3-[4-[[1-(6-ethyl-3-pyridinyl)-3-(trifluoromethyl)pyrrol-2-yl]methoxy]-3,5-difluorophenyl]propan-1-ol

C22H21F5N2O2 — CID 90407325

IUPAC3-[4-[[1-(6-ethyl-3-pyridinyl)-3-(trifluoromethyl)pyrrol-2-yl]methoxy]-3,5-difluorophenyl]propan-1-ol
SMILESCCc1ccc(-n2ccc(C(F)(F)F)c2COc2c(F)cc(CCCO)cc2F)cn1
InChIInChI=1S/C22H21F5N2O2/c1-2-15-5-6-16(12-28-15)29-8-7-17(22(25,26)27)20(29)13-31-21-18(23)10-14(4-3-9-30)11-19(21)24/h5-8,10-12,30H,2-4,9,13H2,1H3
InChIKeyFISDZQDBQRCNSX-UHFFFAOYSA-N
MW440.41 g/mol
LogP5.24
Rot. Bonds8

About 3-[4-[[1-(6-ethyl-3-pyridinyl)-3-(trifluoromethyl)pyrrol-2-yl]methoxy]-3,5-difluorophenyl]propan-1-ol

3-[4-[[1-(6-ethyl-3-pyridinyl)-3-(trifluoromethyl)pyrrol-2-yl]methoxy]-3,5-difluorophenyl]propan-1-ol (PubChem CID 90407325) has the molecular formula C22H21F5N2O2 and a molecular weight of 440.41 g/mol. Its IUPAC name is 3-[4-[[1-(6-ethyl-3-pyridinyl)-3-(trifluoromethyl)pyrrol-2-yl]methoxy]-3,5-difluorophenyl]propan-1-ol.

Molecular Properties

Compound Name3-[4-[[1-(6-ethyl-3-pyridinyl)-3-(trifluoromethyl)pyrrol-2-yl]methoxy]-3,5-difluorophenyl]propan-1-ol
PubChem CID90407325
Molecular FormulaC22H21F5N2O2
Molecular Weight440.41 g/mol
Exact Mass440.15
IUPAC Name3-[4-[[1-(6-ethyl-3-pyridinyl)-3-(trifluoromethyl)pyrrol-2-yl]methoxy]-3,5-difluorophenyl]propan-1-ol
SMILESCCc1ccc(-n2ccc(C(F)(F)F)c2COc2c(F)cc(CCCO)cc2F)cn1
InChIInChI=1S/C22H21F5N2O2/c1-2-15-5-6-16(12-28-15)29-8-7-17(22(25,26)27)20(29)13-31-21-18(23)10-14(4-3-9-30)11-19(21)24/h5-8,10-12,30H,2-4,9,13H2,1H3
InChIKeyFISDZQDBQRCNSX-UHFFFAOYSA-N
XLogP5.24
TPSA47.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500440.41
LogP ≤ 55.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-[4-[[1-(6-ethyl-3-pyridinyl)-3-(trifluoromethyl)pyrrol-2-yl]methoxy]-3,5-difluorophenyl]propan-1-ol 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

