3-[2-[6-[3-(2-fluorophenoxy)pyrrolidin-1-yl]-3-pyridinyl]ethynyl]phenol

C23H19FN2O2 — CID 68807009

IUPAC3-[2-[6-[3-(2-fluorophenoxy)pyrrolidin-1-yl]-3-pyridinyl]ethynyl]phenol
SMILESOc1cccc(C#Cc2ccc(N3CCC(Oc4ccccc4F)C3)nc2)c1
InChIInChI=1S/C23H19FN2O2/c24-21-6-1-2-7-22(21)28-20-12-13-26(16-20)23-11-10-18(15-25-23)9-8-17-4-3-5-19(27)14-17/h1-7,10-11,14-15,20,27H,12-13,16H2
InChIKeyWSBPFRVTGRDGMQ-UHFFFAOYSA-N
MW374.42 g/mol
LogP3.98
Rot. Bonds3

About 3-[2-[6-[3-(2-fluorophenoxy)pyrrolidin-1-yl]-3-pyridinyl]ethynyl]phenol

3-[2-[6-[3-(2-fluorophenoxy)pyrrolidin-1-yl]-3-pyridinyl]ethynyl]phenol (PubChem CID 68807009) has the molecular formula C23H19FN2O2 and a molecular weight of 374.42 g/mol. Its IUPAC name is 3-[2-[6-[3-(2-fluorophenoxy)pyrrolidin-1-yl]-3-pyridinyl]ethynyl]phenol.

Molecular Properties

Compound Name3-[2-[6-[3-(2-fluorophenoxy)pyrrolidin-1-yl]-3-pyridinyl]ethynyl]phenol
PubChem CID68807009
Molecular FormulaC23H19FN2O2
Molecular Weight374.42 g/mol
Exact Mass374.14
IUPAC Name3-[2-[6-[3-(2-fluorophenoxy)pyrrolidin-1-yl]-3-pyridinyl]ethynyl]phenol
SMILESOc1cccc(C#Cc2ccc(N3CCC(Oc4ccccc4F)C3)nc2)c1
InChIInChI=1S/C23H19FN2O2/c24-21-6-1-2-7-22(21)28-20-12-13-26(16-20)23-11-10-18(15-25-23)9-8-17-4-3-5-19(27)14-17/h1-7,10-11,14-15,20,27H,12-13,16H2
InChIKeyWSBPFRVTGRDGMQ-UHFFFAOYSA-N
XLogP3.98
TPSA45.59 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.42
LogP ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

Analyze 3-[2-[6-[3-(2-fluorophenoxy)pyrrolidin-1-yl]-3-pyridinyl]ethynyl]phenol with MolForge

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

Launch Full Analysis

Related Compounds

(5S)-3-[6-[3-(2-fluorophenoxy)pyrrolidin-1-yl]-3-pyridinyl]-5-(hydroxymethyl)-1,3-oxazolidin-2-one
CID 143639048
[6-[3-(2-fluorophenoxy)pyrrolidin-1-yl]-3-pyridinyl] N-benzylcarbamate
CID 90928713
2-[2-fluoro-4-[2-[6-[4-(2-fluorophenoxy)piperidin-1-yl]pyridazin-3-yl]ethynyl]phenyl]acetic acid
CID 90975594
6-[3-(3-chlorophenoxy)pyrrolidin-1-yl]pyridine-3-carbonitrile
CID 133406496
6-[4-(2-chlorophenoxy)piperidin-1-yl]pyridine-3-carbonitrile
CID 133391014
6-[3-(5-methylpyrimidin-2-yl)oxypyrrolidin-1-yl]pyridine-3-carbonitrile
CID 171701989
3-[6-[4-(2-fluorophenoxy)piperidin-1-yl]-3-pyridinyl]-1,3-oxazolidin-2-one
CID 143639052
2-(2-fluorophenoxy)ethyl 1-(5-cyano-2-pyridinyl)piperidine-4-carboxylate
CID 30124902
5-fluoro-2-[1-[6-(2-fluorophenoxy)pyrimidin-4-yl]piperidin-4-yl]oxypyrimidin-4-amine
CID 46879755
6-[4-(3,4-difluorophenoxy)piperidin-1-yl]pyridine-3-carbonitrile
CID 154778818
6-[4-(2-fluorophenoxy)piperidin-1-yl]-N,N-dimethylpyridine-2-carboxamide
CID 131933454
1-(5-bromo-2-pyridinyl)piperidin-4-ol;5-bromo-2-[4-[2-(trifluoromethyl)phenoxy]piperidin-1-yl]pyridine;1-fluoro-2-(trifluoromethyl)benzene
CID 158018417

Frequently Asked Questions

What is the IUPAC name of 3-[2-[6-[3-(2-fluorophenoxy)pyrrolidin-1-yl]-3-pyridinyl]ethynyl]phenol?
The IUPAC name of 3-[2-[6-[3-(2-fluorophenoxy)pyrrolidin-1-yl]-3-pyridinyl]ethynyl]phenol (CID 68807009) is 3-[2-[6-[3-(2-fluorophenoxy)pyrrolidin-1-yl]-3-pyridinyl]ethynyl]phenol.
What is the SMILES notation for 3-[2-[6-[3-(2-fluorophenoxy)pyrrolidin-1-yl]-3-pyridinyl]ethynyl]phenol?
The canonical SMILES for 3-[2-[6-[3-(2-fluorophenoxy)pyrrolidin-1-yl]-3-pyridinyl]ethynyl]phenol is Oc1cccc(C#Cc2ccc(N3CCC(Oc4ccccc4F)C3)nc2)c1.
What is the InChIKey of 3-[2-[6-[3-(2-fluorophenoxy)pyrrolidin-1-yl]-3-pyridinyl]ethynyl]phenol?
The InChIKey is WSBPFRVTGRDGMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19FN2O2/c24-21-6-1-2-7-22(21)28-20-12-13-26(16-20)23-11-10-18(15-25-23)9-8-17-4-3-5-19(27)14-17/h1-7,10-11,14-15,20,27H,12-13,16H2.
What are the key properties of 3-[2-[6-[3-(2-fluorophenoxy)pyrrolidin-1-yl]-3-pyridinyl]ethynyl]phenol?
3-[2-[6-[3-(2-fluorophenoxy)pyrrolidin-1-yl]-3-pyridinyl]ethynyl]phenol has a molecular weight of 374.42 g/mol, XLogP of 3.98, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[6-[3-(2-fluorophenoxy)pyrrolidin-1-yl]-3-pyridinyl]ethynyl]phenol is sourced from PubChem (CID 68807009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).