4-(3-ethoxyphenyl)-1-[2-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]oxyethyl]pyrrolo[3,2-c]pyridine-2-carboxylic acid

C23H21F3N4O4 — CID 71230367

IUPAC4-(3-ethoxyphenyl)-1-[2-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]oxyethyl]pyrrolo[3,2-c]pyridine-2-carboxylic acid
SMILESCCOc1cccc(-c2nccc3c2cc(C(=O)O)n3CCOc2cc(C(F)(F)F)nn2C)c1
InChIInChI=1S/C23H21F3N4O4/c1-3-33-15-6-4-5-14(11-15)21-16-12-18(22(31)32)30(17(16)7-8-27-21)9-10-34-20-13-19(23(24,25)26)28-29(20)2/h4-8,11-13H,3,9-10H2,1-2H3,(H,31,32)
InChIKeyGWDZPPVEQLDFKN-UHFFFAOYSA-N
MW474.44 g/mol
LogP4.63
Rot. Bonds8

About 4-(3-ethoxyphenyl)-1-[2-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]oxyethyl]pyrrolo[3,2-c]pyridine-2-carboxylic acid

4-(3-ethoxyphenyl)-1-[2-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]oxyethyl]pyrrolo[3,2-c]pyridine-2-carboxylic acid (PubChem CID 71230367) has the molecular formula C23H21F3N4O4 and a molecular weight of 474.44 g/mol. Its IUPAC name is 4-(3-ethoxyphenyl)-1-[2-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]oxyethyl]pyrrolo[3,2-c]pyridine-2-carboxylic acid.

Molecular Properties

Compound Name4-(3-ethoxyphenyl)-1-[2-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]oxyethyl]pyrrolo[3,2-c]pyridine-2-carboxylic acid
PubChem CID71230367
Molecular FormulaC23H21F3N4O4
Molecular Weight474.44 g/mol
Exact Mass474.15
IUPAC Name4-(3-ethoxyphenyl)-1-[2-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]oxyethyl]pyrrolo[3,2-c]pyridine-2-carboxylic acid
SMILESCCOc1cccc(-c2nccc3c2cc(C(=O)O)n3CCOc2cc(C(F)(F)F)nn2C)c1
InChIInChI=1S/C23H21F3N4O4/c1-3-33-15-6-4-5-14(11-15)21-16-12-18(22(31)32)30(17(16)7-8-27-21)9-10-34-20-13-19(23(24,25)26)28-29(20)2/h4-8,11-13H,3,9-10H2,1-2H3,(H,31,32)
InChIKeyGWDZPPVEQLDFKN-UHFFFAOYSA-N
XLogP4.63
TPSA91.40 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500474.44
LogP ≤ 54.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-(3-ethoxyphenyl)-1-[2-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]oxyethyl]pyrrolo[3,2-c]pyridine-2-carboxylic acid?
The IUPAC name of 4-(3-ethoxyphenyl)-1-[2-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]oxyethyl]pyrrolo[3,2-c]pyridine-2-carboxylic acid (CID 71230367) is 4-(3-ethoxyphenyl)-1-[2-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]oxyethyl]pyrrolo[3,2-c]pyridine-2-carboxylic acid.
What is the SMILES notation for 4-(3-ethoxyphenyl)-1-[2-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]oxyethyl]pyrrolo[3,2-c]pyridine-2-carboxylic acid?
The canonical SMILES for 4-(3-ethoxyphenyl)-1-[2-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]oxyethyl]pyrrolo[3,2-c]pyridine-2-carboxylic acid is CCOc1cccc(-c2nccc3c2cc(C(=O)O)n3CCOc2cc(C(F)(F)F)nn2C)c1.
What is the InChIKey of 4-(3-ethoxyphenyl)-1-[2-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]oxyethyl]pyrrolo[3,2-c]pyridine-2-carboxylic acid?
The InChIKey is GWDZPPVEQLDFKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21F3N4O4/c1-3-33-15-6-4-5-14(11-15)21-16-12-18(22(31)32)30(17(16)7-8-27-21)9-10-34-20-13-19(23(24,25)26)28-29(20)2/h4-8,11-13H,3,9-10H2,1-2H3,(H,31,32).
What are the key properties of 4-(3-ethoxyphenyl)-1-[2-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]oxyethyl]pyrrolo[3,2-c]pyridine-2-carboxylic acid?
4-(3-ethoxyphenyl)-1-[2-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]oxyethyl]pyrrolo[3,2-c]pyridine-2-carboxylic acid has a molecular weight of 474.44 g/mol, XLogP of 4.63, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-ethoxyphenyl)-1-[2-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]oxyethyl]pyrrolo[3,2-c]pyridine-2-carboxylic acid is sourced from PubChem (CID 71230367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).