3-[4-[[1-(6-ethyl-3-pyridinyl)-3-(trifluoromethyl)pyrrol-2-yl]methoxy]-3,5-difluorophenyl]propanoic acid
CID 90406893
3-[4-[[1-(4-bromophenyl)-3-(trifluoromethyl)pyrrol-2-yl]methoxy]-3,5-difluorophenyl]propan-1-ol
CID 90405673
ethyl 3-[4-[[1-(4-chlorophenyl)-3-(trifluoromethyl)pyrrol-2-yl]methoxy]-3,5-difluorophenyl]propanoate
CID 90405892
3-[4-[[3-(4-ethylphenyl)-5-fluorothiophen-2-yl]methoxy]-3,5-difluorophenyl]propan-1-ol
CID 85473365
3-[4-[[1-(4-fluorophenyl)-3-(trifluoromethyl)pyrrol-2-yl]methoxy]-3-methylphenyl]propanoic acid
CID 86343964
3-[4-[[3-(4-chlorophenyl)-5-(trifluoromethyl)-1,2-thiazol-4-yl]methoxy]-3,5-difluorophenyl]propan-1-ol
CID 85472360
2-[4-[[1-(4-chloro-2-fluorophenyl)-3-(trifluoromethyl)pyrrol-2-yl]methoxy]-2,3-dimethylphenyl]propanoic acid;3-[3,5-difluoro-4-[[1-(2-fluoro-4-methylphenyl)-3-(trifluoromethyl)pyrrol-2-yl]methoxy]phenyl]propanoic acid;2-[4-[[1-(2-fluoro-4-methylphenyl)-3-(trifluoromethyl)pyrrol-2-yl]methoxy]-2,3-dimethylphenyl]propanoic acid
CID 118356602
2-[4-[4-chloro-3-(trifluoromethyl)phenoxy]-3,5-difluorophenyl]ethanol;ethane
CID 145108455
[4-[(1-ethylimidazol-2-yl)methoxy]-3,5-difluorophenyl]methanol
CID 79888570
3-[3-chloro-4-methoxy-5-(trifluoromethyl)phenyl]propan-1-ol
CID 117425053
3-(4-ethyl-3-fluoro-5-methoxyphenyl)propan-1-ol
CID 117303122
2-[2-[6-[2-[3,5-difluoro-4-(2,2,2-trifluoroethoxy)phenyl]ethyl]-5-fluoronaphthalen-2-yl]ethyl]-5-propylpyridine
CID 139873534

Frequently Asked Questions

What is the IUPAC name of 3-[4-[[1-(6-ethyl-3-pyridinyl)-3-(trifluoromethyl)pyrrol-2-yl]methoxy]-3,5-difluorophenyl]propan-1-ol?
The IUPAC name of 3-[4-[[1-(6-ethyl-3-pyridinyl)-3-(trifluoromethyl)pyrrol-2-yl]methoxy]-3,5-difluorophenyl]propan-1-ol (CID 90407325) is 3-[4-[[1-(6-ethyl-3-pyridinyl)-3-(trifluoromethyl)pyrrol-2-yl]methoxy]-3,5-difluorophenyl]propan-1-ol.
What is the SMILES notation for 3-[4-[[1-(6-ethyl-3-pyridinyl)-3-(trifluoromethyl)pyrrol-2-yl]methoxy]-3,5-difluorophenyl]propan-1-ol?
The canonical SMILES for 3-[4-[[1-(6-ethyl-3-pyridinyl)-3-(trifluoromethyl)pyrrol-2-yl]methoxy]-3,5-difluorophenyl]propan-1-ol is CCc1ccc(-n2ccc(C(F)(F)F)c2COc2c(F)cc(CCCO)cc2F)cn1.
What is the InChIKey of 3-[4-[[1-(6-ethyl-3-pyridinyl)-3-(trifluoromethyl)pyrrol-2-yl]methoxy]-3,5-difluorophenyl]propan-1-ol?
The InChIKey is FISDZQDBQRCNSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21F5N2O2/c1-2-15-5-6-16(12-28-15)29-8-7-17(22(25,26)27)20(29)13-31-21-18(23)10-14(4-3-9-30)11-19(21)24/h5-8,10-12,30H,2-4,9,13H2,1H3.
What are the key properties of 3-[4-[[1-(6-ethyl-3-pyridinyl)-3-(trifluoromethyl)pyrrol-2-yl]methoxy]-3,5-difluorophenyl]propan-1-ol?
3-[4-[[1-(6-ethyl-3-pyridinyl)-3-(trifluoromethyl)pyrrol-2-yl]methoxy]-3,5-difluorophenyl]propan-1-ol has a molecular weight of 440.41 g/mol, XLogP of 5.24, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[[1-(6-ethyl-3-pyridinyl)-3-(trifluoromethyl)pyrrol-2-yl]methoxy]-3,5-difluorophenyl]propan-1-ol is sourced from PubChem (CID 90407325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).