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

C20H16N2O — CID 72792688

IUPAC5-(2-methoxyphenyl)-3-phenyl-1H-pyrrolo[2,3-b]pyridine
SMILESCOc1ccccc1-c1cnc2[nH]cc(-c3ccccc3)c2c1
InChIInChI=1S/C20H16N2O/c1-23-19-10-6-5-9-16(19)15-11-17-18(13-22-20(17)21-12-15)14-7-3-2-4-8-14/h2-13H,1H3,(H,21,22)
InChIKeyWLSORYWMNHIFJW-UHFFFAOYSA-N
MW300.36 g/mol
LogP4.91
Rot. Bonds3

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

5-(2-methoxyphenyl)-3-phenyl-1H-pyrrolo[2,3-b]pyridine (PubChem CID 72792688) has the molecular formula C20H16N2O and a molecular weight of 300.36 g/mol. Its IUPAC name is 5-(2-methoxyphenyl)-3-phenyl-1H-pyrrolo[2,3-b]pyridine.

Molecular Properties

Compound Name5-(2-methoxyphenyl)-3-phenyl-1H-pyrrolo[2,3-b]pyridine
PubChem CID72792688
Molecular FormulaC20H16N2O
Molecular Weight300.36 g/mol
Exact Mass300.13
IUPAC Name5-(2-methoxyphenyl)-3-phenyl-1H-pyrrolo[2,3-b]pyridine
SMILESCOc1ccccc1-c1cnc2[nH]cc(-c3ccccc3)c2c1
InChIInChI=1S/C20H16N2O/c1-23-19-10-6-5-9-16(19)15-11-17-18(13-22-20(17)21-12-15)14-7-3-2-4-8-14/h2-13H,1H3,(H,21,22)
InChIKeyWLSORYWMNHIFJW-UHFFFAOYSA-N
XLogP4.91
TPSA37.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.36
LogP ≤ 54.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

Plx-5622
CID 52936034
7-Cyclopentyl-5-(4-phenoxy)phenyl-7H-pyrrolo(2,3-d)pyrimidin-4-ylamine
CID 6603792
5-(3-(2-methoxyphenyl)-1H-pyrrolo(2,3-b)pyridin-5-yl)-N,N-dimethylpyridine-3-carboxamide
CID 16750094
Meriolin 3
CID 23727981
6-[(5-Iodo-2-methoxyphenyl)methyl]-5-methylpyrido[2,3-d]pyrimidine-2,4-diamine
CID 6481091
6-phenyl[5H]pyrrolo[2,3-b]pyrazine (aloisine) 36
CID 6538786
Rwj-68354
CID 9819053
5-(4-Phenoxyphenyl)-7-(Tetrahydro-2h-Pyran-4-Yl)-7h-Pyrrolo[2,3-D]pyrimidin-4-Amine
CID 22736361
2-(4-(Butyl(methyl)amino)-6-(2-methoxyphenethylamino)-1,3,5-triazin-2-ylamino)-3-(1H-pyrrolo[2,3-b]pyridin-3-yl)propanamide
CID 23729140
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
2-(4-(2-Methoxyphenethylamino)-6-(methyl((S)-1-phenylethyl)amino)-1,3,5-triazin-2-ylamino)-3-(1H-pyrrolo[2,3-b]pyridin-3-yl)propanamide
CID 24767910
5-[(5-Methoxy-1h-Pyrrolo[2,3-B]pyridin-3-Yl)methyl]-N-[4-(Trifluoromethyl)benzyl]pyridin-2-Amine
CID 59593266

Frequently Asked Questions

What is the IUPAC name of 5-(2-methoxyphenyl)-3-phenyl-1H-pyrrolo[2,3-b]pyridine?
The IUPAC name of 5-(2-methoxyphenyl)-3-phenyl-1H-pyrrolo[2,3-b]pyridine (CID 72792688) is 5-(2-methoxyphenyl)-3-phenyl-1H-pyrrolo[2,3-b]pyridine.
What is the SMILES notation for 5-(2-methoxyphenyl)-3-phenyl-1H-pyrrolo[2,3-b]pyridine?
The canonical SMILES for 5-(2-methoxyphenyl)-3-phenyl-1H-pyrrolo[2,3-b]pyridine is COc1ccccc1-c1cnc2[nH]cc(-c3ccccc3)c2c1.
What is the InChIKey of 5-(2-methoxyphenyl)-3-phenyl-1H-pyrrolo[2,3-b]pyridine?
The InChIKey is WLSORYWMNHIFJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16N2O/c1-23-19-10-6-5-9-16(19)15-11-17-18(13-22-20(17)21-12-15)14-7-3-2-4-8-14/h2-13H,1H3,(H,21,22).
What are the key properties of 5-(2-methoxyphenyl)-3-phenyl-1H-pyrrolo[2,3-b]pyridine?
5-(2-methoxyphenyl)-3-phenyl-1H-pyrrolo[2,3-b]pyridine has a molecular weight of 300.36 g/mol, XLogP of 4.91, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-methoxyphenyl)-3-phenyl-1H-pyrrolo[2,3-b]pyridine is sourced from PubChem (CID 72792688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).