2-[4-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propoxy]phenyl]imidazo[1,2-a]pyridine

C27H30N4O2 — CID 10551197

IUPAC2-[4-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propoxy]phenyl]imidazo[1,2-a]pyridine
SMILESCOc1ccccc1N1CCN(CCCOc2ccc(-c3cn4ccccc4n3)cc2)CC1
InChIInChI=1S/C27H30N4O2/c1-32-26-8-3-2-7-25(26)30-18-16-29(17-19-30)14-6-20-33-23-12-10-22(11-13-23)24-21-31-15-5-4-9-27(31)28-24/h2-5,7-13,15,21H,6,14,16-20H2,1H3
InChIKeyLNFJZMYMJHIQPZ-UHFFFAOYSA-N
MW442.56 g/mol
LogP4.60
Rot. Bonds8

About 2-[4-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propoxy]phenyl]imidazo[1,2-a]pyridine

2-[4-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propoxy]phenyl]imidazo[1,2-a]pyridine (PubChem CID 10551197) has the molecular formula C27H30N4O2 and a molecular weight of 442.56 g/mol. Its IUPAC name is 2-[4-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propoxy]phenyl]imidazo[1,2-a]pyridine.

Molecular Properties

Compound Name2-[4-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propoxy]phenyl]imidazo[1,2-a]pyridine
PubChem CID10551197
Molecular FormulaC27H30N4O2
Molecular Weight442.56 g/mol
Exact Mass442.24
IUPAC Name2-[4-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propoxy]phenyl]imidazo[1,2-a]pyridine
SMILESCOc1ccccc1N1CCN(CCCOc2ccc(-c3cn4ccccc4n3)cc2)CC1
InChIInChI=1S/C27H30N4O2/c1-32-26-8-3-2-7-25(26)30-18-16-29(17-19-30)14-6-20-33-23-12-10-22(11-13-23)24-21-31-15-5-4-9-27(31)28-24/h2-5,7-13,15,21H,6,14,16-20H2,1H3
InChIKeyLNFJZMYMJHIQPZ-UHFFFAOYSA-N
XLogP4.60
TPSA42.24 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.56
LogP ≤ 54.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propoxy]phenyl]imidazo[1,2-a]pyridine?
The IUPAC name of 2-[4-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propoxy]phenyl]imidazo[1,2-a]pyridine (CID 10551197) is 2-[4-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propoxy]phenyl]imidazo[1,2-a]pyridine.
What is the SMILES notation for 2-[4-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propoxy]phenyl]imidazo[1,2-a]pyridine?
The canonical SMILES for 2-[4-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propoxy]phenyl]imidazo[1,2-a]pyridine is COc1ccccc1N1CCN(CCCOc2ccc(-c3cn4ccccc4n3)cc2)CC1.
What is the InChIKey of 2-[4-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propoxy]phenyl]imidazo[1,2-a]pyridine?
The InChIKey is LNFJZMYMJHIQPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H30N4O2/c1-32-26-8-3-2-7-25(26)30-18-16-29(17-19-30)14-6-20-33-23-12-10-22(11-13-23)24-21-31-15-5-4-9-27(31)28-24/h2-5,7-13,15,21H,6,14,16-20H2,1H3.
What are the key properties of 2-[4-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propoxy]phenyl]imidazo[1,2-a]pyridine?
2-[4-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propoxy]phenyl]imidazo[1,2-a]pyridine has a molecular weight of 442.56 g/mol, XLogP of 4.60, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propoxy]phenyl]imidazo[1,2-a]pyridine is sourced from PubChem (CID 10551197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).