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

C23H20F2N2O — CID 11683091

IUPAC7-[(4-fluorophenyl)methoxy]-1-[(3-fluorophenyl)methyl]-2,3-dimethylpyrrolo[3,2-b]pyridine
SMILESCc1c(C)n(Cc2cccc(F)c2)c2c(OCc3ccc(F)cc3)ccnc12
InChIInChI=1S/C23H20F2N2O/c1-15-16(2)27(13-18-4-3-5-20(25)12-18)23-21(10-11-26-22(15)23)28-14-17-6-8-19(24)9-7-17/h3-12H,13-14H2,1-2H3
InChIKeyILNHHXAJSJKJJN-UHFFFAOYSA-N
MW378.42 g/mol
LogP5.56
Rot. Bonds5

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

7-[(4-fluorophenyl)methoxy]-1-[(3-fluorophenyl)methyl]-2,3-dimethylpyrrolo[3,2-b]pyridine (PubChem CID 11683091) has the molecular formula C23H20F2N2O and a molecular weight of 378.42 g/mol. Its IUPAC name is 7-[(4-fluorophenyl)methoxy]-1-[(3-fluorophenyl)methyl]-2,3-dimethylpyrrolo[3,2-b]pyridine.

Molecular Properties

Compound Name7-[(4-fluorophenyl)methoxy]-1-[(3-fluorophenyl)methyl]-2,3-dimethylpyrrolo[3,2-b]pyridine
PubChem CID11683091
Molecular FormulaC23H20F2N2O
Molecular Weight378.42 g/mol
Exact Mass378.15
IUPAC Name7-[(4-fluorophenyl)methoxy]-1-[(3-fluorophenyl)methyl]-2,3-dimethylpyrrolo[3,2-b]pyridine
SMILESCc1c(C)n(Cc2cccc(F)c2)c2c(OCc3ccc(F)cc3)ccnc12
InChIInChI=1S/C23H20F2N2O/c1-15-16(2)27(13-18-4-3-5-20(25)12-18)23-21(10-11-26-22(15)23)28-14-17-6-8-19(24)9-7-17/h3-12H,13-14H2,1-2H3
InChIKeyILNHHXAJSJKJJN-UHFFFAOYSA-N
XLogP5.56
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500378.42
LogP ≤ 55.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 7-[(4-fluorophenyl)methoxy]-1-[(3-fluorophenyl)methyl]-2,3-dimethylpyrrolo[3,2-b]pyridine?
The IUPAC name of 7-[(4-fluorophenyl)methoxy]-1-[(3-fluorophenyl)methyl]-2,3-dimethylpyrrolo[3,2-b]pyridine (CID 11683091) is 7-[(4-fluorophenyl)methoxy]-1-[(3-fluorophenyl)methyl]-2,3-dimethylpyrrolo[3,2-b]pyridine.
What is the SMILES notation for 7-[(4-fluorophenyl)methoxy]-1-[(3-fluorophenyl)methyl]-2,3-dimethylpyrrolo[3,2-b]pyridine?
The canonical SMILES for 7-[(4-fluorophenyl)methoxy]-1-[(3-fluorophenyl)methyl]-2,3-dimethylpyrrolo[3,2-b]pyridine is Cc1c(C)n(Cc2cccc(F)c2)c2c(OCc3ccc(F)cc3)ccnc12.
What is the InChIKey of 7-[(4-fluorophenyl)methoxy]-1-[(3-fluorophenyl)methyl]-2,3-dimethylpyrrolo[3,2-b]pyridine?
The InChIKey is ILNHHXAJSJKJJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20F2N2O/c1-15-16(2)27(13-18-4-3-5-20(25)12-18)23-21(10-11-26-22(15)23)28-14-17-6-8-19(24)9-7-17/h3-12H,13-14H2,1-2H3.
What are the key properties of 7-[(4-fluorophenyl)methoxy]-1-[(3-fluorophenyl)methyl]-2,3-dimethylpyrrolo[3,2-b]pyridine?
7-[(4-fluorophenyl)methoxy]-1-[(3-fluorophenyl)methyl]-2,3-dimethylpyrrolo[3,2-b]pyridine has a molecular weight of 378.42 g/mol, XLogP of 5.56, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[(4-fluorophenyl)methoxy]-1-[(3-fluorophenyl)methyl]-2,3-dimethylpyrrolo[3,2-b]pyridine is sourced from PubChem (CID 11683091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).