7-(2,4-dimethoxyphenyl)-3-(3-fluorophenyl)-1H-pyrrolo[2,3-c]pyridine

C21H17FN2O2 — CID 169450649

IUPAC7-(2,4-dimethoxyphenyl)-3-(3-fluorophenyl)-1H-pyrrolo[2,3-c]pyridine
SMILESCOc1ccc(-c2nccc3c(-c4cccc(F)c4)c[nH]c23)c(OC)c1
InChIInChI=1S/C21H17FN2O2/c1-25-15-6-7-17(19(11-15)26-2)21-20-16(8-9-23-21)18(12-24-20)13-4-3-5-14(22)10-13/h3-12,24H,1-2H3
InChIKeyGFGUONALQQRUOT-UHFFFAOYSA-N
MW348.38 g/mol
LogP5.05
Rot. Bonds4

About 7-(2,4-dimethoxyphenyl)-3-(3-fluorophenyl)-1H-pyrrolo[2,3-c]pyridine

7-(2,4-dimethoxyphenyl)-3-(3-fluorophenyl)-1H-pyrrolo[2,3-c]pyridine (PubChem CID 169450649) has the molecular formula C21H17FN2O2 and a molecular weight of 348.38 g/mol. Its IUPAC name is 7-(2,4-dimethoxyphenyl)-3-(3-fluorophenyl)-1H-pyrrolo[2,3-c]pyridine.

Molecular Properties

Compound Name7-(2,4-dimethoxyphenyl)-3-(3-fluorophenyl)-1H-pyrrolo[2,3-c]pyridine
PubChem CID169450649
Molecular FormulaC21H17FN2O2
Molecular Weight348.38 g/mol
Exact Mass348.13
IUPAC Name7-(2,4-dimethoxyphenyl)-3-(3-fluorophenyl)-1H-pyrrolo[2,3-c]pyridine
SMILESCOc1ccc(-c2nccc3c(-c4cccc(F)c4)c[nH]c23)c(OC)c1
InChIInChI=1S/C21H17FN2O2/c1-25-15-6-7-17(19(11-15)26-2)21-20-16(8-9-23-21)18(12-24-20)13-4-3-5-14(22)10-13/h3-12,24H,1-2H3
InChIKeyGFGUONALQQRUOT-UHFFFAOYSA-N
XLogP5.05
TPSA47.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500348.38
LogP ≤ 55.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 7-(2,4-dimethoxyphenyl)-3-(3-fluorophenyl)-1H-pyrrolo[2,3-c]pyridine?
The IUPAC name of 7-(2,4-dimethoxyphenyl)-3-(3-fluorophenyl)-1H-pyrrolo[2,3-c]pyridine (CID 169450649) is 7-(2,4-dimethoxyphenyl)-3-(3-fluorophenyl)-1H-pyrrolo[2,3-c]pyridine.
What is the SMILES notation for 7-(2,4-dimethoxyphenyl)-3-(3-fluorophenyl)-1H-pyrrolo[2,3-c]pyridine?
The canonical SMILES for 7-(2,4-dimethoxyphenyl)-3-(3-fluorophenyl)-1H-pyrrolo[2,3-c]pyridine is COc1ccc(-c2nccc3c(-c4cccc(F)c4)c[nH]c23)c(OC)c1.
What is the InChIKey of 7-(2,4-dimethoxyphenyl)-3-(3-fluorophenyl)-1H-pyrrolo[2,3-c]pyridine?
The InChIKey is GFGUONALQQRUOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17FN2O2/c1-25-15-6-7-17(19(11-15)26-2)21-20-16(8-9-23-21)18(12-24-20)13-4-3-5-14(22)10-13/h3-12,24H,1-2H3.
What are the key properties of 7-(2,4-dimethoxyphenyl)-3-(3-fluorophenyl)-1H-pyrrolo[2,3-c]pyridine?
7-(2,4-dimethoxyphenyl)-3-(3-fluorophenyl)-1H-pyrrolo[2,3-c]pyridine has a molecular weight of 348.38 g/mol, XLogP of 5.05, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(2,4-dimethoxyphenyl)-3-(3-fluorophenyl)-1H-pyrrolo[2,3-c]pyridine is sourced from PubChem (CID 169450649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).