4-[3-[3-[(6-fluoro-2-pyridinyl)oxymethyl]phenyl]pyrazolidin-4-yl]oxybenzonitrile

C22H19FN4O2 — CID 139208418

IUPAC4-[3-[3-[(6-fluoro-2-pyridinyl)oxymethyl]phenyl]pyrazolidin-4-yl]oxybenzonitrile
SMILESN#Cc1ccc(OC2CNNC2c2cccc(COc3cccc(F)n3)c2)cc1
InChIInChI=1S/C22H19FN4O2/c23-20-5-2-6-21(26-20)28-14-16-3-1-4-17(11-16)22-19(13-25-27-22)29-18-9-7-15(12-24)8-10-18/h1-11,19,22,25,27H,13-14H2
InChIKeyRSLRMTVOBJYSCQ-UHFFFAOYSA-N
MW390.42 g/mol
LogP3.27
Rot. Bonds6

About 4-[3-[3-[(6-fluoro-2-pyridinyl)oxymethyl]phenyl]pyrazolidin-4-yl]oxybenzonitrile

4-[3-[3-[(6-fluoro-2-pyridinyl)oxymethyl]phenyl]pyrazolidin-4-yl]oxybenzonitrile (PubChem CID 139208418) has the molecular formula C22H19FN4O2 and a molecular weight of 390.42 g/mol. Its IUPAC name is 4-[3-[3-[(6-fluoro-2-pyridinyl)oxymethyl]phenyl]pyrazolidin-4-yl]oxybenzonitrile.

Molecular Properties

Compound Name4-[3-[3-[(6-fluoro-2-pyridinyl)oxymethyl]phenyl]pyrazolidin-4-yl]oxybenzonitrile
PubChem CID139208418
Molecular FormulaC22H19FN4O2
Molecular Weight390.42 g/mol
Exact Mass390.15
IUPAC Name4-[3-[3-[(6-fluoro-2-pyridinyl)oxymethyl]phenyl]pyrazolidin-4-yl]oxybenzonitrile
SMILESN#Cc1ccc(OC2CNNC2c2cccc(COc3cccc(F)n3)c2)cc1
InChIInChI=1S/C22H19FN4O2/c23-20-5-2-6-21(26-20)28-14-16-3-1-4-17(11-16)22-19(13-25-27-22)29-18-9-7-15(12-24)8-10-18/h1-11,19,22,25,27H,13-14H2
InChIKeyRSLRMTVOBJYSCQ-UHFFFAOYSA-N
XLogP3.27
TPSA79.20 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.42
LogP ≤ 53.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Analyze 4-[3-[3-[(6-fluoro-2-pyridinyl)oxymethyl]phenyl]pyrazolidin-4-yl]oxybenzonitrile 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 4-[3-[3-[(6-fluoro-2-pyridinyl)oxymethyl]phenyl]pyrazolidin-4-yl]oxybenzonitrile?
The IUPAC name of 4-[3-[3-[(6-fluoro-2-pyridinyl)oxymethyl]phenyl]pyrazolidin-4-yl]oxybenzonitrile (CID 139208418) is 4-[3-[3-[(6-fluoro-2-pyridinyl)oxymethyl]phenyl]pyrazolidin-4-yl]oxybenzonitrile.
What is the SMILES notation for 4-[3-[3-[(6-fluoro-2-pyridinyl)oxymethyl]phenyl]pyrazolidin-4-yl]oxybenzonitrile?
The canonical SMILES for 4-[3-[3-[(6-fluoro-2-pyridinyl)oxymethyl]phenyl]pyrazolidin-4-yl]oxybenzonitrile is N#Cc1ccc(OC2CNNC2c2cccc(COc3cccc(F)n3)c2)cc1.
What is the InChIKey of 4-[3-[3-[(6-fluoro-2-pyridinyl)oxymethyl]phenyl]pyrazolidin-4-yl]oxybenzonitrile?
The InChIKey is RSLRMTVOBJYSCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19FN4O2/c23-20-5-2-6-21(26-20)28-14-16-3-1-4-17(11-16)22-19(13-25-27-22)29-18-9-7-15(12-24)8-10-18/h1-11,19,22,25,27H,13-14H2.
What are the key properties of 4-[3-[3-[(6-fluoro-2-pyridinyl)oxymethyl]phenyl]pyrazolidin-4-yl]oxybenzonitrile?
4-[3-[3-[(6-fluoro-2-pyridinyl)oxymethyl]phenyl]pyrazolidin-4-yl]oxybenzonitrile has a molecular weight of 390.42 g/mol, XLogP of 3.27, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-[3-[(6-fluoro-2-pyridinyl)oxymethyl]phenyl]pyrazolidin-4-yl]oxybenzonitrile is sourced from PubChem (CID 139208418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).