1-(4-methoxyphenyl)-3-methylpyrrolo[2,3-b]pyridine

C15H14N2O — CID 102389456

IUPAC1-(4-methoxyphenyl)-3-methylpyrrolo[2,3-b]pyridine
SMILESCOc1ccc(-n2cc(C)c3cccnc32)cc1
InChIInChI=1S/C15H14N2O/c1-11-10-17(15-14(11)4-3-9-16-15)12-5-7-13(18-2)8-6-12/h3-10H,1-2H3
InChIKeyVWSLWCZAFXQUFK-UHFFFAOYSA-N
MW238.29 g/mol
LogP3.34
Rot. Bonds2

About 1-(4-methoxyphenyl)-3-methylpyrrolo[2,3-b]pyridine

1-(4-methoxyphenyl)-3-methylpyrrolo[2,3-b]pyridine (PubChem CID 102389456) has the molecular formula C15H14N2O and a molecular weight of 238.29 g/mol. Its IUPAC name is 1-(4-methoxyphenyl)-3-methylpyrrolo[2,3-b]pyridine.

Molecular Properties

Compound Name1-(4-methoxyphenyl)-3-methylpyrrolo[2,3-b]pyridine
PubChem CID102389456
Molecular FormulaC15H14N2O
Molecular Weight238.29 g/mol
Exact Mass238.11
IUPAC Name1-(4-methoxyphenyl)-3-methylpyrrolo[2,3-b]pyridine
SMILESCOc1ccc(-n2cc(C)c3cccnc32)cc1
InChIInChI=1S/C15H14N2O/c1-11-10-17(15-14(11)4-3-9-16-15)12-5-7-13(18-2)8-6-12/h3-10H,1-2H3
InChIKeyVWSLWCZAFXQUFK-UHFFFAOYSA-N
XLogP3.34
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.29
LogP ≤ 53.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-methoxyphenyl)-2-methylpyrido[2,3-d]pyrimidin-4-one
CID 15652997
1-(4,5-dimethyl-1H-pyrazol-3-yl)-3-methylpyrrolo[2,3-b]pyridine
CID 154231844
(4-fluoropiperidin-1-yl)-[1-(4-methoxyphenyl)-3-methylpyrrolo[2,3-b]pyridin-5-yl]methanone
CID 170530613
3-(4-methoxyphenyl)-1H-imidazo[4,5-b]pyridine-2-thione
CID 79290028
1-[4-[1-(4-methoxyphenyl)-4-thiophen-2-ylimidazol-2-yl]phenyl]pyrrolo[2,3-b]pyridine
CID 25031192
10-[(4-methoxyphenyl)methyl]pyrido[2,3-b][1,8]naphthyridin-5-one
CID 132515576
3-(4-methoxyphenyl)-2-propan-2-ylimidazo[4,5-b]pyridine
CID 117166531
5-(4-methoxyphenyl)-8-oxa-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,10,12-pentaen-6-one
CID 155806521
4-(4-methoxyphenyl)-3-methyl-1,2,4-triazole
CID 13019909
CID 172687865
CID 172687865
[methyl-(3-methylpyrrolo[2,3-b]pyridin-1-yl)phosphanyl] thiohypoiodite
CID 143712701
3-(4-methoxyphenyl)phenanthro[9,10-d]imidazole
CID 175875241

Frequently Asked Questions

What is the IUPAC name of 1-(4-methoxyphenyl)-3-methylpyrrolo[2,3-b]pyridine?
The IUPAC name of 1-(4-methoxyphenyl)-3-methylpyrrolo[2,3-b]pyridine (CID 102389456) is 1-(4-methoxyphenyl)-3-methylpyrrolo[2,3-b]pyridine.
What is the SMILES notation for 1-(4-methoxyphenyl)-3-methylpyrrolo[2,3-b]pyridine?
The canonical SMILES for 1-(4-methoxyphenyl)-3-methylpyrrolo[2,3-b]pyridine is COc1ccc(-n2cc(C)c3cccnc32)cc1.
What is the InChIKey of 1-(4-methoxyphenyl)-3-methylpyrrolo[2,3-b]pyridine?
The InChIKey is VWSLWCZAFXQUFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N2O/c1-11-10-17(15-14(11)4-3-9-16-15)12-5-7-13(18-2)8-6-12/h3-10H,1-2H3.
What are the key properties of 1-(4-methoxyphenyl)-3-methylpyrrolo[2,3-b]pyridine?
1-(4-methoxyphenyl)-3-methylpyrrolo[2,3-b]pyridine has a molecular weight of 238.29 g/mol, XLogP of 3.34, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methoxyphenyl)-3-methylpyrrolo[2,3-b]pyridine is sourced from PubChem (CID 102389456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).