5-(4-methylpiperazin-1-yl)-2-(4-phenylmethoxyphenyl)-1H-imidazo[4,5-b]pyridine

C24H25N5O — CID 90368228

IUPAC5-(4-methylpiperazin-1-yl)-2-(4-phenylmethoxyphenyl)-1H-imidazo[4,5-b]pyridine
SMILESCN1CCN(c2ccc3[nH]c(-c4ccc(OCc5ccccc5)cc4)nc3n2)CC1
InChIInChI=1S/C24H25N5O/c1-28-13-15-29(16-14-28)22-12-11-21-24(26-22)27-23(25-21)19-7-9-20(10-8-19)30-17-18-5-3-2-4-6-18/h2-12H,13-17H2,1H3,(H,25,26,27)
InChIKeyDGPCOHPNTUJVQC-UHFFFAOYSA-N
MW399.50 g/mol
LogP3.96
Rot. Bonds5

About 5-(4-methylpiperazin-1-yl)-2-(4-phenylmethoxyphenyl)-1H-imidazo[4,5-b]pyridine

5-(4-methylpiperazin-1-yl)-2-(4-phenylmethoxyphenyl)-1H-imidazo[4,5-b]pyridine (PubChem CID 90368228) has the molecular formula C24H25N5O and a molecular weight of 399.50 g/mol. Its IUPAC name is 5-(4-methylpiperazin-1-yl)-2-(4-phenylmethoxyphenyl)-1H-imidazo[4,5-b]pyridine.

Molecular Properties

Compound Name5-(4-methylpiperazin-1-yl)-2-(4-phenylmethoxyphenyl)-1H-imidazo[4,5-b]pyridine
PubChem CID90368228
Molecular FormulaC24H25N5O
Molecular Weight399.50 g/mol
Exact Mass399.21
IUPAC Name5-(4-methylpiperazin-1-yl)-2-(4-phenylmethoxyphenyl)-1H-imidazo[4,5-b]pyridine
SMILESCN1CCN(c2ccc3[nH]c(-c4ccc(OCc5ccccc5)cc4)nc3n2)CC1
InChIInChI=1S/C24H25N5O/c1-28-13-15-29(16-14-28)22-12-11-21-24(26-22)27-23(25-21)19-7-9-20(10-8-19)30-17-18-5-3-2-4-6-18/h2-12H,13-17H2,1H3,(H,25,26,27)
InChIKeyDGPCOHPNTUJVQC-UHFFFAOYSA-N
XLogP3.96
TPSA57.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.50
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 5-(4-methylpiperazin-1-yl)-2-(4-phenylmethoxyphenyl)-1H-imidazo[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 5-(4-methylpiperazin-1-yl)-2-(4-phenylmethoxyphenyl)-1H-imidazo[4,5-b]pyridine?
The IUPAC name of 5-(4-methylpiperazin-1-yl)-2-(4-phenylmethoxyphenyl)-1H-imidazo[4,5-b]pyridine (CID 90368228) is 5-(4-methylpiperazin-1-yl)-2-(4-phenylmethoxyphenyl)-1H-imidazo[4,5-b]pyridine.
What is the SMILES notation for 5-(4-methylpiperazin-1-yl)-2-(4-phenylmethoxyphenyl)-1H-imidazo[4,5-b]pyridine?
The canonical SMILES for 5-(4-methylpiperazin-1-yl)-2-(4-phenylmethoxyphenyl)-1H-imidazo[4,5-b]pyridine is CN1CCN(c2ccc3[nH]c(-c4ccc(OCc5ccccc5)cc4)nc3n2)CC1.
What is the InChIKey of 5-(4-methylpiperazin-1-yl)-2-(4-phenylmethoxyphenyl)-1H-imidazo[4,5-b]pyridine?
The InChIKey is DGPCOHPNTUJVQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N5O/c1-28-13-15-29(16-14-28)22-12-11-21-24(26-22)27-23(25-21)19-7-9-20(10-8-19)30-17-18-5-3-2-4-6-18/h2-12H,13-17H2,1H3,(H,25,26,27).
What are the key properties of 5-(4-methylpiperazin-1-yl)-2-(4-phenylmethoxyphenyl)-1H-imidazo[4,5-b]pyridine?
5-(4-methylpiperazin-1-yl)-2-(4-phenylmethoxyphenyl)-1H-imidazo[4,5-b]pyridine has a molecular weight of 399.50 g/mol, XLogP of 3.96, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-methylpiperazin-1-yl)-2-(4-phenylmethoxyphenyl)-1H-imidazo[4,5-b]pyridine is sourced from PubChem (CID 90368228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).