7-(3-fluorophenyl)-1-(4-fluorophenyl)-5-oxo-6,7-dihydro-4H-pyrrolo[3,2-b]pyridine-3-carboxylic acid

C20H14F2N2O3 — CID 46948993

IUPAC7-(3-fluorophenyl)-1-(4-fluorophenyl)-5-oxo-6,7-dihydro-4H-pyrrolo[3,2-b]pyridine-3-carboxylic acid
SMILESO=C1CC(c2cccc(F)c2)c2c(c(C(=O)O)cn2-c2ccc(F)cc2)N1
InChIInChI=1S/C20H14F2N2O3/c21-12-4-6-14(7-5-12)24-10-16(20(26)27)18-19(24)15(9-17(25)23-18)11-2-1-3-13(22)8-11/h1-8,10,15H,9H2,(H,23,25)(H,26,27)
InChIKeyXTXBEHXRUGCKRQ-UHFFFAOYSA-N
MW368.34 g/mol
LogP3.93
Rot. Bonds3

About 7-(3-fluorophenyl)-1-(4-fluorophenyl)-5-oxo-6,7-dihydro-4H-pyrrolo[3,2-b]pyridine-3-carboxylic acid

7-(3-fluorophenyl)-1-(4-fluorophenyl)-5-oxo-6,7-dihydro-4H-pyrrolo[3,2-b]pyridine-3-carboxylic acid (PubChem CID 46948993) has the molecular formula C20H14F2N2O3 and a molecular weight of 368.34 g/mol. Its IUPAC name is 7-(3-fluorophenyl)-1-(4-fluorophenyl)-5-oxo-6,7-dihydro-4H-pyrrolo[3,2-b]pyridine-3-carboxylic acid.

Molecular Properties

Compound Name7-(3-fluorophenyl)-1-(4-fluorophenyl)-5-oxo-6,7-dihydro-4H-pyrrolo[3,2-b]pyridine-3-carboxylic acid
PubChem CID46948993
Molecular FormulaC20H14F2N2O3
Molecular Weight368.34 g/mol
Exact Mass368.10
IUPAC Name7-(3-fluorophenyl)-1-(4-fluorophenyl)-5-oxo-6,7-dihydro-4H-pyrrolo[3,2-b]pyridine-3-carboxylic acid
SMILESO=C1CC(c2cccc(F)c2)c2c(c(C(=O)O)cn2-c2ccc(F)cc2)N1
InChIInChI=1S/C20H14F2N2O3/c21-12-4-6-14(7-5-12)24-10-16(20(26)27)18-19(24)15(9-17(25)23-18)11-2-1-3-13(22)8-11/h1-8,10,15H,9H2,(H,23,25)(H,26,27)
InChIKeyXTXBEHXRUGCKRQ-UHFFFAOYSA-N
XLogP3.93
TPSA71.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.34
LogP ≤ 53.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 7-(3-fluorophenyl)-1-(4-fluorophenyl)-5-oxo-6,7-dihydro-4H-pyrrolo[3,2-b]pyridine-3-carboxylic acid?
The IUPAC name of 7-(3-fluorophenyl)-1-(4-fluorophenyl)-5-oxo-6,7-dihydro-4H-pyrrolo[3,2-b]pyridine-3-carboxylic acid (CID 46948993) is 7-(3-fluorophenyl)-1-(4-fluorophenyl)-5-oxo-6,7-dihydro-4H-pyrrolo[3,2-b]pyridine-3-carboxylic acid.
What is the SMILES notation for 7-(3-fluorophenyl)-1-(4-fluorophenyl)-5-oxo-6,7-dihydro-4H-pyrrolo[3,2-b]pyridine-3-carboxylic acid?
The canonical SMILES for 7-(3-fluorophenyl)-1-(4-fluorophenyl)-5-oxo-6,7-dihydro-4H-pyrrolo[3,2-b]pyridine-3-carboxylic acid is O=C1CC(c2cccc(F)c2)c2c(c(C(=O)O)cn2-c2ccc(F)cc2)N1.
What is the InChIKey of 7-(3-fluorophenyl)-1-(4-fluorophenyl)-5-oxo-6,7-dihydro-4H-pyrrolo[3,2-b]pyridine-3-carboxylic acid?
The InChIKey is XTXBEHXRUGCKRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14F2N2O3/c21-12-4-6-14(7-5-12)24-10-16(20(26)27)18-19(24)15(9-17(25)23-18)11-2-1-3-13(22)8-11/h1-8,10,15H,9H2,(H,23,25)(H,26,27).
What are the key properties of 7-(3-fluorophenyl)-1-(4-fluorophenyl)-5-oxo-6,7-dihydro-4H-pyrrolo[3,2-b]pyridine-3-carboxylic acid?
7-(3-fluorophenyl)-1-(4-fluorophenyl)-5-oxo-6,7-dihydro-4H-pyrrolo[3,2-b]pyridine-3-carboxylic acid has a molecular weight of 368.34 g/mol, XLogP of 3.93, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(3-fluorophenyl)-1-(4-fluorophenyl)-5-oxo-6,7-dihydro-4H-pyrrolo[3,2-b]pyridine-3-carboxylic acid is sourced from PubChem (CID 46948993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).