4-[2-[4-(4-fluorophenyl)-1-methyl-3-pyridin-4-ylpyrrol-2-yl]ethyl]morpholine

C22H24FN3O — CID 141087260

IUPAC4-[2-[4-(4-fluorophenyl)-1-methyl-3-pyridin-4-ylpyrrol-2-yl]ethyl]morpholine
SMILESCn1cc(-c2ccc(F)cc2)c(-c2ccncc2)c1CCN1CCOCC1
InChIInChI=1S/C22H24FN3O/c1-25-16-20(17-2-4-19(23)5-3-17)22(18-6-9-24-10-7-18)21(25)8-11-26-12-14-27-15-13-26/h2-7,9-10,16H,8,11-15H2,1H3
InChIKeyIQJDHKJSDRMJRK-UHFFFAOYSA-N
MW365.45 g/mol
LogP3.77
Rot. Bonds5

About 4-[2-[4-(4-fluorophenyl)-1-methyl-3-pyridin-4-ylpyrrol-2-yl]ethyl]morpholine

4-[2-[4-(4-fluorophenyl)-1-methyl-3-pyridin-4-ylpyrrol-2-yl]ethyl]morpholine (PubChem CID 141087260) has the molecular formula C22H24FN3O and a molecular weight of 365.45 g/mol. Its IUPAC name is 4-[2-[4-(4-fluorophenyl)-1-methyl-3-pyridin-4-ylpyrrol-2-yl]ethyl]morpholine.

Molecular Properties

Compound Name4-[2-[4-(4-fluorophenyl)-1-methyl-3-pyridin-4-ylpyrrol-2-yl]ethyl]morpholine
PubChem CID141087260
Molecular FormulaC22H24FN3O
Molecular Weight365.45 g/mol
Exact Mass365.19
IUPAC Name4-[2-[4-(4-fluorophenyl)-1-methyl-3-pyridin-4-ylpyrrol-2-yl]ethyl]morpholine
SMILESCn1cc(-c2ccc(F)cc2)c(-c2ccncc2)c1CCN1CCOCC1
InChIInChI=1S/C22H24FN3O/c1-25-16-20(17-2-4-19(23)5-3-17)22(18-6-9-24-10-7-18)21(25)8-11-26-12-14-27-15-13-26/h2-7,9-10,16H,8,11-15H2,1H3
InChIKeyIQJDHKJSDRMJRK-UHFFFAOYSA-N
XLogP3.77
TPSA30.29 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.45
LogP ≤ 53.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-(2-(4-fluorophenyl)-5-(1-methylpiperidine-4-yl)-1H-pyrrol-3-yl)pyridine
CID 500899
SB-210313
CID 9885504
(2R)-1-[4-[5-(4-fluorophenyl)-4-pyridin-4-yl-1H-pyrrol-2-yl]piperidin-1-yl]-3-methoxypropan-2-ol
CID 9822780
4-[5-(1-Ethyl-piperidin-4-yl)-2-(4-fluoro-phenyl)-1H-pyrrol-3-yl]-pyridine
CID 15550445
4-[3-(4-fluorophenyl)-1-(1-methoxyethyl)-1H-pyrrolo[3,2-b]pyridin-2-yl]pyridine
CID 23647183
3-(4-Fluorophenyl)-1-hydroxyethyl-2-pyridin-4-yl-1H-pyrrolo[3,2-b]pyridine
CID 23647184
4-[2-(4-Fluoro-phenyl)-4-methyl-5-(1-methyl-piperidin-4-yl)-1H-pyrrol-3-yl]-pyridine
CID 44399291
3-{4-[5-(4-Fluoro-phenyl)-4-pyridin-4-yl-1H-pyrrol-2-yl]-piperidin-1-yl}-propan-1-ol
CID 44399626
2-{4-[5-(4-Fluoro-phenyl)-4-pyridin-4-yl-1H-pyrrol-2-yl]-piperidin-1-yl}-ethanol
CID 44399685
1-tert-Butoxy-3-{4-[5-(4-fluoro-phenyl)-4-pyridin-4-yl-1H-pyrrol-2-yl]-piperidin-1-yl}-propan-2-ol
CID 44404290
(S)-2-{4-[5-(4-Fluoro-phenyl)-4-pyridin-4-yl-1H-pyrrol-2-yl]-piperidin-1-yl}-butane-1,3-diol
CID 44404323
1-{4-[5-(4-Fluoro-phenyl)-4-pyridin-4-yl-1H-pyrrol-2-yl]-piperidin-1-yl}-butane-2,3-diol
CID 44404332

Frequently Asked Questions

What is the IUPAC name of 4-[2-[4-(4-fluorophenyl)-1-methyl-3-pyridin-4-ylpyrrol-2-yl]ethyl]morpholine?
The IUPAC name of 4-[2-[4-(4-fluorophenyl)-1-methyl-3-pyridin-4-ylpyrrol-2-yl]ethyl]morpholine (CID 141087260) is 4-[2-[4-(4-fluorophenyl)-1-methyl-3-pyridin-4-ylpyrrol-2-yl]ethyl]morpholine.
What is the SMILES notation for 4-[2-[4-(4-fluorophenyl)-1-methyl-3-pyridin-4-ylpyrrol-2-yl]ethyl]morpholine?
The canonical SMILES for 4-[2-[4-(4-fluorophenyl)-1-methyl-3-pyridin-4-ylpyrrol-2-yl]ethyl]morpholine is Cn1cc(-c2ccc(F)cc2)c(-c2ccncc2)c1CCN1CCOCC1.
What is the InChIKey of 4-[2-[4-(4-fluorophenyl)-1-methyl-3-pyridin-4-ylpyrrol-2-yl]ethyl]morpholine?
The InChIKey is IQJDHKJSDRMJRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24FN3O/c1-25-16-20(17-2-4-19(23)5-3-17)22(18-6-9-24-10-7-18)21(25)8-11-26-12-14-27-15-13-26/h2-7,9-10,16H,8,11-15H2,1H3.
What are the key properties of 4-[2-[4-(4-fluorophenyl)-1-methyl-3-pyridin-4-ylpyrrol-2-yl]ethyl]morpholine?
4-[2-[4-(4-fluorophenyl)-1-methyl-3-pyridin-4-ylpyrrol-2-yl]ethyl]morpholine has a molecular weight of 365.45 g/mol, XLogP of 3.77, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[4-(4-fluorophenyl)-1-methyl-3-pyridin-4-ylpyrrol-2-yl]ethyl]morpholine is sourced from PubChem (CID 141087260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).