1-benzyl-7-methoxy-3-phenylpyrrolo[2,3-c]pyridine

C21H18N2O — CID 76850860

IUPAC1-benzyl-7-methoxy-3-phenylpyrrolo[2,3-c]pyridine
SMILESCOc1nccc2c(-c3ccccc3)cn(Cc3ccccc3)c12
InChIInChI=1S/C21H18N2O/c1-24-21-20-18(12-13-22-21)19(17-10-6-3-7-11-17)15-23(20)14-16-8-4-2-5-9-16/h2-13,15H,14H2,1H3
InChIKeyQCGPOTAYIISNMN-UHFFFAOYSA-N
MW314.39 g/mol
LogP4.76
Rot. Bonds4

About 1-benzyl-7-methoxy-3-phenylpyrrolo[2,3-c]pyridine

1-benzyl-7-methoxy-3-phenylpyrrolo[2,3-c]pyridine (PubChem CID 76850860) has the molecular formula C21H18N2O and a molecular weight of 314.39 g/mol. Its IUPAC name is 1-benzyl-7-methoxy-3-phenylpyrrolo[2,3-c]pyridine.

Molecular Properties

Compound Name1-benzyl-7-methoxy-3-phenylpyrrolo[2,3-c]pyridine
PubChem CID76850860
Molecular FormulaC21H18N2O
Molecular Weight314.39 g/mol
Exact Mass314.14
IUPAC Name1-benzyl-7-methoxy-3-phenylpyrrolo[2,3-c]pyridine
SMILESCOc1nccc2c(-c3ccccc3)cn(Cc3ccccc3)c12
InChIInChI=1S/C21H18N2O/c1-24-21-20-18(12-13-22-21)19(17-10-6-3-7-11-17)15-23(20)14-16-8-4-2-5-9-16/h2-13,15H,14H2,1H3
InChIKeyQCGPOTAYIISNMN-UHFFFAOYSA-N
XLogP4.76
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.39
LogP ≤ 54.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-benzyl-7-methoxy-3-phenylpyrrolo[2,3-c]pyridine?
The IUPAC name of 1-benzyl-7-methoxy-3-phenylpyrrolo[2,3-c]pyridine (CID 76850860) is 1-benzyl-7-methoxy-3-phenylpyrrolo[2,3-c]pyridine.
What is the SMILES notation for 1-benzyl-7-methoxy-3-phenylpyrrolo[2,3-c]pyridine?
The canonical SMILES for 1-benzyl-7-methoxy-3-phenylpyrrolo[2,3-c]pyridine is COc1nccc2c(-c3ccccc3)cn(Cc3ccccc3)c12.
What is the InChIKey of 1-benzyl-7-methoxy-3-phenylpyrrolo[2,3-c]pyridine?
The InChIKey is QCGPOTAYIISNMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18N2O/c1-24-21-20-18(12-13-22-21)19(17-10-6-3-7-11-17)15-23(20)14-16-8-4-2-5-9-16/h2-13,15H,14H2,1H3.
What are the key properties of 1-benzyl-7-methoxy-3-phenylpyrrolo[2,3-c]pyridine?
1-benzyl-7-methoxy-3-phenylpyrrolo[2,3-c]pyridine has a molecular weight of 314.39 g/mol, XLogP of 4.76, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-7-methoxy-3-phenylpyrrolo[2,3-c]pyridine is sourced from PubChem (CID 76850860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).