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

C23H26FN3O — CID 141087259

IUPAC4-[3-[4-(4-fluorophenyl)-1-methyl-3-pyridin-4-ylpyrrol-2-yl]propyl]morpholine
SMILESCn1cc(-c2ccc(F)cc2)c(-c2ccncc2)c1CCCN1CCOCC1
InChIInChI=1S/C23H26FN3O/c1-26-17-21(18-4-6-20(24)7-5-18)23(19-8-10-25-11-9-19)22(26)3-2-12-27-13-15-28-16-14-27/h4-11,17H,2-3,12-16H2,1H3
InChIKeyHBSINKWDGYEGIC-UHFFFAOYSA-N
MW379.48 g/mol
LogP4.16
Rot. Bonds6

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

4-[3-[4-(4-fluorophenyl)-1-methyl-3-pyridin-4-ylpyrrol-2-yl]propyl]morpholine (PubChem CID 141087259) has the molecular formula C23H26FN3O and a molecular weight of 379.48 g/mol. Its IUPAC name is 4-[3-[4-(4-fluorophenyl)-1-methyl-3-pyridin-4-ylpyrrol-2-yl]propyl]morpholine.

Molecular Properties

Compound Name4-[3-[4-(4-fluorophenyl)-1-methyl-3-pyridin-4-ylpyrrol-2-yl]propyl]morpholine
PubChem CID141087259
Molecular FormulaC23H26FN3O
Molecular Weight379.48 g/mol
Exact Mass379.21
IUPAC Name4-[3-[4-(4-fluorophenyl)-1-methyl-3-pyridin-4-ylpyrrol-2-yl]propyl]morpholine
SMILESCn1cc(-c2ccc(F)cc2)c(-c2ccncc2)c1CCCN1CCOCC1
InChIInChI=1S/C23H26FN3O/c1-26-17-21(18-4-6-20(24)7-5-18)23(19-8-10-25-11-9-19)22(26)3-2-12-27-13-15-28-16-14-27/h4-11,17H,2-3,12-16H2,1H3
InChIKeyHBSINKWDGYEGIC-UHFFFAOYSA-N
XLogP4.16
TPSA30.29 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.48
LogP ≤ 54.16
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
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
1-{4-[5-(4-Fluoro-phenyl)-4-pyridin-4-yl-1H-pyrrol-2-yl]-piperidin-1-yl}-propan-2-one
CID 44399643
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-[3-[4-(4-fluorophenyl)-1-methyl-3-pyridin-4-ylpyrrol-2-yl]propyl]morpholine?
The IUPAC name of 4-[3-[4-(4-fluorophenyl)-1-methyl-3-pyridin-4-ylpyrrol-2-yl]propyl]morpholine (CID 141087259) is 4-[3-[4-(4-fluorophenyl)-1-methyl-3-pyridin-4-ylpyrrol-2-yl]propyl]morpholine.
What is the SMILES notation for 4-[3-[4-(4-fluorophenyl)-1-methyl-3-pyridin-4-ylpyrrol-2-yl]propyl]morpholine?
The canonical SMILES for 4-[3-[4-(4-fluorophenyl)-1-methyl-3-pyridin-4-ylpyrrol-2-yl]propyl]morpholine is Cn1cc(-c2ccc(F)cc2)c(-c2ccncc2)c1CCCN1CCOCC1.
What is the InChIKey of 4-[3-[4-(4-fluorophenyl)-1-methyl-3-pyridin-4-ylpyrrol-2-yl]propyl]morpholine?
The InChIKey is HBSINKWDGYEGIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26FN3O/c1-26-17-21(18-4-6-20(24)7-5-18)23(19-8-10-25-11-9-19)22(26)3-2-12-27-13-15-28-16-14-27/h4-11,17H,2-3,12-16H2,1H3.
What are the key properties of 4-[3-[4-(4-fluorophenyl)-1-methyl-3-pyridin-4-ylpyrrol-2-yl]propyl]morpholine?
4-[3-[4-(4-fluorophenyl)-1-methyl-3-pyridin-4-ylpyrrol-2-yl]propyl]morpholine has a molecular weight of 379.48 g/mol, XLogP of 4.16, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-[4-(4-fluorophenyl)-1-methyl-3-pyridin-4-ylpyrrol-2-yl]propyl]morpholine is sourced from PubChem (CID 141087259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).