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

C21H18N2O2 — CID 72792685

IUPAC3,5-bis(4-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridine
SMILESCOc1ccc(-c2cnc3[nH]cc(-c4ccc(OC)cc4)c3c2)cc1
InChIInChI=1S/C21H18N2O2/c1-24-17-7-3-14(4-8-17)16-11-19-20(13-23-21(19)22-12-16)15-5-9-18(25-2)10-6-15/h3-13H,1-2H3,(H,22,23)
InChIKeyYZCFLKRLDGCOPV-UHFFFAOYSA-N
MW330.39 g/mol
LogP4.91
Rot. Bonds4

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

3,5-bis(4-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridine (PubChem CID 72792685) has the molecular formula C21H18N2O2 and a molecular weight of 330.39 g/mol. Its IUPAC name is 3,5-bis(4-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridine.

Molecular Properties

Compound Name3,5-bis(4-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridine
PubChem CID72792685
Molecular FormulaC21H18N2O2
Molecular Weight330.39 g/mol
Exact Mass330.14
IUPAC Name3,5-bis(4-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridine
SMILESCOc1ccc(-c2cnc3[nH]cc(-c4ccc(OC)cc4)c3c2)cc1
InChIInChI=1S/C21H18N2O2/c1-24-17-7-3-14(4-8-17)16-11-19-20(13-23-21(19)22-12-16)15-5-9-18(25-2)10-6-15/h3-13H,1-2H3,(H,22,23)
InChIKeyYZCFLKRLDGCOPV-UHFFFAOYSA-N
XLogP4.91
TPSA47.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.39
LogP ≤ 54.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3,5-bis(4-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridine?
The IUPAC name of 3,5-bis(4-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridine (CID 72792685) is 3,5-bis(4-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridine.
What is the SMILES notation for 3,5-bis(4-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridine?
The canonical SMILES for 3,5-bis(4-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridine is COc1ccc(-c2cnc3[nH]cc(-c4ccc(OC)cc4)c3c2)cc1.
What is the InChIKey of 3,5-bis(4-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridine?
The InChIKey is YZCFLKRLDGCOPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18N2O2/c1-24-17-7-3-14(4-8-17)16-11-19-20(13-23-21(19)22-12-16)15-5-9-18(25-2)10-6-15/h3-13H,1-2H3,(H,22,23).
What are the key properties of 3,5-bis(4-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridine?
3,5-bis(4-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridine has a molecular weight of 330.39 g/mol, XLogP of 4.91, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-bis(4-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridine is sourced from PubChem (CID 72792685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).