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

C22H20N2O3 — CID 59699896

IUPAC5-(3,4-dimethoxyphenyl)-3-(4-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridine
SMILESCOc1ccc(-c2c[nH]c3ncc(-c4ccc(OC)c(OC)c4)cc23)cc1
InChIInChI=1S/C22H20N2O3/c1-25-17-7-4-14(5-8-17)19-13-24-22-18(19)10-16(12-23-22)15-6-9-20(26-2)21(11-15)27-3/h4-13H,1-3H3,(H,23,24)
InChIKeyPWZJUYIUSIUYGS-UHFFFAOYSA-N
MW360.41 g/mol
LogP4.92
Rot. Bonds5

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

5-(3,4-dimethoxyphenyl)-3-(4-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridine (PubChem CID 59699896) has the molecular formula C22H20N2O3 and a molecular weight of 360.41 g/mol. Its IUPAC name is 5-(3,4-dimethoxyphenyl)-3-(4-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridine.

Molecular Properties

Compound Name5-(3,4-dimethoxyphenyl)-3-(4-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridine
PubChem CID59699896
Molecular FormulaC22H20N2O3
Molecular Weight360.41 g/mol
Exact Mass360.15
IUPAC Name5-(3,4-dimethoxyphenyl)-3-(4-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridine
SMILESCOc1ccc(-c2c[nH]c3ncc(-c4ccc(OC)c(OC)c4)cc23)cc1
InChIInChI=1S/C22H20N2O3/c1-25-17-7-4-14(5-8-17)19-13-24-22-18(19)10-16(12-23-22)15-6-9-20(26-2)21(11-15)27-3/h4-13H,1-3H3,(H,23,24)
InChIKeyPWZJUYIUSIUYGS-UHFFFAOYSA-N
XLogP4.92
TPSA56.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.41
LogP ≤ 54.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(3,4-dimethoxyphenyl)-3-(4-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridine?
The IUPAC name of 5-(3,4-dimethoxyphenyl)-3-(4-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridine (CID 59699896) is 5-(3,4-dimethoxyphenyl)-3-(4-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridine.
What is the SMILES notation for 5-(3,4-dimethoxyphenyl)-3-(4-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridine?
The canonical SMILES for 5-(3,4-dimethoxyphenyl)-3-(4-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridine is COc1ccc(-c2c[nH]c3ncc(-c4ccc(OC)c(OC)c4)cc23)cc1.
What is the InChIKey of 5-(3,4-dimethoxyphenyl)-3-(4-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridine?
The InChIKey is PWZJUYIUSIUYGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N2O3/c1-25-17-7-4-14(5-8-17)19-13-24-22-18(19)10-16(12-23-22)15-6-9-20(26-2)21(11-15)27-3/h4-13H,1-3H3,(H,23,24).
What are the key properties of 5-(3,4-dimethoxyphenyl)-3-(4-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridine?
5-(3,4-dimethoxyphenyl)-3-(4-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridine has a molecular weight of 360.41 g/mol, XLogP of 4.92, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3,4-dimethoxyphenyl)-3-(4-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridine is sourced from PubChem (CID 59699896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).