2-[4-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propoxy]phenyl]-7-methylimidazo[1,2-a]pyridine

C28H32N4O2 — CID 23625540

IUPAC2-[4-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propoxy]phenyl]-7-methylimidazo[1,2-a]pyridine
SMILESCOc1ccccc1N1CCN(CCCOc2ccc(-c3cn4ccc(C)cc4n3)cc2)CC1
InChIInChI=1S/C28H32N4O2/c1-22-12-14-32-21-25(29-28(32)20-22)23-8-10-24(11-9-23)34-19-5-13-30-15-17-31(18-16-30)26-6-3-4-7-27(26)33-2/h3-4,6-12,14,20-21H,5,13,15-19H2,1-2H3
InChIKeyNTRYGIZSQHIHMD-UHFFFAOYSA-N
MW456.59 g/mol
LogP4.91
Rot. Bonds8

About 2-[4-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propoxy]phenyl]-7-methylimidazo[1,2-a]pyridine

2-[4-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propoxy]phenyl]-7-methylimidazo[1,2-a]pyridine (PubChem CID 23625540) has the molecular formula C28H32N4O2 and a molecular weight of 456.59 g/mol. Its IUPAC name is 2-[4-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propoxy]phenyl]-7-methylimidazo[1,2-a]pyridine.

Molecular Properties

Compound Name2-[4-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propoxy]phenyl]-7-methylimidazo[1,2-a]pyridine
PubChem CID23625540
Molecular FormulaC28H32N4O2
Molecular Weight456.59 g/mol
Exact Mass456.25
IUPAC Name2-[4-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propoxy]phenyl]-7-methylimidazo[1,2-a]pyridine
SMILESCOc1ccccc1N1CCN(CCCOc2ccc(-c3cn4ccc(C)cc4n3)cc2)CC1
InChIInChI=1S/C28H32N4O2/c1-22-12-14-32-21-25(29-28(32)20-22)23-8-10-24(11-9-23)34-19-5-13-30-15-17-31(18-16-30)26-6-3-4-7-27(26)33-2/h3-4,6-12,14,20-21H,5,13,15-19H2,1-2H3
InChIKeyNTRYGIZSQHIHMD-UHFFFAOYSA-N
XLogP4.91
TPSA42.24 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500456.59
LogP ≤ 54.91
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]-7-methylimidazo[1,2-a]pyridine?
The IUPAC name of 2-[4-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propoxy]phenyl]-7-methylimidazo[1,2-a]pyridine (CID 23625540) is 2-[4-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propoxy]phenyl]-7-methylimidazo[1,2-a]pyridine.
What is the SMILES notation for 2-[4-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propoxy]phenyl]-7-methylimidazo[1,2-a]pyridine?
The canonical SMILES for 2-[4-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propoxy]phenyl]-7-methylimidazo[1,2-a]pyridine is COc1ccccc1N1CCN(CCCOc2ccc(-c3cn4ccc(C)cc4n3)cc2)CC1.
What is the InChIKey of 2-[4-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propoxy]phenyl]-7-methylimidazo[1,2-a]pyridine?
The InChIKey is NTRYGIZSQHIHMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H32N4O2/c1-22-12-14-32-21-25(29-28(32)20-22)23-8-10-24(11-9-23)34-19-5-13-30-15-17-31(18-16-30)26-6-3-4-7-27(26)33-2/h3-4,6-12,14,20-21H,5,13,15-19H2,1-2H3.
What are the key properties of 2-[4-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propoxy]phenyl]-7-methylimidazo[1,2-a]pyridine?
2-[4-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propoxy]phenyl]-7-methylimidazo[1,2-a]pyridine has a molecular weight of 456.59 g/mol, XLogP of 4.91, 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]-7-methylimidazo[1,2-a]pyridine is sourced from PubChem (CID 23625540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).