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

C24H23FN2O2 — CID 11611629

IUPAC7-[(4-fluorophenyl)methoxy]-1-[(3-methoxyphenyl)methyl]-2,3-dimethylpyrrolo[3,2-b]pyridine
SMILESCOc1cccc(Cn2c(C)c(C)c3nccc(OCc4ccc(F)cc4)c32)c1
InChIInChI=1S/C24H23FN2O2/c1-16-17(2)27(14-19-5-4-6-21(13-19)28-3)24-22(11-12-26-23(16)24)29-15-18-7-9-20(25)10-8-18/h4-13H,14-15H2,1-3H3
InChIKeyGWKMBRPVMSXPFM-UHFFFAOYSA-N
MW390.46 g/mol
LogP5.43
Rot. Bonds6

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

7-[(4-fluorophenyl)methoxy]-1-[(3-methoxyphenyl)methyl]-2,3-dimethylpyrrolo[3,2-b]pyridine (PubChem CID 11611629) has the molecular formula C24H23FN2O2 and a molecular weight of 390.46 g/mol. Its IUPAC name is 7-[(4-fluorophenyl)methoxy]-1-[(3-methoxyphenyl)methyl]-2,3-dimethylpyrrolo[3,2-b]pyridine.

Molecular Properties

Compound Name7-[(4-fluorophenyl)methoxy]-1-[(3-methoxyphenyl)methyl]-2,3-dimethylpyrrolo[3,2-b]pyridine
PubChem CID11611629
Molecular FormulaC24H23FN2O2
Molecular Weight390.46 g/mol
Exact Mass390.17
IUPAC Name7-[(4-fluorophenyl)methoxy]-1-[(3-methoxyphenyl)methyl]-2,3-dimethylpyrrolo[3,2-b]pyridine
SMILESCOc1cccc(Cn2c(C)c(C)c3nccc(OCc4ccc(F)cc4)c32)c1
InChIInChI=1S/C24H23FN2O2/c1-16-17(2)27(14-19-5-4-6-21(13-19)28-3)24-22(11-12-26-23(16)24)29-15-18-7-9-20(25)10-8-18/h4-13H,14-15H2,1-3H3
InChIKeyGWKMBRPVMSXPFM-UHFFFAOYSA-N
XLogP5.43
TPSA36.28 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500390.46
LogP ≤ 55.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 7-[(4-fluorophenyl)methoxy]-1-[(3-methoxyphenyl)methyl]-2,3-dimethylpyrrolo[3,2-b]pyridine?
The IUPAC name of 7-[(4-fluorophenyl)methoxy]-1-[(3-methoxyphenyl)methyl]-2,3-dimethylpyrrolo[3,2-b]pyridine (CID 11611629) is 7-[(4-fluorophenyl)methoxy]-1-[(3-methoxyphenyl)methyl]-2,3-dimethylpyrrolo[3,2-b]pyridine.
What is the SMILES notation for 7-[(4-fluorophenyl)methoxy]-1-[(3-methoxyphenyl)methyl]-2,3-dimethylpyrrolo[3,2-b]pyridine?
The canonical SMILES for 7-[(4-fluorophenyl)methoxy]-1-[(3-methoxyphenyl)methyl]-2,3-dimethylpyrrolo[3,2-b]pyridine is COc1cccc(Cn2c(C)c(C)c3nccc(OCc4ccc(F)cc4)c32)c1.
What is the InChIKey of 7-[(4-fluorophenyl)methoxy]-1-[(3-methoxyphenyl)methyl]-2,3-dimethylpyrrolo[3,2-b]pyridine?
The InChIKey is GWKMBRPVMSXPFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23FN2O2/c1-16-17(2)27(14-19-5-4-6-21(13-19)28-3)24-22(11-12-26-23(16)24)29-15-18-7-9-20(25)10-8-18/h4-13H,14-15H2,1-3H3.
What are the key properties of 7-[(4-fluorophenyl)methoxy]-1-[(3-methoxyphenyl)methyl]-2,3-dimethylpyrrolo[3,2-b]pyridine?
7-[(4-fluorophenyl)methoxy]-1-[(3-methoxyphenyl)methyl]-2,3-dimethylpyrrolo[3,2-b]pyridine has a molecular weight of 390.46 g/mol, XLogP of 5.43, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[(4-fluorophenyl)methoxy]-1-[(3-methoxyphenyl)methyl]-2,3-dimethylpyrrolo[3,2-b]pyridine is sourced from PubChem (CID 11611629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).