2-[4-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butoxy]phenyl]-8-methylimidazo[1,2-a]pyridine

C29H34N4O2 — CID 23625706

IUPAC2-[4-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butoxy]phenyl]-8-methylimidazo[1,2-a]pyridine
SMILESCOc1ccccc1N1CCN(CCCCOc2ccc(-c3cn4cccc(C)c4n3)cc2)CC1
InChIInChI=1S/C29H34N4O2/c1-23-8-7-16-33-22-26(30-29(23)33)24-11-13-25(14-12-24)35-21-6-5-15-31-17-19-32(20-18-31)27-9-3-4-10-28(27)34-2/h3-4,7-14,16,22H,5-6,15,17-21H2,1-2H3
InChIKeyDZWGDUHDXDFOQC-UHFFFAOYSA-N
MW470.62 g/mol
LogP5.30
Rot. Bonds9

About 2-[4-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butoxy]phenyl]-8-methylimidazo[1,2-a]pyridine

2-[4-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butoxy]phenyl]-8-methylimidazo[1,2-a]pyridine (PubChem CID 23625706) has the molecular formula C29H34N4O2 and a molecular weight of 470.62 g/mol. Its IUPAC name is 2-[4-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butoxy]phenyl]-8-methylimidazo[1,2-a]pyridine.

Molecular Properties

Compound Name2-[4-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butoxy]phenyl]-8-methylimidazo[1,2-a]pyridine
PubChem CID23625706
Molecular FormulaC29H34N4O2
Molecular Weight470.62 g/mol
Exact Mass470.27
IUPAC Name2-[4-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butoxy]phenyl]-8-methylimidazo[1,2-a]pyridine
SMILESCOc1ccccc1N1CCN(CCCCOc2ccc(-c3cn4cccc(C)c4n3)cc2)CC1
InChIInChI=1S/C29H34N4O2/c1-23-8-7-16-33-22-26(30-29(23)33)24-11-13-25(14-12-24)35-21-6-5-15-31-17-19-32(20-18-31)27-9-3-4-10-28(27)34-2/h3-4,7-14,16,22H,5-6,15,17-21H2,1-2H3
InChIKeyDZWGDUHDXDFOQC-UHFFFAOYSA-N
XLogP5.30
TPSA42.24 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500470.62
LogP ≤ 55.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 2-[4-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butoxy]phenyl]-8-methylimidazo[1,2-a]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 2-[4-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butoxy]phenyl]-8-methylimidazo[1,2-a]pyridine?
The IUPAC name of 2-[4-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butoxy]phenyl]-8-methylimidazo[1,2-a]pyridine (CID 23625706) is 2-[4-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butoxy]phenyl]-8-methylimidazo[1,2-a]pyridine.
What is the SMILES notation for 2-[4-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butoxy]phenyl]-8-methylimidazo[1,2-a]pyridine?
The canonical SMILES for 2-[4-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butoxy]phenyl]-8-methylimidazo[1,2-a]pyridine is COc1ccccc1N1CCN(CCCCOc2ccc(-c3cn4cccc(C)c4n3)cc2)CC1.
What is the InChIKey of 2-[4-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butoxy]phenyl]-8-methylimidazo[1,2-a]pyridine?
The InChIKey is DZWGDUHDXDFOQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H34N4O2/c1-23-8-7-16-33-22-26(30-29(23)33)24-11-13-25(14-12-24)35-21-6-5-15-31-17-19-32(20-18-31)27-9-3-4-10-28(27)34-2/h3-4,7-14,16,22H,5-6,15,17-21H2,1-2H3.
What are the key properties of 2-[4-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butoxy]phenyl]-8-methylimidazo[1,2-a]pyridine?
2-[4-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butoxy]phenyl]-8-methylimidazo[1,2-a]pyridine has a molecular weight of 470.62 g/mol, XLogP of 5.30, 9 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butoxy]phenyl]-8-methylimidazo[1,2-a]pyridine is sourced from PubChem (CID 23625706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).