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

C24H23FN2O — CID 11560599

IUPAC7-[(4-fluorophenyl)methoxy]-2,3-dimethyl-1-[(4-methylphenyl)methyl]pyrrolo[3,2-b]pyridine
SMILESCc1ccc(Cn2c(C)c(C)c3nccc(OCc4ccc(F)cc4)c32)cc1
InChIInChI=1S/C24H23FN2O/c1-16-4-6-19(7-5-16)14-27-18(3)17(2)23-24(27)22(12-13-26-23)28-15-20-8-10-21(25)11-9-20/h4-13H,14-15H2,1-3H3
InChIKeyCVLBUTGUMGGFIB-UHFFFAOYSA-N
MW374.46 g/mol
LogP5.73
Rot. Bonds5

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

7-[(4-fluorophenyl)methoxy]-2,3-dimethyl-1-[(4-methylphenyl)methyl]pyrrolo[3,2-b]pyridine (PubChem CID 11560599) has the molecular formula C24H23FN2O and a molecular weight of 374.46 g/mol. Its IUPAC name is 7-[(4-fluorophenyl)methoxy]-2,3-dimethyl-1-[(4-methylphenyl)methyl]pyrrolo[3,2-b]pyridine.

Molecular Properties

Compound Name7-[(4-fluorophenyl)methoxy]-2,3-dimethyl-1-[(4-methylphenyl)methyl]pyrrolo[3,2-b]pyridine
PubChem CID11560599
Molecular FormulaC24H23FN2O
Molecular Weight374.46 g/mol
Exact Mass374.18
IUPAC Name7-[(4-fluorophenyl)methoxy]-2,3-dimethyl-1-[(4-methylphenyl)methyl]pyrrolo[3,2-b]pyridine
SMILESCc1ccc(Cn2c(C)c(C)c3nccc(OCc4ccc(F)cc4)c32)cc1
InChIInChI=1S/C24H23FN2O/c1-16-4-6-19(7-5-16)14-27-18(3)17(2)23-24(27)22(12-13-26-23)28-15-20-8-10-21(25)11-9-20/h4-13H,14-15H2,1-3H3
InChIKeyCVLBUTGUMGGFIB-UHFFFAOYSA-N
XLogP5.73
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500374.46
LogP ≤ 55.73
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]-2,3-dimethyl-1-[(4-methylphenyl)methyl]pyrrolo[3,2-b]pyridine?
The IUPAC name of 7-[(4-fluorophenyl)methoxy]-2,3-dimethyl-1-[(4-methylphenyl)methyl]pyrrolo[3,2-b]pyridine (CID 11560599) is 7-[(4-fluorophenyl)methoxy]-2,3-dimethyl-1-[(4-methylphenyl)methyl]pyrrolo[3,2-b]pyridine.
What is the SMILES notation for 7-[(4-fluorophenyl)methoxy]-2,3-dimethyl-1-[(4-methylphenyl)methyl]pyrrolo[3,2-b]pyridine?
The canonical SMILES for 7-[(4-fluorophenyl)methoxy]-2,3-dimethyl-1-[(4-methylphenyl)methyl]pyrrolo[3,2-b]pyridine is Cc1ccc(Cn2c(C)c(C)c3nccc(OCc4ccc(F)cc4)c32)cc1.
What is the InChIKey of 7-[(4-fluorophenyl)methoxy]-2,3-dimethyl-1-[(4-methylphenyl)methyl]pyrrolo[3,2-b]pyridine?
The InChIKey is CVLBUTGUMGGFIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23FN2O/c1-16-4-6-19(7-5-16)14-27-18(3)17(2)23-24(27)22(12-13-26-23)28-15-20-8-10-21(25)11-9-20/h4-13H,14-15H2,1-3H3.
What are the key properties of 7-[(4-fluorophenyl)methoxy]-2,3-dimethyl-1-[(4-methylphenyl)methyl]pyrrolo[3,2-b]pyridine?
7-[(4-fluorophenyl)methoxy]-2,3-dimethyl-1-[(4-methylphenyl)methyl]pyrrolo[3,2-b]pyridine has a molecular weight of 374.46 g/mol, XLogP of 5.73, 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]-2,3-dimethyl-1-[(4-methylphenyl)methyl]pyrrolo[3,2-b]pyridine is sourced from PubChem (CID 11560599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).