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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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).