5-(2,6-diethylphenyl)-1-[(4-methoxyphenyl)methyl]pyrrolo[2,3-c]pyridine

C25H26N2O — CID 67152657

IUPAC5-(2,6-diethylphenyl)-1-[(4-methoxyphenyl)methyl]pyrrolo[2,3-c]pyridine
SMILESCCc1cccc(CC)c1-c1cc2ccn(Cc3ccc(OC)cc3)c2cn1
InChIInChI=1S/C25H26N2O/c1-4-19-7-6-8-20(5-2)25(19)23-15-21-13-14-27(24(21)16-26-23)17-18-9-11-22(28-3)12-10-18/h6-16H,4-5,17H2,1-3H3
InChIKeyWSOWFQIAZBGXQU-UHFFFAOYSA-N
MW370.50 g/mol
LogP5.89
Rot. Bonds6

About 5-(2,6-diethylphenyl)-1-[(4-methoxyphenyl)methyl]pyrrolo[2,3-c]pyridine

5-(2,6-diethylphenyl)-1-[(4-methoxyphenyl)methyl]pyrrolo[2,3-c]pyridine (PubChem CID 67152657) has the molecular formula C25H26N2O and a molecular weight of 370.50 g/mol. Its IUPAC name is 5-(2,6-diethylphenyl)-1-[(4-methoxyphenyl)methyl]pyrrolo[2,3-c]pyridine.

Molecular Properties

Compound Name5-(2,6-diethylphenyl)-1-[(4-methoxyphenyl)methyl]pyrrolo[2,3-c]pyridine
PubChem CID67152657
Molecular FormulaC25H26N2O
Molecular Weight370.50 g/mol
Exact Mass370.20
IUPAC Name5-(2,6-diethylphenyl)-1-[(4-methoxyphenyl)methyl]pyrrolo[2,3-c]pyridine
SMILESCCc1cccc(CC)c1-c1cc2ccn(Cc3ccc(OC)cc3)c2cn1
InChIInChI=1S/C25H26N2O/c1-4-19-7-6-8-20(5-2)25(19)23-15-21-13-14-27(24(21)16-26-23)17-18-9-11-22(28-3)12-10-18/h6-16H,4-5,17H2,1-3H3
InChIKeyWSOWFQIAZBGXQU-UHFFFAOYSA-N
XLogP5.89
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500370.50
LogP ≤ 55.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(2,6-diethylphenyl)-1-[(4-methoxyphenyl)methyl]pyrrolo[2,3-c]pyridine?
The IUPAC name of 5-(2,6-diethylphenyl)-1-[(4-methoxyphenyl)methyl]pyrrolo[2,3-c]pyridine (CID 67152657) is 5-(2,6-diethylphenyl)-1-[(4-methoxyphenyl)methyl]pyrrolo[2,3-c]pyridine.
What is the SMILES notation for 5-(2,6-diethylphenyl)-1-[(4-methoxyphenyl)methyl]pyrrolo[2,3-c]pyridine?
The canonical SMILES for 5-(2,6-diethylphenyl)-1-[(4-methoxyphenyl)methyl]pyrrolo[2,3-c]pyridine is CCc1cccc(CC)c1-c1cc2ccn(Cc3ccc(OC)cc3)c2cn1.
What is the InChIKey of 5-(2,6-diethylphenyl)-1-[(4-methoxyphenyl)methyl]pyrrolo[2,3-c]pyridine?
The InChIKey is WSOWFQIAZBGXQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26N2O/c1-4-19-7-6-8-20(5-2)25(19)23-15-21-13-14-27(24(21)16-26-23)17-18-9-11-22(28-3)12-10-18/h6-16H,4-5,17H2,1-3H3.
What are the key properties of 5-(2,6-diethylphenyl)-1-[(4-methoxyphenyl)methyl]pyrrolo[2,3-c]pyridine?
5-(2,6-diethylphenyl)-1-[(4-methoxyphenyl)methyl]pyrrolo[2,3-c]pyridine has a molecular weight of 370.50 g/mol, XLogP of 5.89, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,6-diethylphenyl)-1-[(4-methoxyphenyl)methyl]pyrrolo[2,3-c]pyridine is sourced from PubChem (CID 67152657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).