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

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

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).