5-[[4-[5-(4-fluorophenyl)-1H-pyrrol-3-yl]-2-methylphenoxy]methyl]-2-methylpyridine

C24H21FN2O — CID 58510088

IUPAC5-[[4-[5-(4-fluorophenyl)-1H-pyrrol-3-yl]-2-methylphenoxy]methyl]-2-methylpyridine
SMILESCc1ccc(COc2ccc(-c3c[nH]c(-c4ccc(F)cc4)c3)cc2C)cn1
InChIInChI=1S/C24H21FN2O/c1-16-11-20(7-10-24(16)28-15-18-4-3-17(2)26-13-18)21-12-23(27-14-21)19-5-8-22(25)9-6-19/h3-14,27H,15H2,1-2H3
InChIKeyZPWLKQLGCQJKFS-UHFFFAOYSA-N
MW372.44 g/mol
LogP6.08
Rot. Bonds5

About 5-[[4-[5-(4-fluorophenyl)-1H-pyrrol-3-yl]-2-methylphenoxy]methyl]-2-methylpyridine

5-[[4-[5-(4-fluorophenyl)-1H-pyrrol-3-yl]-2-methylphenoxy]methyl]-2-methylpyridine (PubChem CID 58510088) has the molecular formula C24H21FN2O and a molecular weight of 372.44 g/mol. Its IUPAC name is 5-[[4-[5-(4-fluorophenyl)-1H-pyrrol-3-yl]-2-methylphenoxy]methyl]-2-methylpyridine.

Molecular Properties

Compound Name5-[[4-[5-(4-fluorophenyl)-1H-pyrrol-3-yl]-2-methylphenoxy]methyl]-2-methylpyridine
PubChem CID58510088
Molecular FormulaC24H21FN2O
Molecular Weight372.44 g/mol
Exact Mass372.16
IUPAC Name5-[[4-[5-(4-fluorophenyl)-1H-pyrrol-3-yl]-2-methylphenoxy]methyl]-2-methylpyridine
SMILESCc1ccc(COc2ccc(-c3c[nH]c(-c4ccc(F)cc4)c3)cc2C)cn1
InChIInChI=1S/C24H21FN2O/c1-16-11-20(7-10-24(16)28-15-18-4-3-17(2)26-13-18)21-12-23(27-14-21)19-5-8-22(25)9-6-19/h3-14,27H,15H2,1-2H3
InChIKeyZPWLKQLGCQJKFS-UHFFFAOYSA-N
XLogP6.08
TPSA37.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500372.44
LogP ≤ 56.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5-[[4-[5-chloro-2-(3,3-difluorocyclobutyl)-1H-imidazol-4-yl]-2-methylphenoxy]methyl]-2-methylpyridine
CID 161033391
5-[[2-chloro-4-(2,4-difluorophenoxy)phenoxy]methyl]-2-methylpyridine
CID 19875991
ethane;1-[(4-fluorophenyl)methoxy]-2-methyl-4-(trifluoromethyl)benzene
CID 143034150
6-fluoro-2-(3-methyl-4-phenylmethoxyphenyl)imidazo[1,2-a]pyridine
CID 58191816
2-[4-[(4-fluorophenyl)methoxy]-3-methylphenyl]acetic acid
CID 82051629
1-[4-[(4-fluorophenyl)methoxy]-3-methylphenyl]ethanol
CID 82090144
2-methyl-4-(4-methylphenyl)-1-phenylmethoxybenzene
CID 142190093
2-fluoro-4-[4-[[4-[3-fluoro-4-(4-fluorophenyl)phenyl]-2-methylphenoxy]methoxy]-3-methylphenyl]-1-(4-fluorophenyl)benzene
CID 118260655
2-[4-[4-[(4-fluorophenyl)methoxy]-2-oxo-1H-pyridin-3-yl]-2-methylphenoxy]acetic acid
CID 71256501
5-[(2-methoxy-4-nitrophenoxy)methyl]-2-methylpyridine
CID 162519959
4-chloro-1-[4-[(4-fluorophenyl)methoxy]-3-methylphenyl]butan-1-one
CID 82051643
3-[(4-ethyl-2-methylphenoxy)methyl]pyridine
CID 176960080

Frequently Asked Questions

What is the IUPAC name of 5-[[4-[5-(4-fluorophenyl)-1H-pyrrol-3-yl]-2-methylphenoxy]methyl]-2-methylpyridine?
The IUPAC name of 5-[[4-[5-(4-fluorophenyl)-1H-pyrrol-3-yl]-2-methylphenoxy]methyl]-2-methylpyridine (CID 58510088) is 5-[[4-[5-(4-fluorophenyl)-1H-pyrrol-3-yl]-2-methylphenoxy]methyl]-2-methylpyridine.
What is the SMILES notation for 5-[[4-[5-(4-fluorophenyl)-1H-pyrrol-3-yl]-2-methylphenoxy]methyl]-2-methylpyridine?
The canonical SMILES for 5-[[4-[5-(4-fluorophenyl)-1H-pyrrol-3-yl]-2-methylphenoxy]methyl]-2-methylpyridine is Cc1ccc(COc2ccc(-c3c[nH]c(-c4ccc(F)cc4)c3)cc2C)cn1.
What is the InChIKey of 5-[[4-[5-(4-fluorophenyl)-1H-pyrrol-3-yl]-2-methylphenoxy]methyl]-2-methylpyridine?
The InChIKey is ZPWLKQLGCQJKFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21FN2O/c1-16-11-20(7-10-24(16)28-15-18-4-3-17(2)26-13-18)21-12-23(27-14-21)19-5-8-22(25)9-6-19/h3-14,27H,15H2,1-2H3.
What are the key properties of 5-[[4-[5-(4-fluorophenyl)-1H-pyrrol-3-yl]-2-methylphenoxy]methyl]-2-methylpyridine?
5-[[4-[5-(4-fluorophenyl)-1H-pyrrol-3-yl]-2-methylphenoxy]methyl]-2-methylpyridine has a molecular weight of 372.44 g/mol, XLogP of 6.08, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[4-[5-(4-fluorophenyl)-1H-pyrrol-3-yl]-2-methylphenoxy]methyl]-2-methylpyridine is sourced from PubChem (CID 58510088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).