5-(3-methoxyphenyl)-2,3,3-trimethylpyrrolo[2,3-b]pyridine

C17H18N2O — CID 59109232

IUPAC5-(3-methoxyphenyl)-2,3,3-trimethylpyrrolo[2,3-b]pyridine
SMILESCOc1cccc(-c2cnc3c(c2)C(C)(C)C(C)=N3)c1
InChIInChI=1S/C17H18N2O/c1-11-17(2,3)15-9-13(10-18-16(15)19-11)12-6-5-7-14(8-12)20-4/h5-10H,1-4H3
InChIKeyOOSOXTXYYUNYOL-UHFFFAOYSA-N
MW266.34 g/mol
LogP4.14
Rot. Bonds2

About 5-(3-methoxyphenyl)-2,3,3-trimethylpyrrolo[2,3-b]pyridine

5-(3-methoxyphenyl)-2,3,3-trimethylpyrrolo[2,3-b]pyridine (PubChem CID 59109232) has the molecular formula C17H18N2O and a molecular weight of 266.34 g/mol. Its IUPAC name is 5-(3-methoxyphenyl)-2,3,3-trimethylpyrrolo[2,3-b]pyridine.

Molecular Properties

Compound Name5-(3-methoxyphenyl)-2,3,3-trimethylpyrrolo[2,3-b]pyridine
PubChem CID59109232
Molecular FormulaC17H18N2O
Molecular Weight266.34 g/mol
Exact Mass266.14
IUPAC Name5-(3-methoxyphenyl)-2,3,3-trimethylpyrrolo[2,3-b]pyridine
SMILESCOc1cccc(-c2cnc3c(c2)C(C)(C)C(C)=N3)c1
InChIInChI=1S/C17H18N2O/c1-11-17(2,3)15-9-13(10-18-16(15)19-11)12-6-5-7-14(8-12)20-4/h5-10H,1-4H3
InChIKeyOOSOXTXYYUNYOL-UHFFFAOYSA-N
XLogP4.14
TPSA34.48 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.34
LogP ≤ 54.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 5-(3-methoxyphenyl)-2,3,3-trimethylpyrrolo[2,3-b]pyridine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Pyrilamine
CID 4992
Pyrilamine hydrochloride
CID 80139
Pyributicarb
CID 93486
3-(5-Methoxy-1H-inden-2-yl)pyridine
CID 6540048
2-Pyridinamine, 4-(4-methoxyphenyl)-
CID 82397500
cis-1-(4-(3-Methoxyphenyl)cyclohexyl)-4-(pyridin-2-yl)piperazine
CID 10020855
2-Amino-6-(4-methoxyphenyl)-5-methyl-4-pyridin-3-ylpyridine-3-carbonitrile
CID 934596
1-[3-(5-Methoxy-3,4-dihydro-naphthalen-1-yl)-propyl]-4-pyridin-2-yl-piperazine
CID 9975973
1-[3-(7-Methoxy-3,4-dihydro-naphthalen-1-yl)-propyl]-4-pyridin-2-yl-piperazine
CID 10248164
[3H]pyrilamine
CID 656400
cis-1-(4-(4-Methoxyphenyl)cyclohexyl)-4-(pyridin-2-yl)piperazine
CID 10383331
2-Amino-4-(3-methoxyphenyl)-6-pyridin-3-ylpyridine-3-carbonitrile
CID 938228

Frequently Asked Questions

What is the IUPAC name of 5-(3-methoxyphenyl)-2,3,3-trimethylpyrrolo[2,3-b]pyridine?
The IUPAC name of 5-(3-methoxyphenyl)-2,3,3-trimethylpyrrolo[2,3-b]pyridine (CID 59109232) is 5-(3-methoxyphenyl)-2,3,3-trimethylpyrrolo[2,3-b]pyridine.
What is the SMILES notation for 5-(3-methoxyphenyl)-2,3,3-trimethylpyrrolo[2,3-b]pyridine?
The canonical SMILES for 5-(3-methoxyphenyl)-2,3,3-trimethylpyrrolo[2,3-b]pyridine is COc1cccc(-c2cnc3c(c2)C(C)(C)C(C)=N3)c1.
What is the InChIKey of 5-(3-methoxyphenyl)-2,3,3-trimethylpyrrolo[2,3-b]pyridine?
The InChIKey is OOSOXTXYYUNYOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O/c1-11-17(2,3)15-9-13(10-18-16(15)19-11)12-6-5-7-14(8-12)20-4/h5-10H,1-4H3.
What are the key properties of 5-(3-methoxyphenyl)-2,3,3-trimethylpyrrolo[2,3-b]pyridine?
5-(3-methoxyphenyl)-2,3,3-trimethylpyrrolo[2,3-b]pyridine has a molecular weight of 266.34 g/mol, XLogP of 4.14, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-methoxyphenyl)-2,3,3-trimethylpyrrolo[2,3-b]pyridine is sourced from PubChem (CID 59109232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).