3-[(3-methoxy-2-phenylmethoxyphenyl)methyl]-1H-pyrrolo[2,3-b]pyridine

C22H20N2O2 — CID 58086764

IUPAC3-[(3-methoxy-2-phenylmethoxyphenyl)methyl]-1H-pyrrolo[2,3-b]pyridine
SMILESCOc1cccc(Cc2c[nH]c3ncccc23)c1OCc1ccccc1
InChIInChI=1S/C22H20N2O2/c1-25-20-11-5-9-17(21(20)26-15-16-7-3-2-4-8-16)13-18-14-24-22-19(18)10-6-12-23-22/h2-12,14H,13,15H2,1H3,(H,23,24)
InChIKeyJYERDCKZFGZMSF-UHFFFAOYSA-N
MW344.41 g/mol
LogP4.74
Rot. Bonds6

About 3-[(3-methoxy-2-phenylmethoxyphenyl)methyl]-1H-pyrrolo[2,3-b]pyridine

3-[(3-methoxy-2-phenylmethoxyphenyl)methyl]-1H-pyrrolo[2,3-b]pyridine (PubChem CID 58086764) has the molecular formula C22H20N2O2 and a molecular weight of 344.41 g/mol. Its IUPAC name is 3-[(3-methoxy-2-phenylmethoxyphenyl)methyl]-1H-pyrrolo[2,3-b]pyridine.

Molecular Properties

Compound Name3-[(3-methoxy-2-phenylmethoxyphenyl)methyl]-1H-pyrrolo[2,3-b]pyridine
PubChem CID58086764
Molecular FormulaC22H20N2O2
Molecular Weight344.41 g/mol
Exact Mass344.15
IUPAC Name3-[(3-methoxy-2-phenylmethoxyphenyl)methyl]-1H-pyrrolo[2,3-b]pyridine
SMILESCOc1cccc(Cc2c[nH]c3ncccc23)c1OCc1ccccc1
InChIInChI=1S/C22H20N2O2/c1-25-20-11-5-9-17(21(20)26-15-16-7-3-2-4-8-16)13-18-14-24-22-19(18)10-6-12-23-22/h2-12,14H,13,15H2,1H3,(H,23,24)
InChIKeyJYERDCKZFGZMSF-UHFFFAOYSA-N
XLogP4.74
TPSA47.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.41
LogP ≤ 54.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[(3-methoxy-2-phenylmethoxyphenyl)methyl]-1H-pyrrolo[2,3-b]pyridine?
The IUPAC name of 3-[(3-methoxy-2-phenylmethoxyphenyl)methyl]-1H-pyrrolo[2,3-b]pyridine (CID 58086764) is 3-[(3-methoxy-2-phenylmethoxyphenyl)methyl]-1H-pyrrolo[2,3-b]pyridine.
What is the SMILES notation for 3-[(3-methoxy-2-phenylmethoxyphenyl)methyl]-1H-pyrrolo[2,3-b]pyridine?
The canonical SMILES for 3-[(3-methoxy-2-phenylmethoxyphenyl)methyl]-1H-pyrrolo[2,3-b]pyridine is COc1cccc(Cc2c[nH]c3ncccc23)c1OCc1ccccc1.
What is the InChIKey of 3-[(3-methoxy-2-phenylmethoxyphenyl)methyl]-1H-pyrrolo[2,3-b]pyridine?
The InChIKey is JYERDCKZFGZMSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N2O2/c1-25-20-11-5-9-17(21(20)26-15-16-7-3-2-4-8-16)13-18-14-24-22-19(18)10-6-12-23-22/h2-12,14H,13,15H2,1H3,(H,23,24).
What are the key properties of 3-[(3-methoxy-2-phenylmethoxyphenyl)methyl]-1H-pyrrolo[2,3-b]pyridine?
3-[(3-methoxy-2-phenylmethoxyphenyl)methyl]-1H-pyrrolo[2,3-b]pyridine has a molecular weight of 344.41 g/mol, XLogP of 4.74, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-methoxy-2-phenylmethoxyphenyl)methyl]-1H-pyrrolo[2,3-b]pyridine is sourced from PubChem (CID 58086764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).