3-(4-fluorophenoxy)-5-[(2S)-1-[(1R)-1-(4-methoxyphenyl)ethyl]pyrrolidin-2-yl]pyridine

C24H25FN2O2 — CID 58191785

IUPAC3-(4-fluorophenoxy)-5-[(2S)-1-[(1R)-1-(4-methoxyphenyl)ethyl]pyrrolidin-2-yl]pyridine
SMILESCOc1ccc([C@@H](C)N2CCC[C@H]2c2cncc(Oc3ccc(F)cc3)c2)cc1
InChIInChI=1S/C24H25FN2O2/c1-17(18-5-9-21(28-2)10-6-18)27-13-3-4-24(27)19-14-23(16-26-15-19)29-22-11-7-20(25)8-12-22/h5-12,14-17,24H,3-4,13H2,1-2H3/t17-,24+/m1/s1
InChIKeyNPGXQSGRDUHJSR-OSPHWJPCSA-N
MW392.47 g/mol
LogP5.92
Rot. Bonds6

About 3-(4-fluorophenoxy)-5-[(2S)-1-[(1R)-1-(4-methoxyphenyl)ethyl]pyrrolidin-2-yl]pyridine

3-(4-fluorophenoxy)-5-[(2S)-1-[(1R)-1-(4-methoxyphenyl)ethyl]pyrrolidin-2-yl]pyridine (PubChem CID 58191785) has the molecular formula C24H25FN2O2 and a molecular weight of 392.47 g/mol. Its IUPAC name is 3-(4-fluorophenoxy)-5-[(2S)-1-[(1R)-1-(4-methoxyphenyl)ethyl]pyrrolidin-2-yl]pyridine.

Molecular Properties

Compound Name3-(4-fluorophenoxy)-5-[(2S)-1-[(1R)-1-(4-methoxyphenyl)ethyl]pyrrolidin-2-yl]pyridine
PubChem CID58191785
Molecular FormulaC24H25FN2O2
Molecular Weight392.47 g/mol
Exact Mass392.19
IUPAC Name3-(4-fluorophenoxy)-5-[(2S)-1-[(1R)-1-(4-methoxyphenyl)ethyl]pyrrolidin-2-yl]pyridine
SMILESCOc1ccc([C@@H](C)N2CCC[C@H]2c2cncc(Oc3ccc(F)cc3)c2)cc1
InChIInChI=1S/C24H25FN2O2/c1-17(18-5-9-21(28-2)10-6-18)27-13-3-4-24(27)19-14-23(16-26-15-19)29-22-11-7-20(25)8-12-22/h5-12,14-17,24H,3-4,13H2,1-2H3/t17-,24+/m1/s1
InChIKeyNPGXQSGRDUHJSR-OSPHWJPCSA-N
XLogP5.92
TPSA34.59 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500392.47
LogP ≤ 55.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(4-fluorophenoxy)-5-[(2S)-1-[(1R)-1-(4-methoxyphenyl)ethyl]pyrrolidin-2-yl]pyridine?
The IUPAC name of 3-(4-fluorophenoxy)-5-[(2S)-1-[(1R)-1-(4-methoxyphenyl)ethyl]pyrrolidin-2-yl]pyridine (CID 58191785) is 3-(4-fluorophenoxy)-5-[(2S)-1-[(1R)-1-(4-methoxyphenyl)ethyl]pyrrolidin-2-yl]pyridine.
What is the SMILES notation for 3-(4-fluorophenoxy)-5-[(2S)-1-[(1R)-1-(4-methoxyphenyl)ethyl]pyrrolidin-2-yl]pyridine?
The canonical SMILES for 3-(4-fluorophenoxy)-5-[(2S)-1-[(1R)-1-(4-methoxyphenyl)ethyl]pyrrolidin-2-yl]pyridine is COc1ccc([C@@H](C)N2CCC[C@H]2c2cncc(Oc3ccc(F)cc3)c2)cc1.
What is the InChIKey of 3-(4-fluorophenoxy)-5-[(2S)-1-[(1R)-1-(4-methoxyphenyl)ethyl]pyrrolidin-2-yl]pyridine?
The InChIKey is NPGXQSGRDUHJSR-OSPHWJPCSA-N. The full InChI is InChI=1S/C24H25FN2O2/c1-17(18-5-9-21(28-2)10-6-18)27-13-3-4-24(27)19-14-23(16-26-15-19)29-22-11-7-20(25)8-12-22/h5-12,14-17,24H,3-4,13H2,1-2H3/t17-,24+/m1/s1.
What are the key properties of 3-(4-fluorophenoxy)-5-[(2S)-1-[(1R)-1-(4-methoxyphenyl)ethyl]pyrrolidin-2-yl]pyridine?
3-(4-fluorophenoxy)-5-[(2S)-1-[(1R)-1-(4-methoxyphenyl)ethyl]pyrrolidin-2-yl]pyridine has a molecular weight of 392.47 g/mol, XLogP of 5.92, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-fluorophenoxy)-5-[(2S)-1-[(1R)-1-(4-methoxyphenyl)ethyl]pyrrolidin-2-yl]pyridine is sourced from PubChem (CID 58191785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).