3-[(2-methoxyphenyl)methyl]-2-methyl-7-piperazin-1-ylimidazo[4,5-b]pyridine

C19H23N5O — CID 126720389

IUPAC3-[(2-methoxyphenyl)methyl]-2-methyl-7-piperazin-1-ylimidazo[4,5-b]pyridine
SMILESCOc1ccccc1Cn1c(C)nc2c(N3CCNCC3)ccnc21
InChIInChI=1S/C19H23N5O/c1-14-22-18-16(23-11-9-20-10-12-23)7-8-21-19(18)24(14)13-15-5-3-4-6-17(15)25-2/h3-8,20H,9-13H2,1-2H3
InChIKeyAGTXDSXXULSBDI-UHFFFAOYSA-N
MW337.43 g/mol
LogP2.21
Rot. Bonds4

About 3-[(2-methoxyphenyl)methyl]-2-methyl-7-piperazin-1-ylimidazo[4,5-b]pyridine

3-[(2-methoxyphenyl)methyl]-2-methyl-7-piperazin-1-ylimidazo[4,5-b]pyridine (PubChem CID 126720389) has the molecular formula C19H23N5O and a molecular weight of 337.43 g/mol. Its IUPAC name is 3-[(2-methoxyphenyl)methyl]-2-methyl-7-piperazin-1-ylimidazo[4,5-b]pyridine.

Molecular Properties

Compound Name3-[(2-methoxyphenyl)methyl]-2-methyl-7-piperazin-1-ylimidazo[4,5-b]pyridine
PubChem CID126720389
Molecular FormulaC19H23N5O
Molecular Weight337.43 g/mol
Exact Mass337.19
IUPAC Name3-[(2-methoxyphenyl)methyl]-2-methyl-7-piperazin-1-ylimidazo[4,5-b]pyridine
SMILESCOc1ccccc1Cn1c(C)nc2c(N3CCNCC3)ccnc21
InChIInChI=1S/C19H23N5O/c1-14-22-18-16(23-11-9-20-10-12-23)7-8-21-19(18)24(14)13-15-5-3-4-6-17(15)25-2/h3-8,20H,9-13H2,1-2H3
InChIKeyAGTXDSXXULSBDI-UHFFFAOYSA-N
XLogP2.21
TPSA55.21 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.43
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 3-[(2-methoxyphenyl)methyl]-2-methyl-7-piperazin-1-ylimidazo[4,5-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 3-[(2-methoxyphenyl)methyl]-2-methyl-7-piperazin-1-ylimidazo[4,5-b]pyridine?
The IUPAC name of 3-[(2-methoxyphenyl)methyl]-2-methyl-7-piperazin-1-ylimidazo[4,5-b]pyridine (CID 126720389) is 3-[(2-methoxyphenyl)methyl]-2-methyl-7-piperazin-1-ylimidazo[4,5-b]pyridine.
What is the SMILES notation for 3-[(2-methoxyphenyl)methyl]-2-methyl-7-piperazin-1-ylimidazo[4,5-b]pyridine?
The canonical SMILES for 3-[(2-methoxyphenyl)methyl]-2-methyl-7-piperazin-1-ylimidazo[4,5-b]pyridine is COc1ccccc1Cn1c(C)nc2c(N3CCNCC3)ccnc21.
What is the InChIKey of 3-[(2-methoxyphenyl)methyl]-2-methyl-7-piperazin-1-ylimidazo[4,5-b]pyridine?
The InChIKey is AGTXDSXXULSBDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N5O/c1-14-22-18-16(23-11-9-20-10-12-23)7-8-21-19(18)24(14)13-15-5-3-4-6-17(15)25-2/h3-8,20H,9-13H2,1-2H3.
What are the key properties of 3-[(2-methoxyphenyl)methyl]-2-methyl-7-piperazin-1-ylimidazo[4,5-b]pyridine?
3-[(2-methoxyphenyl)methyl]-2-methyl-7-piperazin-1-ylimidazo[4,5-b]pyridine has a molecular weight of 337.43 g/mol, XLogP of 2.21, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-methoxyphenyl)methyl]-2-methyl-7-piperazin-1-ylimidazo[4,5-b]pyridine is sourced from PubChem (CID 126720389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).