1-(2-ethenoxyethyl)-7-[(4-fluorophenyl)methoxy]-2,3-dimethylpyrrolo[3,2-b]pyridine

C20H21FN2O2 — CID 11581620

IUPAC1-(2-ethenoxyethyl)-7-[(4-fluorophenyl)methoxy]-2,3-dimethylpyrrolo[3,2-b]pyridine
SMILESC=COCCn1c(C)c(C)c2nccc(OCc3ccc(F)cc3)c21
InChIInChI=1S/C20H21FN2O2/c1-4-24-12-11-23-15(3)14(2)19-20(23)18(9-10-22-19)25-13-16-5-7-17(21)8-6-16/h4-10H,1,11-13H2,2-3H3
InChIKeyRZKAGLUNHXZDNY-UHFFFAOYSA-N
MW340.40 g/mol
LogP4.53
Rot. Bonds7

About 1-(2-ethenoxyethyl)-7-[(4-fluorophenyl)methoxy]-2,3-dimethylpyrrolo[3,2-b]pyridine

1-(2-ethenoxyethyl)-7-[(4-fluorophenyl)methoxy]-2,3-dimethylpyrrolo[3,2-b]pyridine (PubChem CID 11581620) has the molecular formula C20H21FN2O2 and a molecular weight of 340.40 g/mol. Its IUPAC name is 1-(2-ethenoxyethyl)-7-[(4-fluorophenyl)methoxy]-2,3-dimethylpyrrolo[3,2-b]pyridine.

Molecular Properties

Compound Name1-(2-ethenoxyethyl)-7-[(4-fluorophenyl)methoxy]-2,3-dimethylpyrrolo[3,2-b]pyridine
PubChem CID11581620
Molecular FormulaC20H21FN2O2
Molecular Weight340.40 g/mol
Exact Mass340.16
IUPAC Name1-(2-ethenoxyethyl)-7-[(4-fluorophenyl)methoxy]-2,3-dimethylpyrrolo[3,2-b]pyridine
SMILESC=COCCn1c(C)c(C)c2nccc(OCc3ccc(F)cc3)c21
InChIInChI=1S/C20H21FN2O2/c1-4-24-12-11-23-15(3)14(2)19-20(23)18(9-10-22-19)25-13-16-5-7-17(21)8-6-16/h4-10H,1,11-13H2,2-3H3
InChIKeyRZKAGLUNHXZDNY-UHFFFAOYSA-N
XLogP4.53
TPSA36.28 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.40
LogP ≤ 54.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(2-ethenoxyethyl)-7-[(4-fluorophenyl)methoxy]-2,3-dimethylpyrrolo[3,2-b]pyridine?
The IUPAC name of 1-(2-ethenoxyethyl)-7-[(4-fluorophenyl)methoxy]-2,3-dimethylpyrrolo[3,2-b]pyridine (CID 11581620) is 1-(2-ethenoxyethyl)-7-[(4-fluorophenyl)methoxy]-2,3-dimethylpyrrolo[3,2-b]pyridine.
What is the SMILES notation for 1-(2-ethenoxyethyl)-7-[(4-fluorophenyl)methoxy]-2,3-dimethylpyrrolo[3,2-b]pyridine?
The canonical SMILES for 1-(2-ethenoxyethyl)-7-[(4-fluorophenyl)methoxy]-2,3-dimethylpyrrolo[3,2-b]pyridine is C=COCCn1c(C)c(C)c2nccc(OCc3ccc(F)cc3)c21.
What is the InChIKey of 1-(2-ethenoxyethyl)-7-[(4-fluorophenyl)methoxy]-2,3-dimethylpyrrolo[3,2-b]pyridine?
The InChIKey is RZKAGLUNHXZDNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21FN2O2/c1-4-24-12-11-23-15(3)14(2)19-20(23)18(9-10-22-19)25-13-16-5-7-17(21)8-6-16/h4-10H,1,11-13H2,2-3H3.
What are the key properties of 1-(2-ethenoxyethyl)-7-[(4-fluorophenyl)methoxy]-2,3-dimethylpyrrolo[3,2-b]pyridine?
1-(2-ethenoxyethyl)-7-[(4-fluorophenyl)methoxy]-2,3-dimethylpyrrolo[3,2-b]pyridine has a molecular weight of 340.40 g/mol, XLogP of 4.53, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-ethenoxyethyl)-7-[(4-fluorophenyl)methoxy]-2,3-dimethylpyrrolo[3,2-b]pyridine is sourced from PubChem (CID 11581620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).