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

C21H18N2O2 — CID 118709543

IUPAC3-(3,4-dimethoxyphenyl)-5-phenyl-1H-pyrrolo[2,3-b]pyridine
SMILESCOc1ccc(-c2c[nH]c3ncc(-c4ccccc4)cc23)cc1OC
InChIInChI=1S/C21H18N2O2/c1-24-19-9-8-15(11-20(19)25-2)18-13-23-21-17(18)10-16(12-22-21)14-6-4-3-5-7-14/h3-13H,1-2H3,(H,22,23)
InChIKeyNDXSKCMEGUYTPF-UHFFFAOYSA-N
MW330.39 g/mol
LogP4.91
Rot. Bonds4

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

3-(3,4-dimethoxyphenyl)-5-phenyl-1H-pyrrolo[2,3-b]pyridine (PubChem CID 118709543) has the molecular formula C21H18N2O2 and a molecular weight of 330.39 g/mol. Its IUPAC name is 3-(3,4-dimethoxyphenyl)-5-phenyl-1H-pyrrolo[2,3-b]pyridine.

Molecular Properties

Compound Name3-(3,4-dimethoxyphenyl)-5-phenyl-1H-pyrrolo[2,3-b]pyridine
PubChem CID118709543
Molecular FormulaC21H18N2O2
Molecular Weight330.39 g/mol
Exact Mass330.14
IUPAC Name3-(3,4-dimethoxyphenyl)-5-phenyl-1H-pyrrolo[2,3-b]pyridine
SMILESCOc1ccc(-c2c[nH]c3ncc(-c4ccccc4)cc23)cc1OC
InChIInChI=1S/C21H18N2O2/c1-24-19-9-8-15(11-20(19)25-2)18-13-23-21-17(18)10-16(12-22-21)14-6-4-3-5-7-14/h3-13H,1-2H3,(H,22,23)
InChIKeyNDXSKCMEGUYTPF-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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Related Compounds

6-(3,4-dimethoxyphenyl)-7-methyl-5H-pyrrolo[2,3-b]pyrazine
CID 6538783
N2-(2-(1H-Pyrrolo[2,3-b]pyridin-3-yl)ethyl)-N4-butyl-N6-(2-methoxyphenethyl)-N4-methyl-1,3,5-triazine-2,4,6-triamine
CID 24767906
5-[5-(3,4,5-trimethoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-1H-indole
CID 46236221
4-[3-(4-hydroxyphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]benzene-1,2-diol
CID 72792831
3-(3-methoxybenzyl)-1H-pyrrolo(2,3-b)pyridine
CID 24180722
7-Isopropyl-5-(4-phenoxy-phenyl)-7H-pyrrolo[2,3-d]pyrimidin-4-ylamine
CID 19597433
7-tert-butyl-5-[4-(4-methoxyphenoxy)phenyl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine
CID 19597465
(E)-3-[3-(4-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-N-(pyridin-4-ylmethyl)prop-2-enamide
CID 155533282
(r)-6-(4-Methoxyphenyl)-n-(1-phenylethyl)-7h-pyrrolo[2,3-d]pyrimidin-4-amine
CID 53759588
AAK1-IN-21b
CID 138393295
3-(3,4-dimethoxyphenyl)-5-N-(1-methylpiperidin-4-yl)-6-phenylpyrazolo[1,5-a]pyrimidine-5,7-diamine
CID 145946131
N~6~-[2-(3,4-dimethoxyphenyl)ethyl]-9H-purine-2,6-diamine
CID 16409604

Frequently Asked Questions

What is the IUPAC name of 3-(3,4-dimethoxyphenyl)-5-phenyl-1H-pyrrolo[2,3-b]pyridine?
The IUPAC name of 3-(3,4-dimethoxyphenyl)-5-phenyl-1H-pyrrolo[2,3-b]pyridine (CID 118709543) is 3-(3,4-dimethoxyphenyl)-5-phenyl-1H-pyrrolo[2,3-b]pyridine.
What is the SMILES notation for 3-(3,4-dimethoxyphenyl)-5-phenyl-1H-pyrrolo[2,3-b]pyridine?
The canonical SMILES for 3-(3,4-dimethoxyphenyl)-5-phenyl-1H-pyrrolo[2,3-b]pyridine is COc1ccc(-c2c[nH]c3ncc(-c4ccccc4)cc23)cc1OC.
What is the InChIKey of 3-(3,4-dimethoxyphenyl)-5-phenyl-1H-pyrrolo[2,3-b]pyridine?
The InChIKey is NDXSKCMEGUYTPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18N2O2/c1-24-19-9-8-15(11-20(19)25-2)18-13-23-21-17(18)10-16(12-22-21)14-6-4-3-5-7-14/h3-13H,1-2H3,(H,22,23).
What are the key properties of 3-(3,4-dimethoxyphenyl)-5-phenyl-1H-pyrrolo[2,3-b]pyridine?
3-(3,4-dimethoxyphenyl)-5-phenyl-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-(3,4-dimethoxyphenyl)-5-phenyl-1H-pyrrolo[2,3-b]pyridine is sourced from PubChem (CID 118709543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).