5-[(2,4-dimethoxyphenyl)methoxy]-1H-pyrrolo[2,3-b]pyridine

C16H16N2O3 — CID 25027180

IUPAC5-[(2,4-dimethoxyphenyl)methoxy]-1H-pyrrolo[2,3-b]pyridine
SMILESCOc1ccc(COc2cnc3[nH]ccc3c2)c(OC)c1
InChIInChI=1S/C16H16N2O3/c1-19-13-4-3-12(15(8-13)20-2)10-21-14-7-11-5-6-17-16(11)18-9-14/h3-9H,10H2,1-2H3,(H,17,18)
InChIKeyYEMYPLQLRVTFIH-UHFFFAOYSA-N
MW284.32 g/mol
LogP3.16
Rot. Bonds5

About 5-[(2,4-dimethoxyphenyl)methoxy]-1H-pyrrolo[2,3-b]pyridine

5-[(2,4-dimethoxyphenyl)methoxy]-1H-pyrrolo[2,3-b]pyridine (PubChem CID 25027180) has the molecular formula C16H16N2O3 and a molecular weight of 284.32 g/mol. Its IUPAC name is 5-[(2,4-dimethoxyphenyl)methoxy]-1H-pyrrolo[2,3-b]pyridine.

Molecular Properties

Compound Name5-[(2,4-dimethoxyphenyl)methoxy]-1H-pyrrolo[2,3-b]pyridine
PubChem CID25027180
Molecular FormulaC16H16N2O3
Molecular Weight284.32 g/mol
Exact Mass284.12
IUPAC Name5-[(2,4-dimethoxyphenyl)methoxy]-1H-pyrrolo[2,3-b]pyridine
SMILESCOc1ccc(COc2cnc3[nH]ccc3c2)c(OC)c1
InChIInChI=1S/C16H16N2O3/c1-19-13-4-3-12(15(8-13)20-2)10-21-14-7-11-5-6-17-16(11)18-9-14/h3-9H,10H2,1-2H3,(H,17,18)
InChIKeyYEMYPLQLRVTFIH-UHFFFAOYSA-N
XLogP3.16
TPSA56.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.32
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-(1H-pyrrolo[2,3-b]pyridin-5-yloxy)-1H-pyrrolo[2,3-b]pyridine
CID 158881003
N-[(2,4-dimethoxyphenyl)methyl]-1H-indol-5-amine
CID 28662205
5-(3,4-dimethoxyphenyl)-1H-pyrrolo[2,3-b]pyridine
CID 10149230
5,6-dimethoxy-1H-pyrrolo[2,3-b]pyridine
CID 74891232
2,4-dimethoxy-1-[3-[4-methoxy-2-[(4-methoxyphenyl)methoxy]phenyl]propyl]benzene
CID 139826649
3-[(2-fluoro-4-methoxyphenyl)methoxy]quinoline
CID 107388111
5-methoxy-2-[(4-methoxyphenoxy)methyl]phenol
CID 117221300
N-[(2,4-dimethoxyphenyl)methyl]-4-methoxyaniline
CID 11587152
bis[(2,4-dimethoxyphenyl)methyl] hydrogen phosphite
CID 69443369
1-[3-(2,4-dimethoxyphenyl)propyl]-2-ethoxy-4-[(4-methoxyphenyl)methoxy]benzene
CID 139826698
1-(iodomethyl)-2,4-dimethoxybenzene
CID 91883521
methyl 4-phosphanyl-2-(1H-pyrrolo[2,3-b]pyridin-5-yloxy)benzoate
CID 152853712

Frequently Asked Questions

What is the IUPAC name of 5-[(2,4-dimethoxyphenyl)methoxy]-1H-pyrrolo[2,3-b]pyridine?
The IUPAC name of 5-[(2,4-dimethoxyphenyl)methoxy]-1H-pyrrolo[2,3-b]pyridine (CID 25027180) is 5-[(2,4-dimethoxyphenyl)methoxy]-1H-pyrrolo[2,3-b]pyridine.
What is the SMILES notation for 5-[(2,4-dimethoxyphenyl)methoxy]-1H-pyrrolo[2,3-b]pyridine?
The canonical SMILES for 5-[(2,4-dimethoxyphenyl)methoxy]-1H-pyrrolo[2,3-b]pyridine is COc1ccc(COc2cnc3[nH]ccc3c2)c(OC)c1.
What is the InChIKey of 5-[(2,4-dimethoxyphenyl)methoxy]-1H-pyrrolo[2,3-b]pyridine?
The InChIKey is YEMYPLQLRVTFIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2O3/c1-19-13-4-3-12(15(8-13)20-2)10-21-14-7-11-5-6-17-16(11)18-9-14/h3-9H,10H2,1-2H3,(H,17,18).
What are the key properties of 5-[(2,4-dimethoxyphenyl)methoxy]-1H-pyrrolo[2,3-b]pyridine?
5-[(2,4-dimethoxyphenyl)methoxy]-1H-pyrrolo[2,3-b]pyridine has a molecular weight of 284.32 g/mol, XLogP of 3.16, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2,4-dimethoxyphenyl)methoxy]-1H-pyrrolo[2,3-b]pyridine is sourced from PubChem (CID 25027180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).