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

C25H23FN4O — CID 53466456

IUPAC2-cyclopropyl-6-[[4-[1-(2-fluoroethyl)-4-pyridin-4-ylpyrazol-3-yl]phenoxy]methyl]pyridine
SMILESFCCn1cc(-c2ccncc2)c(-c2ccc(OCc3cccc(C4CC4)n3)cc2)n1
InChIInChI=1S/C25H23FN4O/c26-12-15-30-16-23(18-10-13-27-14-11-18)25(29-30)20-6-8-22(9-7-20)31-17-21-2-1-3-24(28-21)19-4-5-19/h1-3,6-11,13-14,16,19H,4-5,12,15,17H2
InChIKeyLQXFYXGYPVHEKJ-UHFFFAOYSA-N
MW414.48 g/mol
LogP5.43
Rot. Bonds8

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

2-cyclopropyl-6-[[4-[1-(2-fluoroethyl)-4-pyridin-4-ylpyrazol-3-yl]phenoxy]methyl]pyridine (PubChem CID 53466456) has the molecular formula C25H23FN4O and a molecular weight of 414.48 g/mol. Its IUPAC name is 2-cyclopropyl-6-[[4-[1-(2-fluoroethyl)-4-pyridin-4-ylpyrazol-3-yl]phenoxy]methyl]pyridine.

Molecular Properties

Compound Name2-cyclopropyl-6-[[4-[1-(2-fluoroethyl)-4-pyridin-4-ylpyrazol-3-yl]phenoxy]methyl]pyridine
PubChem CID53466456
Molecular FormulaC25H23FN4O
Molecular Weight414.48 g/mol
Exact Mass414.19
IUPAC Name2-cyclopropyl-6-[[4-[1-(2-fluoroethyl)-4-pyridin-4-ylpyrazol-3-yl]phenoxy]methyl]pyridine
SMILESFCCn1cc(-c2ccncc2)c(-c2ccc(OCc3cccc(C4CC4)n3)cc2)n1
InChIInChI=1S/C25H23FN4O/c26-12-15-30-16-23(18-10-13-27-14-11-18)25(29-30)20-6-8-22(9-7-20)31-17-21-2-1-3-24(28-21)19-4-5-19/h1-3,6-11,13-14,16,19H,4-5,12,15,17H2
InChIKeyLQXFYXGYPVHEKJ-UHFFFAOYSA-N
XLogP5.43
TPSA52.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500414.48
LogP ≤ 55.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 2-cyclopropyl-6-[[4-[1-(2-fluoroethyl)-4-pyridin-4-ylpyrazol-3-yl]phenoxy]methyl]pyridine 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 2-cyclopropyl-6-[[4-[1-(2-fluoroethyl)-4-pyridin-4-ylpyrazol-3-yl]phenoxy]methyl]pyridine?
The IUPAC name of 2-cyclopropyl-6-[[4-[1-(2-fluoroethyl)-4-pyridin-4-ylpyrazol-3-yl]phenoxy]methyl]pyridine (CID 53466456) is 2-cyclopropyl-6-[[4-[1-(2-fluoroethyl)-4-pyridin-4-ylpyrazol-3-yl]phenoxy]methyl]pyridine.
What is the SMILES notation for 2-cyclopropyl-6-[[4-[1-(2-fluoroethyl)-4-pyridin-4-ylpyrazol-3-yl]phenoxy]methyl]pyridine?
The canonical SMILES for 2-cyclopropyl-6-[[4-[1-(2-fluoroethyl)-4-pyridin-4-ylpyrazol-3-yl]phenoxy]methyl]pyridine is FCCn1cc(-c2ccncc2)c(-c2ccc(OCc3cccc(C4CC4)n3)cc2)n1.
What is the InChIKey of 2-cyclopropyl-6-[[4-[1-(2-fluoroethyl)-4-pyridin-4-ylpyrazol-3-yl]phenoxy]methyl]pyridine?
The InChIKey is LQXFYXGYPVHEKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23FN4O/c26-12-15-30-16-23(18-10-13-27-14-11-18)25(29-30)20-6-8-22(9-7-20)31-17-21-2-1-3-24(28-21)19-4-5-19/h1-3,6-11,13-14,16,19H,4-5,12,15,17H2.
What are the key properties of 2-cyclopropyl-6-[[4-[1-(2-fluoroethyl)-4-pyridin-4-ylpyrazol-3-yl]phenoxy]methyl]pyridine?
2-cyclopropyl-6-[[4-[1-(2-fluoroethyl)-4-pyridin-4-ylpyrazol-3-yl]phenoxy]methyl]pyridine has a molecular weight of 414.48 g/mol, XLogP of 5.43, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-6-[[4-[1-(2-fluoroethyl)-4-pyridin-4-ylpyrazol-3-yl]phenoxy]methyl]pyridine is sourced from PubChem (CID 53466456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).