5-methoxy-1-(3-phenylmethoxypropyl)pyrrolo[3,2-b]pyridine

C18H20N2O2 — CID 12035117

IUPAC5-methoxy-1-(3-phenylmethoxypropyl)pyrrolo[3,2-b]pyridine
SMILESCOc1ccc2c(ccn2CCCOCc2ccccc2)n1
InChIInChI=1S/C18H20N2O2/c1-21-18-9-8-17-16(19-18)10-12-20(17)11-5-13-22-14-15-6-3-2-4-7-15/h2-4,6-10,12H,5,11,13-14H2,1H3
InChIKeyUQSQCFUOTLLEQT-UHFFFAOYSA-N
MW296.37 g/mol
LogP3.65
Rot. Bonds7

About 5-methoxy-1-(3-phenylmethoxypropyl)pyrrolo[3,2-b]pyridine

5-methoxy-1-(3-phenylmethoxypropyl)pyrrolo[3,2-b]pyridine (PubChem CID 12035117) has the molecular formula C18H20N2O2 and a molecular weight of 296.37 g/mol. Its IUPAC name is 5-methoxy-1-(3-phenylmethoxypropyl)pyrrolo[3,2-b]pyridine.

Molecular Properties

Compound Name5-methoxy-1-(3-phenylmethoxypropyl)pyrrolo[3,2-b]pyridine
PubChem CID12035117
Molecular FormulaC18H20N2O2
Molecular Weight296.37 g/mol
Exact Mass296.15
IUPAC Name5-methoxy-1-(3-phenylmethoxypropyl)pyrrolo[3,2-b]pyridine
SMILESCOc1ccc2c(ccn2CCCOCc2ccccc2)n1
InChIInChI=1S/C18H20N2O2/c1-21-18-9-8-17-16(19-18)10-12-20(17)11-5-13-22-14-15-6-3-2-4-7-15/h2-4,6-10,12H,5,11,13-14H2,1H3
InChIKeyUQSQCFUOTLLEQT-UHFFFAOYSA-N
XLogP3.65
TPSA36.28 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.37
LogP ≤ 53.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-methoxy-1-(3-phenylmethoxypropyl)pyrrolo[3,2-b]pyridine?
The IUPAC name of 5-methoxy-1-(3-phenylmethoxypropyl)pyrrolo[3,2-b]pyridine (CID 12035117) is 5-methoxy-1-(3-phenylmethoxypropyl)pyrrolo[3,2-b]pyridine.
What is the SMILES notation for 5-methoxy-1-(3-phenylmethoxypropyl)pyrrolo[3,2-b]pyridine?
The canonical SMILES for 5-methoxy-1-(3-phenylmethoxypropyl)pyrrolo[3,2-b]pyridine is COc1ccc2c(ccn2CCCOCc2ccccc2)n1.
What is the InChIKey of 5-methoxy-1-(3-phenylmethoxypropyl)pyrrolo[3,2-b]pyridine?
The InChIKey is UQSQCFUOTLLEQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O2/c1-21-18-9-8-17-16(19-18)10-12-20(17)11-5-13-22-14-15-6-3-2-4-7-15/h2-4,6-10,12H,5,11,13-14H2,1H3.
What are the key properties of 5-methoxy-1-(3-phenylmethoxypropyl)pyrrolo[3,2-b]pyridine?
5-methoxy-1-(3-phenylmethoxypropyl)pyrrolo[3,2-b]pyridine has a molecular weight of 296.37 g/mol, XLogP of 3.65, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-1-(3-phenylmethoxypropyl)pyrrolo[3,2-b]pyridine is sourced from PubChem (CID 12035117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).