2-[[4-[(6-chloro-4H-1,3-benzodioxin-8-yl)methyl]piperazin-1-yl]methyl]imidazo[1,2-a]pyridine

C21H23ClN4O2 — CID 86915603

IUPAC2-[[4-[(6-chloro-4H-1,3-benzodioxin-8-yl)methyl]piperazin-1-yl]methyl]imidazo[1,2-a]pyridine
SMILESClc1cc2c(c(CN3CCN(Cc4cn5ccccc5n4)CC3)c1)OCOC2
InChIInChI=1S/C21H23ClN4O2/c22-18-9-16(21-17(10-18)14-27-15-28-21)11-24-5-7-25(8-6-24)12-19-13-26-4-2-1-3-20(26)23-19/h1-4,9-10,13H,5-8,11-12,14-15H2
InChIKeyJYKXQXHRIDIEPL-UHFFFAOYSA-N
MW398.89 g/mol
LogP3.17
Rot. Bonds4

About 2-[[4-[(6-chloro-4H-1,3-benzodioxin-8-yl)methyl]piperazin-1-yl]methyl]imidazo[1,2-a]pyridine

2-[[4-[(6-chloro-4H-1,3-benzodioxin-8-yl)methyl]piperazin-1-yl]methyl]imidazo[1,2-a]pyridine (PubChem CID 86915603) has the molecular formula C21H23ClN4O2 and a molecular weight of 398.89 g/mol. Its IUPAC name is 2-[[4-[(6-chloro-4H-1,3-benzodioxin-8-yl)methyl]piperazin-1-yl]methyl]imidazo[1,2-a]pyridine.

Molecular Properties

Compound Name2-[[4-[(6-chloro-4H-1,3-benzodioxin-8-yl)methyl]piperazin-1-yl]methyl]imidazo[1,2-a]pyridine
PubChem CID86915603
Molecular FormulaC21H23ClN4O2
Molecular Weight398.89 g/mol
Exact Mass398.15
IUPAC Name2-[[4-[(6-chloro-4H-1,3-benzodioxin-8-yl)methyl]piperazin-1-yl]methyl]imidazo[1,2-a]pyridine
SMILESClc1cc2c(c(CN3CCN(Cc4cn5ccccc5n4)CC3)c1)OCOC2
InChIInChI=1S/C21H23ClN4O2/c22-18-9-16(21-17(10-18)14-27-15-28-21)11-24-5-7-25(8-6-24)12-19-13-26-4-2-1-3-20(26)23-19/h1-4,9-10,13H,5-8,11-12,14-15H2
InChIKeyJYKXQXHRIDIEPL-UHFFFAOYSA-N
XLogP3.17
TPSA42.24 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.89
LogP ≤ 53.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 2-[[4-[(6-chloro-4H-1,3-benzodioxin-8-yl)methyl]piperazin-1-yl]methyl]imidazo[1,2-a]pyridine with MolForge

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Related Compounds

CID 135281233
CID 135281233
CID 135281382
CID 135281382
CID 135281763
CID 135281763
CID 135281902
CID 135281902
CID 135334884
CID 135334884
CID 135334909
CID 135334909
CID 135334921
CID 135334921
CID 135334935
CID 135334935
CID 135334949
CID 135334949
CID 135334991
CID 135334991
CID 135335054
CID 135335054
CID 135335075
CID 135335075

Frequently Asked Questions

What is the IUPAC name of 2-[[4-[(6-chloro-4H-1,3-benzodioxin-8-yl)methyl]piperazin-1-yl]methyl]imidazo[1,2-a]pyridine?
The IUPAC name of 2-[[4-[(6-chloro-4H-1,3-benzodioxin-8-yl)methyl]piperazin-1-yl]methyl]imidazo[1,2-a]pyridine (CID 86915603) is 2-[[4-[(6-chloro-4H-1,3-benzodioxin-8-yl)methyl]piperazin-1-yl]methyl]imidazo[1,2-a]pyridine.
What is the SMILES notation for 2-[[4-[(6-chloro-4H-1,3-benzodioxin-8-yl)methyl]piperazin-1-yl]methyl]imidazo[1,2-a]pyridine?
The canonical SMILES for 2-[[4-[(6-chloro-4H-1,3-benzodioxin-8-yl)methyl]piperazin-1-yl]methyl]imidazo[1,2-a]pyridine is Clc1cc2c(c(CN3CCN(Cc4cn5ccccc5n4)CC3)c1)OCOC2.
What is the InChIKey of 2-[[4-[(6-chloro-4H-1,3-benzodioxin-8-yl)methyl]piperazin-1-yl]methyl]imidazo[1,2-a]pyridine?
The InChIKey is JYKXQXHRIDIEPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23ClN4O2/c22-18-9-16(21-17(10-18)14-27-15-28-21)11-24-5-7-25(8-6-24)12-19-13-26-4-2-1-3-20(26)23-19/h1-4,9-10,13H,5-8,11-12,14-15H2.
What are the key properties of 2-[[4-[(6-chloro-4H-1,3-benzodioxin-8-yl)methyl]piperazin-1-yl]methyl]imidazo[1,2-a]pyridine?
2-[[4-[(6-chloro-4H-1,3-benzodioxin-8-yl)methyl]piperazin-1-yl]methyl]imidazo[1,2-a]pyridine has a molecular weight of 398.89 g/mol, XLogP of 3.17, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-[(6-chloro-4H-1,3-benzodioxin-8-yl)methyl]piperazin-1-yl]methyl]imidazo[1,2-a]pyridine is sourced from PubChem (CID 86915603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).