1-[3-(4-fluorophenyl)-2-pyridin-4-ylpyrrolo[3,2-b]pyridin-1-yl]ethanol

C20H16FN3O — CID 23647184

IUPAC1-[3-(4-fluorophenyl)-2-pyridin-4-ylpyrrolo[3,2-b]pyridin-1-yl]ethanol
SMILESCC(O)n1c(-c2ccncc2)c(-c2ccc(F)cc2)c2ncccc21
InChIInChI=1S/C20H16FN3O/c1-13(25)24-17-3-2-10-23-19(17)18(14-4-6-16(21)7-5-14)20(24)15-8-11-22-12-9-15/h2-13,25H,1H3
InChIKeyKTLXOVDVEZSSEE-UHFFFAOYSA-N
MW333.37 g/mol
LogP4.42
Rot. Bonds3

About 1-[3-(4-fluorophenyl)-2-pyridin-4-ylpyrrolo[3,2-b]pyridin-1-yl]ethanol

1-[3-(4-fluorophenyl)-2-pyridin-4-ylpyrrolo[3,2-b]pyridin-1-yl]ethanol (PubChem CID 23647184) has the molecular formula C20H16FN3O and a molecular weight of 333.37 g/mol. Its IUPAC name is 1-[3-(4-fluorophenyl)-2-pyridin-4-ylpyrrolo[3,2-b]pyridin-1-yl]ethanol.

Molecular Properties

Compound Name1-[3-(4-fluorophenyl)-2-pyridin-4-ylpyrrolo[3,2-b]pyridin-1-yl]ethanol
PubChem CID23647184
Molecular FormulaC20H16FN3O
Molecular Weight333.37 g/mol
Exact Mass333.13
IUPAC Name1-[3-(4-fluorophenyl)-2-pyridin-4-ylpyrrolo[3,2-b]pyridin-1-yl]ethanol
SMILESCC(O)n1c(-c2ccncc2)c(-c2ccc(F)cc2)c2ncccc21
InChIInChI=1S/C20H16FN3O/c1-13(25)24-17-3-2-10-23-19(17)18(14-4-6-16(21)7-5-14)20(24)15-8-11-22-12-9-15/h2-13,25H,1H3
InChIKeyKTLXOVDVEZSSEE-UHFFFAOYSA-N
XLogP4.42
TPSA50.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.37
LogP ≤ 54.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[3-(4-fluorophenyl)-2-pyridin-4-ylpyrrolo[3,2-b]pyridin-1-yl]ethanol?
The IUPAC name of 1-[3-(4-fluorophenyl)-2-pyridin-4-ylpyrrolo[3,2-b]pyridin-1-yl]ethanol (CID 23647184) is 1-[3-(4-fluorophenyl)-2-pyridin-4-ylpyrrolo[3,2-b]pyridin-1-yl]ethanol.
What is the SMILES notation for 1-[3-(4-fluorophenyl)-2-pyridin-4-ylpyrrolo[3,2-b]pyridin-1-yl]ethanol?
The canonical SMILES for 1-[3-(4-fluorophenyl)-2-pyridin-4-ylpyrrolo[3,2-b]pyridin-1-yl]ethanol is CC(O)n1c(-c2ccncc2)c(-c2ccc(F)cc2)c2ncccc21.
What is the InChIKey of 1-[3-(4-fluorophenyl)-2-pyridin-4-ylpyrrolo[3,2-b]pyridin-1-yl]ethanol?
The InChIKey is KTLXOVDVEZSSEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16FN3O/c1-13(25)24-17-3-2-10-23-19(17)18(14-4-6-16(21)7-5-14)20(24)15-8-11-22-12-9-15/h2-13,25H,1H3.
What are the key properties of 1-[3-(4-fluorophenyl)-2-pyridin-4-ylpyrrolo[3,2-b]pyridin-1-yl]ethanol?
1-[3-(4-fluorophenyl)-2-pyridin-4-ylpyrrolo[3,2-b]pyridin-1-yl]ethanol has a molecular weight of 333.37 g/mol, XLogP of 4.42, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(4-fluorophenyl)-2-pyridin-4-ylpyrrolo[3,2-b]pyridin-1-yl]ethanol is sourced from PubChem (CID 23647184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).