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

C21H18FN3O — CID 11035416

IUPAC3-(4-fluorophenyl)-1-(2-methoxyethyl)-2-pyridin-4-ylpyrrolo[3,2-b]pyridine
SMILESCOCCn1c(-c2ccncc2)c(-c2ccc(F)cc2)c2ncccc21
InChIInChI=1S/C21H18FN3O/c1-26-14-13-25-18-3-2-10-24-20(18)19(15-4-6-17(22)7-5-15)21(25)16-8-11-23-12-9-16/h2-12H,13-14H2,1H3
InChIKeyPKXRTJILDWEMOT-UHFFFAOYSA-N
MW347.39 g/mol
LogP4.55
Rot. Bonds5

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

3-(4-fluorophenyl)-1-(2-methoxyethyl)-2-pyridin-4-ylpyrrolo[3,2-b]pyridine (PubChem CID 11035416) has the molecular formula C21H18FN3O and a molecular weight of 347.39 g/mol. Its IUPAC name is 3-(4-fluorophenyl)-1-(2-methoxyethyl)-2-pyridin-4-ylpyrrolo[3,2-b]pyridine.

Molecular Properties

Compound Name3-(4-fluorophenyl)-1-(2-methoxyethyl)-2-pyridin-4-ylpyrrolo[3,2-b]pyridine
PubChem CID11035416
Molecular FormulaC21H18FN3O
Molecular Weight347.39 g/mol
Exact Mass347.14
IUPAC Name3-(4-fluorophenyl)-1-(2-methoxyethyl)-2-pyridin-4-ylpyrrolo[3,2-b]pyridine
SMILESCOCCn1c(-c2ccncc2)c(-c2ccc(F)cc2)c2ncccc21
InChIInChI=1S/C21H18FN3O/c1-26-14-13-25-18-3-2-10-24-20(18)19(15-4-6-17(22)7-5-15)21(25)16-8-11-23-12-9-16/h2-12H,13-14H2,1H3
InChIKeyPKXRTJILDWEMOT-UHFFFAOYSA-N
XLogP4.55
TPSA39.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.39
LogP ≤ 54.55
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-(2-methoxyethyl)-2-pyridin-4-ylpyrrolo[3,2-b]pyridine?
The IUPAC name of 3-(4-fluorophenyl)-1-(2-methoxyethyl)-2-pyridin-4-ylpyrrolo[3,2-b]pyridine (CID 11035416) is 3-(4-fluorophenyl)-1-(2-methoxyethyl)-2-pyridin-4-ylpyrrolo[3,2-b]pyridine.
What is the SMILES notation for 3-(4-fluorophenyl)-1-(2-methoxyethyl)-2-pyridin-4-ylpyrrolo[3,2-b]pyridine?
The canonical SMILES for 3-(4-fluorophenyl)-1-(2-methoxyethyl)-2-pyridin-4-ylpyrrolo[3,2-b]pyridine is COCCn1c(-c2ccncc2)c(-c2ccc(F)cc2)c2ncccc21.
What is the InChIKey of 3-(4-fluorophenyl)-1-(2-methoxyethyl)-2-pyridin-4-ylpyrrolo[3,2-b]pyridine?
The InChIKey is PKXRTJILDWEMOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18FN3O/c1-26-14-13-25-18-3-2-10-24-20(18)19(15-4-6-17(22)7-5-15)21(25)16-8-11-23-12-9-16/h2-12H,13-14H2,1H3.
What are the key properties of 3-(4-fluorophenyl)-1-(2-methoxyethyl)-2-pyridin-4-ylpyrrolo[3,2-b]pyridine?
3-(4-fluorophenyl)-1-(2-methoxyethyl)-2-pyridin-4-ylpyrrolo[3,2-b]pyridine has a molecular weight of 347.39 g/mol, XLogP of 4.55, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-fluorophenyl)-1-(2-methoxyethyl)-2-pyridin-4-ylpyrrolo[3,2-b]pyridine is sourced from PubChem (CID 11035416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).