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

C25H23FN4O — CID 53466527

IUPAC5-cyclopropyl-2-[[4-[1-(2-fluoroethyl)-4-pyridin-4-ylpyrazol-3-yl]phenoxy]methyl]pyridine
SMILESFCCn1cc(-c2ccncc2)c(-c2ccc(OCc3ccc(C4CC4)cn3)cc2)n1
InChIInChI=1S/C25H23FN4O/c26-11-14-30-16-24(19-9-12-27-13-10-19)25(29-30)20-4-7-23(8-5-20)31-17-22-6-3-21(15-28-22)18-1-2-18/h3-10,12-13,15-16,18H,1-2,11,14,17H2
InChIKeyGOPZIRXQPBOORF-UHFFFAOYSA-N
MW414.48 g/mol
LogP5.43
Rot. Bonds8

About 5-cyclopropyl-2-[[4-[1-(2-fluoroethyl)-4-pyridin-4-ylpyrazol-3-yl]phenoxy]methyl]pyridine

5-cyclopropyl-2-[[4-[1-(2-fluoroethyl)-4-pyridin-4-ylpyrazol-3-yl]phenoxy]methyl]pyridine (PubChem CID 53466527) has the molecular formula C25H23FN4O and a molecular weight of 414.48 g/mol. Its IUPAC name is 5-cyclopropyl-2-[[4-[1-(2-fluoroethyl)-4-pyridin-4-ylpyrazol-3-yl]phenoxy]methyl]pyridine.

Molecular Properties

Compound Name5-cyclopropyl-2-[[4-[1-(2-fluoroethyl)-4-pyridin-4-ylpyrazol-3-yl]phenoxy]methyl]pyridine
PubChem CID53466527
Molecular FormulaC25H23FN4O
Molecular Weight414.48 g/mol
Exact Mass414.19
IUPAC Name5-cyclopropyl-2-[[4-[1-(2-fluoroethyl)-4-pyridin-4-ylpyrazol-3-yl]phenoxy]methyl]pyridine
SMILESFCCn1cc(-c2ccncc2)c(-c2ccc(OCc3ccc(C4CC4)cn3)cc2)n1
InChIInChI=1S/C25H23FN4O/c26-11-14-30-16-24(19-9-12-27-13-10-19)25(29-30)20-4-7-23(8-5-20)31-17-22-6-3-21(15-28-22)18-1-2-18/h3-10,12-13,15-16,18H,1-2,11,14,17H2
InChIKeyGOPZIRXQPBOORF-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

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Frequently Asked Questions

What is the IUPAC name of 5-cyclopropyl-2-[[4-[1-(2-fluoroethyl)-4-pyridin-4-ylpyrazol-3-yl]phenoxy]methyl]pyridine?
The IUPAC name of 5-cyclopropyl-2-[[4-[1-(2-fluoroethyl)-4-pyridin-4-ylpyrazol-3-yl]phenoxy]methyl]pyridine (CID 53466527) is 5-cyclopropyl-2-[[4-[1-(2-fluoroethyl)-4-pyridin-4-ylpyrazol-3-yl]phenoxy]methyl]pyridine.
What is the SMILES notation for 5-cyclopropyl-2-[[4-[1-(2-fluoroethyl)-4-pyridin-4-ylpyrazol-3-yl]phenoxy]methyl]pyridine?
The canonical SMILES for 5-cyclopropyl-2-[[4-[1-(2-fluoroethyl)-4-pyridin-4-ylpyrazol-3-yl]phenoxy]methyl]pyridine is FCCn1cc(-c2ccncc2)c(-c2ccc(OCc3ccc(C4CC4)cn3)cc2)n1.
What is the InChIKey of 5-cyclopropyl-2-[[4-[1-(2-fluoroethyl)-4-pyridin-4-ylpyrazol-3-yl]phenoxy]methyl]pyridine?
The InChIKey is GOPZIRXQPBOORF-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23FN4O/c26-11-14-30-16-24(19-9-12-27-13-10-19)25(29-30)20-4-7-23(8-5-20)31-17-22-6-3-21(15-28-22)18-1-2-18/h3-10,12-13,15-16,18H,1-2,11,14,17H2.
What are the key properties of 5-cyclopropyl-2-[[4-[1-(2-fluoroethyl)-4-pyridin-4-ylpyrazol-3-yl]phenoxy]methyl]pyridine?
5-cyclopropyl-2-[[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 5-cyclopropyl-2-[[4-[1-(2-fluoroethyl)-4-pyridin-4-ylpyrazol-3-yl]phenoxy]methyl]pyridine is sourced from PubChem (CID 53466527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).