3-(4-fluorophenyl)-1-(1-methoxyethyl)-2-pyridin-4-ylpyrrolo[3,2-b]pyridine

C21H18FN3O — CID 23647183

IUPAC3-(4-fluorophenyl)-1-(1-methoxyethyl)-2-pyridin-4-ylpyrrolo[3,2-b]pyridine
SMILESCOC(C)n1c(-c2ccncc2)c(-c2ccc(F)cc2)c2ncccc21
InChIInChI=1S/C21H18FN3O/c1-14(26-2)25-18-4-3-11-24-20(18)19(15-5-7-17(22)8-6-15)21(25)16-9-12-23-13-10-16/h3-14H,1-2H3
InChIKeyNOWHGVZPHVBLSI-UHFFFAOYSA-N
MW347.39 g/mol
LogP5.07
Rot. Bonds4

About 3-(4-fluorophenyl)-1-(1-methoxyethyl)-2-pyridin-4-ylpyrrolo[3,2-b]pyridine

3-(4-fluorophenyl)-1-(1-methoxyethyl)-2-pyridin-4-ylpyrrolo[3,2-b]pyridine (PubChem CID 23647183) has the molecular formula C21H18FN3O and a molecular weight of 347.39 g/mol. Its IUPAC name is 3-(4-fluorophenyl)-1-(1-methoxyethyl)-2-pyridin-4-ylpyrrolo[3,2-b]pyridine.

Molecular Properties

Compound Name3-(4-fluorophenyl)-1-(1-methoxyethyl)-2-pyridin-4-ylpyrrolo[3,2-b]pyridine
PubChem CID23647183
Molecular FormulaC21H18FN3O
Molecular Weight347.39 g/mol
Exact Mass347.14
IUPAC Name3-(4-fluorophenyl)-1-(1-methoxyethyl)-2-pyridin-4-ylpyrrolo[3,2-b]pyridine
SMILESCOC(C)n1c(-c2ccncc2)c(-c2ccc(F)cc2)c2ncccc21
InChIInChI=1S/C21H18FN3O/c1-14(26-2)25-18-4-3-11-24-20(18)19(15-5-7-17(22)8-6-15)21(25)16-9-12-23-13-10-16/h3-14H,1-2H3
InChIKeyNOWHGVZPHVBLSI-UHFFFAOYSA-N
XLogP5.07
TPSA39.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500347.39
LogP ≤ 55.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(4-fluorophenyl)-1-(1-methoxyethyl)-2-pyridin-4-ylpyrrolo[3,2-b]pyridine?
The IUPAC name of 3-(4-fluorophenyl)-1-(1-methoxyethyl)-2-pyridin-4-ylpyrrolo[3,2-b]pyridine (CID 23647183) is 3-(4-fluorophenyl)-1-(1-methoxyethyl)-2-pyridin-4-ylpyrrolo[3,2-b]pyridine.
What is the SMILES notation for 3-(4-fluorophenyl)-1-(1-methoxyethyl)-2-pyridin-4-ylpyrrolo[3,2-b]pyridine?
The canonical SMILES for 3-(4-fluorophenyl)-1-(1-methoxyethyl)-2-pyridin-4-ylpyrrolo[3,2-b]pyridine is COC(C)n1c(-c2ccncc2)c(-c2ccc(F)cc2)c2ncccc21.
What is the InChIKey of 3-(4-fluorophenyl)-1-(1-methoxyethyl)-2-pyridin-4-ylpyrrolo[3,2-b]pyridine?
The InChIKey is NOWHGVZPHVBLSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18FN3O/c1-14(26-2)25-18-4-3-11-24-20(18)19(15-5-7-17(22)8-6-15)21(25)16-9-12-23-13-10-16/h3-14H,1-2H3.
What are the key properties of 3-(4-fluorophenyl)-1-(1-methoxyethyl)-2-pyridin-4-ylpyrrolo[3,2-b]pyridine?
3-(4-fluorophenyl)-1-(1-methoxyethyl)-2-pyridin-4-ylpyrrolo[3,2-b]pyridine has a molecular weight of 347.39 g/mol, XLogP of 5.07, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-fluorophenyl)-1-(1-methoxyethyl)-2-pyridin-4-ylpyrrolo[3,2-b]pyridine is sourced from PubChem (CID 23647183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).