[2-ethoxy-3-[(2-fluorophenyl)methoxy]phenyl]-(1H-pyrrolo[2,3-b]pyridin-3-yl)methanone

C23H19FN2O3 — CID 24952734

IUPAC[2-ethoxy-3-[(2-fluorophenyl)methoxy]phenyl]-(1H-pyrrolo[2,3-b]pyridin-3-yl)methanone
SMILESCCOc1c(OCc2ccccc2F)cccc1C(=O)c1c[nH]c2ncccc12
InChIInChI=1S/C23H19FN2O3/c1-2-28-22-17(21(27)18-13-26-23-16(18)9-6-12-25-23)8-5-11-20(22)29-14-15-7-3-4-10-19(15)24/h3-13H,2,14H2,1H3,(H,25,26)
InChIKeyRDYUKNBMBRJVFL-UHFFFAOYSA-N
MW390.41 g/mol
LogP4.91
Rot. Bonds7

About [2-ethoxy-3-[(2-fluorophenyl)methoxy]phenyl]-(1H-pyrrolo[2,3-b]pyridin-3-yl)methanone

[2-ethoxy-3-[(2-fluorophenyl)methoxy]phenyl]-(1H-pyrrolo[2,3-b]pyridin-3-yl)methanone (PubChem CID 24952734) has the molecular formula C23H19FN2O3 and a molecular weight of 390.41 g/mol. Its IUPAC name is [2-ethoxy-3-[(2-fluorophenyl)methoxy]phenyl]-(1H-pyrrolo[2,3-b]pyridin-3-yl)methanone.

Molecular Properties

Compound Name[2-ethoxy-3-[(2-fluorophenyl)methoxy]phenyl]-(1H-pyrrolo[2,3-b]pyridin-3-yl)methanone
PubChem CID24952734
Molecular FormulaC23H19FN2O3
Molecular Weight390.41 g/mol
Exact Mass390.14
IUPAC Name[2-ethoxy-3-[(2-fluorophenyl)methoxy]phenyl]-(1H-pyrrolo[2,3-b]pyridin-3-yl)methanone
SMILESCCOc1c(OCc2ccccc2F)cccc1C(=O)c1c[nH]c2ncccc12
InChIInChI=1S/C23H19FN2O3/c1-2-28-22-17(21(27)18-13-26-23-16(18)9-6-12-25-23)8-5-11-20(22)29-14-15-7-3-4-10-19(15)24/h3-13H,2,14H2,1H3,(H,25,26)
InChIKeyRDYUKNBMBRJVFL-UHFFFAOYSA-N
XLogP4.91
TPSA64.21 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.41
LogP ≤ 54.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [2-ethoxy-3-[(2-fluorophenyl)methoxy]phenyl]-(1H-pyrrolo[2,3-b]pyridin-3-yl)methanone?
The IUPAC name of [2-ethoxy-3-[(2-fluorophenyl)methoxy]phenyl]-(1H-pyrrolo[2,3-b]pyridin-3-yl)methanone (CID 24952734) is [2-ethoxy-3-[(2-fluorophenyl)methoxy]phenyl]-(1H-pyrrolo[2,3-b]pyridin-3-yl)methanone.
What is the SMILES notation for [2-ethoxy-3-[(2-fluorophenyl)methoxy]phenyl]-(1H-pyrrolo[2,3-b]pyridin-3-yl)methanone?
The canonical SMILES for [2-ethoxy-3-[(2-fluorophenyl)methoxy]phenyl]-(1H-pyrrolo[2,3-b]pyridin-3-yl)methanone is CCOc1c(OCc2ccccc2F)cccc1C(=O)c1c[nH]c2ncccc12.
What is the InChIKey of [2-ethoxy-3-[(2-fluorophenyl)methoxy]phenyl]-(1H-pyrrolo[2,3-b]pyridin-3-yl)methanone?
The InChIKey is RDYUKNBMBRJVFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19FN2O3/c1-2-28-22-17(21(27)18-13-26-23-16(18)9-6-12-25-23)8-5-11-20(22)29-14-15-7-3-4-10-19(15)24/h3-13H,2,14H2,1H3,(H,25,26).
What are the key properties of [2-ethoxy-3-[(2-fluorophenyl)methoxy]phenyl]-(1H-pyrrolo[2,3-b]pyridin-3-yl)methanone?
[2-ethoxy-3-[(2-fluorophenyl)methoxy]phenyl]-(1H-pyrrolo[2,3-b]pyridin-3-yl)methanone has a molecular weight of 390.41 g/mol, XLogP of 4.91, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-ethoxy-3-[(2-fluorophenyl)methoxy]phenyl]-(1H-pyrrolo[2,3-b]pyridin-3-yl)methanone is sourced from PubChem (CID 24952734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).