ethyl 1-[(3-fluorophenyl)methyl]-5-phenylpyrrolo[2,3-c]pyridine-2-carboxylate

C23H19FN2O2 — CID 67544981

IUPACethyl 1-[(3-fluorophenyl)methyl]-5-phenylpyrrolo[2,3-c]pyridine-2-carboxylate
SMILESCCOC(=O)c1cc2cc(-c3ccccc3)ncc2n1Cc1cccc(F)c1
InChIInChI=1S/C23H19FN2O2/c1-2-28-23(27)21-13-18-12-20(17-8-4-3-5-9-17)25-14-22(18)26(21)15-16-7-6-10-19(24)11-16/h3-14H,2,15H2,1H3
InChIKeyVUUGQNQFCBONGU-UHFFFAOYSA-N
MW374.42 g/mol
LogP5.07
Rot. Bonds5

About ethyl 1-[(3-fluorophenyl)methyl]-5-phenylpyrrolo[2,3-c]pyridine-2-carboxylate

ethyl 1-[(3-fluorophenyl)methyl]-5-phenylpyrrolo[2,3-c]pyridine-2-carboxylate (PubChem CID 67544981) has the molecular formula C23H19FN2O2 and a molecular weight of 374.42 g/mol. Its IUPAC name is ethyl 1-[(3-fluorophenyl)methyl]-5-phenylpyrrolo[2,3-c]pyridine-2-carboxylate.

Molecular Properties

Compound Nameethyl 1-[(3-fluorophenyl)methyl]-5-phenylpyrrolo[2,3-c]pyridine-2-carboxylate
PubChem CID67544981
Molecular FormulaC23H19FN2O2
Molecular Weight374.42 g/mol
Exact Mass374.14
IUPAC Nameethyl 1-[(3-fluorophenyl)methyl]-5-phenylpyrrolo[2,3-c]pyridine-2-carboxylate
SMILESCCOC(=O)c1cc2cc(-c3ccccc3)ncc2n1Cc1cccc(F)c1
InChIInChI=1S/C23H19FN2O2/c1-2-28-23(27)21-13-18-12-20(17-8-4-3-5-9-17)25-14-22(18)26(21)15-16-7-6-10-19(24)11-16/h3-14H,2,15H2,1H3
InChIKeyVUUGQNQFCBONGU-UHFFFAOYSA-N
XLogP5.07
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500374.42
LogP ≤ 55.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethyl 1-[(3-fluorophenyl)methyl]-5-phenylpyrrolo[2,3-c]pyridine-2-carboxylate?
The IUPAC name of ethyl 1-[(3-fluorophenyl)methyl]-5-phenylpyrrolo[2,3-c]pyridine-2-carboxylate (CID 67544981) is ethyl 1-[(3-fluorophenyl)methyl]-5-phenylpyrrolo[2,3-c]pyridine-2-carboxylate.
What is the SMILES notation for ethyl 1-[(3-fluorophenyl)methyl]-5-phenylpyrrolo[2,3-c]pyridine-2-carboxylate?
The canonical SMILES for ethyl 1-[(3-fluorophenyl)methyl]-5-phenylpyrrolo[2,3-c]pyridine-2-carboxylate is CCOC(=O)c1cc2cc(-c3ccccc3)ncc2n1Cc1cccc(F)c1.
What is the InChIKey of ethyl 1-[(3-fluorophenyl)methyl]-5-phenylpyrrolo[2,3-c]pyridine-2-carboxylate?
The InChIKey is VUUGQNQFCBONGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19FN2O2/c1-2-28-23(27)21-13-18-12-20(17-8-4-3-5-9-17)25-14-22(18)26(21)15-16-7-6-10-19(24)11-16/h3-14H,2,15H2,1H3.
What are the key properties of ethyl 1-[(3-fluorophenyl)methyl]-5-phenylpyrrolo[2,3-c]pyridine-2-carboxylate?
ethyl 1-[(3-fluorophenyl)methyl]-5-phenylpyrrolo[2,3-c]pyridine-2-carboxylate has a molecular weight of 374.42 g/mol, XLogP of 5.07, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-[(3-fluorophenyl)methyl]-5-phenylpyrrolo[2,3-c]pyridine-2-carboxylate is sourced from PubChem (CID 67544981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).