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

C18H20N4O — CID 174608249

IUPAC5-(2-methoxyphenyl)-4-piperazin-1-yl-1H-pyrrolo[2,3-b]pyridine
SMILESCOc1ccccc1-c1cnc2[nH]ccc2c1N1CCNCC1
InChIInChI=1S/C18H20N4O/c1-23-16-5-3-2-4-13(16)15-12-21-18-14(6-7-20-18)17(15)22-10-8-19-9-11-22/h2-7,12,19H,8-11H2,1H3,(H,20,21)
InChIKeyYLQXVLYPZGDKEZ-UHFFFAOYSA-N
MW308.38 g/mol
LogP2.65
Rot. Bonds3

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

5-(2-methoxyphenyl)-4-piperazin-1-yl-1H-pyrrolo[2,3-b]pyridine (PubChem CID 174608249) has the molecular formula C18H20N4O and a molecular weight of 308.38 g/mol. Its IUPAC name is 5-(2-methoxyphenyl)-4-piperazin-1-yl-1H-pyrrolo[2,3-b]pyridine.

Molecular Properties

Compound Name5-(2-methoxyphenyl)-4-piperazin-1-yl-1H-pyrrolo[2,3-b]pyridine
PubChem CID174608249
Molecular FormulaC18H20N4O
Molecular Weight308.38 g/mol
Exact Mass308.16
IUPAC Name5-(2-methoxyphenyl)-4-piperazin-1-yl-1H-pyrrolo[2,3-b]pyridine
SMILESCOc1ccccc1-c1cnc2[nH]ccc2c1N1CCNCC1
InChIInChI=1S/C18H20N4O/c1-23-16-5-3-2-4-13(16)15-12-21-18-14(6-7-20-18)17(15)22-10-8-19-9-11-22/h2-7,12,19H,8-11H2,1H3,(H,20,21)
InChIKeyYLQXVLYPZGDKEZ-UHFFFAOYSA-N
XLogP2.65
TPSA53.18 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.38
LogP ≤ 52.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 5-(2-methoxyphenyl)-4-piperazin-1-yl-1H-pyrrolo[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

Frequently Asked Questions

What is the IUPAC name of 5-(2-methoxyphenyl)-4-piperazin-1-yl-1H-pyrrolo[2,3-b]pyridine?
The IUPAC name of 5-(2-methoxyphenyl)-4-piperazin-1-yl-1H-pyrrolo[2,3-b]pyridine (CID 174608249) is 5-(2-methoxyphenyl)-4-piperazin-1-yl-1H-pyrrolo[2,3-b]pyridine.
What is the SMILES notation for 5-(2-methoxyphenyl)-4-piperazin-1-yl-1H-pyrrolo[2,3-b]pyridine?
The canonical SMILES for 5-(2-methoxyphenyl)-4-piperazin-1-yl-1H-pyrrolo[2,3-b]pyridine is COc1ccccc1-c1cnc2[nH]ccc2c1N1CCNCC1.
What is the InChIKey of 5-(2-methoxyphenyl)-4-piperazin-1-yl-1H-pyrrolo[2,3-b]pyridine?
The InChIKey is YLQXVLYPZGDKEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N4O/c1-23-16-5-3-2-4-13(16)15-12-21-18-14(6-7-20-18)17(15)22-10-8-19-9-11-22/h2-7,12,19H,8-11H2,1H3,(H,20,21).
What are the key properties of 5-(2-methoxyphenyl)-4-piperazin-1-yl-1H-pyrrolo[2,3-b]pyridine?
5-(2-methoxyphenyl)-4-piperazin-1-yl-1H-pyrrolo[2,3-b]pyridine has a molecular weight of 308.38 g/mol, XLogP of 2.65, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-methoxyphenyl)-4-piperazin-1-yl-1H-pyrrolo[2,3-b]pyridine is sourced from PubChem (CID 174608249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).