6-[[4-[1-(2-fluoroethyl)-4-pyridin-4-ylpyrazol-3-yl]phenoxy]methyl]pyridine-2-carbonitrile

C23H18FN5O — CID 53465401

IUPAC6-[[4-[1-(2-fluoroethyl)-4-pyridin-4-ylpyrazol-3-yl]phenoxy]methyl]pyridine-2-carbonitrile
SMILESN#Cc1cccc(COc2ccc(-c3nn(CCF)cc3-c3ccncc3)cc2)n1
InChIInChI=1S/C23H18FN5O/c24-10-13-29-15-22(17-8-11-26-12-9-17)23(28-29)18-4-6-21(7-5-18)30-16-20-3-1-2-19(14-25)27-20/h1-9,11-12,15H,10,13,16H2
InChIKeyVWNLCNQLVSUXGB-UHFFFAOYSA-N
MW399.43 g/mol
LogP4.43
Rot. Bonds7

About 6-[[4-[1-(2-fluoroethyl)-4-pyridin-4-ylpyrazol-3-yl]phenoxy]methyl]pyridine-2-carbonitrile

6-[[4-[1-(2-fluoroethyl)-4-pyridin-4-ylpyrazol-3-yl]phenoxy]methyl]pyridine-2-carbonitrile (PubChem CID 53465401) has the molecular formula C23H18FN5O and a molecular weight of 399.43 g/mol. Its IUPAC name is 6-[[4-[1-(2-fluoroethyl)-4-pyridin-4-ylpyrazol-3-yl]phenoxy]methyl]pyridine-2-carbonitrile.

Molecular Properties

Compound Name6-[[4-[1-(2-fluoroethyl)-4-pyridin-4-ylpyrazol-3-yl]phenoxy]methyl]pyridine-2-carbonitrile
PubChem CID53465401
Molecular FormulaC23H18FN5O
Molecular Weight399.43 g/mol
Exact Mass399.15
IUPAC Name6-[[4-[1-(2-fluoroethyl)-4-pyridin-4-ylpyrazol-3-yl]phenoxy]methyl]pyridine-2-carbonitrile
SMILESN#Cc1cccc(COc2ccc(-c3nn(CCF)cc3-c3ccncc3)cc2)n1
InChIInChI=1S/C23H18FN5O/c24-10-13-29-15-22(17-8-11-26-12-9-17)23(28-29)18-4-6-21(7-5-18)30-16-20-3-1-2-19(14-25)27-20/h1-9,11-12,15H,10,13,16H2
InChIKeyVWNLCNQLVSUXGB-UHFFFAOYSA-N
XLogP4.43
TPSA76.62 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.43
LogP ≤ 54.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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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 6-[[4-[1-(2-fluoroethyl)-4-pyridin-4-ylpyrazol-3-yl]phenoxy]methyl]pyridine-2-carbonitrile?
The IUPAC name of 6-[[4-[1-(2-fluoroethyl)-4-pyridin-4-ylpyrazol-3-yl]phenoxy]methyl]pyridine-2-carbonitrile (CID 53465401) is 6-[[4-[1-(2-fluoroethyl)-4-pyridin-4-ylpyrazol-3-yl]phenoxy]methyl]pyridine-2-carbonitrile.
What is the SMILES notation for 6-[[4-[1-(2-fluoroethyl)-4-pyridin-4-ylpyrazol-3-yl]phenoxy]methyl]pyridine-2-carbonitrile?
The canonical SMILES for 6-[[4-[1-(2-fluoroethyl)-4-pyridin-4-ylpyrazol-3-yl]phenoxy]methyl]pyridine-2-carbonitrile is N#Cc1cccc(COc2ccc(-c3nn(CCF)cc3-c3ccncc3)cc2)n1.
What is the InChIKey of 6-[[4-[1-(2-fluoroethyl)-4-pyridin-4-ylpyrazol-3-yl]phenoxy]methyl]pyridine-2-carbonitrile?
The InChIKey is VWNLCNQLVSUXGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18FN5O/c24-10-13-29-15-22(17-8-11-26-12-9-17)23(28-29)18-4-6-21(7-5-18)30-16-20-3-1-2-19(14-25)27-20/h1-9,11-12,15H,10,13,16H2.
What are the key properties of 6-[[4-[1-(2-fluoroethyl)-4-pyridin-4-ylpyrazol-3-yl]phenoxy]methyl]pyridine-2-carbonitrile?
6-[[4-[1-(2-fluoroethyl)-4-pyridin-4-ylpyrazol-3-yl]phenoxy]methyl]pyridine-2-carbonitrile has a molecular weight of 399.43 g/mol, XLogP of 4.43, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[4-[1-(2-fluoroethyl)-4-pyridin-4-ylpyrazol-3-yl]phenoxy]methyl]pyridine-2-carbonitrile is sourced from PubChem (CID 53465401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).