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

C20H16FN3 — CID 11012564

IUPAC1-ethyl-3-(4-fluorophenyl)-2-pyridin-4-ylpyrrolo[3,2-b]pyridine
SMILESCCn1c(-c2ccncc2)c(-c2ccc(F)cc2)c2ncccc21
InChIInChI=1S/C20H16FN3/c1-2-24-17-4-3-11-23-19(17)18(14-5-7-16(21)8-6-14)20(24)15-9-12-22-13-10-15/h3-13H,2H2,1H3
InChIKeyARIBSPPNMFOEEQ-UHFFFAOYSA-N
MW317.37 g/mol
LogP4.92
Rot. Bonds3

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

1-ethyl-3-(4-fluorophenyl)-2-pyridin-4-ylpyrrolo[3,2-b]pyridine (PubChem CID 11012564) has the molecular formula C20H16FN3 and a molecular weight of 317.37 g/mol. Its IUPAC name is 1-ethyl-3-(4-fluorophenyl)-2-pyridin-4-ylpyrrolo[3,2-b]pyridine.

Molecular Properties

Compound Name1-ethyl-3-(4-fluorophenyl)-2-pyridin-4-ylpyrrolo[3,2-b]pyridine
PubChem CID11012564
Molecular FormulaC20H16FN3
Molecular Weight317.37 g/mol
Exact Mass317.13
IUPAC Name1-ethyl-3-(4-fluorophenyl)-2-pyridin-4-ylpyrrolo[3,2-b]pyridine
SMILESCCn1c(-c2ccncc2)c(-c2ccc(F)cc2)c2ncccc21
InChIInChI=1S/C20H16FN3/c1-2-24-17-4-3-11-23-19(17)18(14-5-7-16(21)8-6-14)20(24)15-9-12-22-13-10-15/h3-13H,2H2,1H3
InChIKeyARIBSPPNMFOEEQ-UHFFFAOYSA-N
XLogP4.92
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.37
LogP ≤ 54.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-3-(4-fluorophenyl)-2-pyridin-4-ylpyrrolo[3,2-b]pyridine?
The IUPAC name of 1-ethyl-3-(4-fluorophenyl)-2-pyridin-4-ylpyrrolo[3,2-b]pyridine (CID 11012564) is 1-ethyl-3-(4-fluorophenyl)-2-pyridin-4-ylpyrrolo[3,2-b]pyridine.
What is the SMILES notation for 1-ethyl-3-(4-fluorophenyl)-2-pyridin-4-ylpyrrolo[3,2-b]pyridine?
The canonical SMILES for 1-ethyl-3-(4-fluorophenyl)-2-pyridin-4-ylpyrrolo[3,2-b]pyridine is CCn1c(-c2ccncc2)c(-c2ccc(F)cc2)c2ncccc21.
What is the InChIKey of 1-ethyl-3-(4-fluorophenyl)-2-pyridin-4-ylpyrrolo[3,2-b]pyridine?
The InChIKey is ARIBSPPNMFOEEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16FN3/c1-2-24-17-4-3-11-23-19(17)18(14-5-7-16(21)8-6-14)20(24)15-9-12-22-13-10-15/h3-13H,2H2,1H3.
What are the key properties of 1-ethyl-3-(4-fluorophenyl)-2-pyridin-4-ylpyrrolo[3,2-b]pyridine?
1-ethyl-3-(4-fluorophenyl)-2-pyridin-4-ylpyrrolo[3,2-b]pyridine has a molecular weight of 317.37 g/mol, XLogP of 4.92, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-3-(4-fluorophenyl)-2-pyridin-4-ylpyrrolo[3,2-b]pyridine is sourced from PubChem (CID 11012564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).