4-(3-ethoxyphenyl)-1-[2-[4-(trifluoromethoxy)phenoxy]ethyl]pyrrolo[3,2-c]pyridine

C24H21F3N2O3 — CID 71212575

IUPAC4-(3-ethoxyphenyl)-1-[2-[4-(trifluoromethoxy)phenoxy]ethyl]pyrrolo[3,2-c]pyridine
SMILESCCOc1cccc(-c2nccc3c2ccn3CCOc2ccc(OC(F)(F)F)cc2)c1
InChIInChI=1S/C24H21F3N2O3/c1-2-30-20-5-3-4-17(16-20)23-21-11-13-29(22(21)10-12-28-23)14-15-31-18-6-8-19(9-7-18)32-24(25,26)27/h3-13,16H,2,14-15H2,1H3
InChIKeyOGGKPOIHOHKSNE-UHFFFAOYSA-N
MW442.44 g/mol
LogP6.08
Rot. Bonds8

About 4-(3-ethoxyphenyl)-1-[2-[4-(trifluoromethoxy)phenoxy]ethyl]pyrrolo[3,2-c]pyridine

4-(3-ethoxyphenyl)-1-[2-[4-(trifluoromethoxy)phenoxy]ethyl]pyrrolo[3,2-c]pyridine (PubChem CID 71212575) has the molecular formula C24H21F3N2O3 and a molecular weight of 442.44 g/mol. Its IUPAC name is 4-(3-ethoxyphenyl)-1-[2-[4-(trifluoromethoxy)phenoxy]ethyl]pyrrolo[3,2-c]pyridine.

Molecular Properties

Compound Name4-(3-ethoxyphenyl)-1-[2-[4-(trifluoromethoxy)phenoxy]ethyl]pyrrolo[3,2-c]pyridine
PubChem CID71212575
Molecular FormulaC24H21F3N2O3
Molecular Weight442.44 g/mol
Exact Mass442.15
IUPAC Name4-(3-ethoxyphenyl)-1-[2-[4-(trifluoromethoxy)phenoxy]ethyl]pyrrolo[3,2-c]pyridine
SMILESCCOc1cccc(-c2nccc3c2ccn3CCOc2ccc(OC(F)(F)F)cc2)c1
InChIInChI=1S/C24H21F3N2O3/c1-2-30-20-5-3-4-17(16-20)23-21-11-13-29(22(21)10-12-28-23)14-15-31-18-6-8-19(9-7-18)32-24(25,26)27/h3-13,16H,2,14-15H2,1H3
InChIKeyOGGKPOIHOHKSNE-UHFFFAOYSA-N
XLogP6.08
TPSA45.51 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500442.44
LogP ≤ 56.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

4-(3-ethoxyphenyl)-1-[2-[4-(2,2,2-trifluoroethoxy)phenoxy]ethyl]pyrrolo[3,2-c]pyridine-2-carboxylic acid
CID 71212622
4-(3-ethoxyphenyl)-1-[2-(4-pyridin-3-yloxyphenoxy)ethyl]pyrrolo[3,2-c]pyridine-2-carboxylic acid
CID 71212120
4-(3-ethoxyphenyl)-1-[2-[4-[(5-methylcyclohexa-1,3-dien-1-yl)amino]phenoxy]ethyl]pyrrolo[3,2-c]pyridine-2-carboxylic acid
CID 144508888
4-chloro-1-[2-[4-(trifluoromethoxy)phenoxy]ethyl]pyrrolo[3,2-c]pyridine-2-carboxylic acid
CID 89376018
N-[[3-(3-ethoxyphenyl)-1-methylpyrazol-4-yl]methyl]-2-methylpropan-2-amine
CID 79491562
4-(3-ethoxyphenyl)-1-[[4-(phenoxymethyl)phenyl]methyl]pyrrolo[3,2-c]pyridine-2-carboxylic acid
CID 71212583
1-ethoxy-4-[2-[3-(trifluoromethyl)phenoxy]ethoxy]benzene
CID 2283088
4-chloro-1-(2-phenoxyethyl)indole
CID 116623510
1-(3-chloropropoxy)-3-(4-ethoxyphenyl)benzene
CID 39396726
3-(3-ethoxyphenyl)-1H-pyrazine-2-thione
CID 106519902
2-[3-chloro-2-[3-(trifluoromethoxy)phenyl]-4-pyridinyl]acetic acid
CID 134625724
methyl 8-(3-ethoxyphenyl)-3-[2-(4-methylphenoxy)ethyl]imidazo[1,2-a]pyrazine-2-carboxylate
CID 90193725

Frequently Asked Questions

What is the IUPAC name of 4-(3-ethoxyphenyl)-1-[2-[4-(trifluoromethoxy)phenoxy]ethyl]pyrrolo[3,2-c]pyridine?
The IUPAC name of 4-(3-ethoxyphenyl)-1-[2-[4-(trifluoromethoxy)phenoxy]ethyl]pyrrolo[3,2-c]pyridine (CID 71212575) is 4-(3-ethoxyphenyl)-1-[2-[4-(trifluoromethoxy)phenoxy]ethyl]pyrrolo[3,2-c]pyridine.
What is the SMILES notation for 4-(3-ethoxyphenyl)-1-[2-[4-(trifluoromethoxy)phenoxy]ethyl]pyrrolo[3,2-c]pyridine?
The canonical SMILES for 4-(3-ethoxyphenyl)-1-[2-[4-(trifluoromethoxy)phenoxy]ethyl]pyrrolo[3,2-c]pyridine is CCOc1cccc(-c2nccc3c2ccn3CCOc2ccc(OC(F)(F)F)cc2)c1.
What is the InChIKey of 4-(3-ethoxyphenyl)-1-[2-[4-(trifluoromethoxy)phenoxy]ethyl]pyrrolo[3,2-c]pyridine?
The InChIKey is OGGKPOIHOHKSNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21F3N2O3/c1-2-30-20-5-3-4-17(16-20)23-21-11-13-29(22(21)10-12-28-23)14-15-31-18-6-8-19(9-7-18)32-24(25,26)27/h3-13,16H,2,14-15H2,1H3.
What are the key properties of 4-(3-ethoxyphenyl)-1-[2-[4-(trifluoromethoxy)phenoxy]ethyl]pyrrolo[3,2-c]pyridine?
4-(3-ethoxyphenyl)-1-[2-[4-(trifluoromethoxy)phenoxy]ethyl]pyrrolo[3,2-c]pyridine has a molecular weight of 442.44 g/mol, XLogP of 6.08, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-ethoxyphenyl)-1-[2-[4-(trifluoromethoxy)phenoxy]ethyl]pyrrolo[3,2-c]pyridine is sourced from PubChem (CID 71212575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).