6-chloro-7-(2-fluoro-6-methoxyphenyl)-3-piperazin-1-ylimidazo[1,2-a]pyridine

C18H18ClFN4O — CID 138500851

IUPAC6-chloro-7-(2-fluoro-6-methoxyphenyl)-3-piperazin-1-ylimidazo[1,2-a]pyridine
SMILESCOc1cccc(F)c1-c1cc2ncc(N3CCNCC3)n2cc1Cl
InChIInChI=1S/C18H18ClFN4O/c1-25-15-4-2-3-14(20)18(15)12-9-16-22-10-17(24(16)11-13(12)19)23-7-5-21-6-8-23/h2-4,9-11,21H,5-8H2,1H3
InChIKeyMXAFPDYHXQJTFH-UHFFFAOYSA-N
MW360.82 g/mol
LogP3.21
Rot. Bonds3

About 6-chloro-7-(2-fluoro-6-methoxyphenyl)-3-piperazin-1-ylimidazo[1,2-a]pyridine

6-chloro-7-(2-fluoro-6-methoxyphenyl)-3-piperazin-1-ylimidazo[1,2-a]pyridine (PubChem CID 138500851) has the molecular formula C18H18ClFN4O and a molecular weight of 360.82 g/mol. Its IUPAC name is 6-chloro-7-(2-fluoro-6-methoxyphenyl)-3-piperazin-1-ylimidazo[1,2-a]pyridine.

Molecular Properties

Compound Name6-chloro-7-(2-fluoro-6-methoxyphenyl)-3-piperazin-1-ylimidazo[1,2-a]pyridine
PubChem CID138500851
Molecular FormulaC18H18ClFN4O
Molecular Weight360.82 g/mol
Exact Mass360.12
IUPAC Name6-chloro-7-(2-fluoro-6-methoxyphenyl)-3-piperazin-1-ylimidazo[1,2-a]pyridine
SMILESCOc1cccc(F)c1-c1cc2ncc(N3CCNCC3)n2cc1Cl
InChIInChI=1S/C18H18ClFN4O/c1-25-15-4-2-3-14(20)18(15)12-9-16-22-10-17(24(16)11-13(12)19)23-7-5-21-6-8-23/h2-4,9-11,21H,5-8H2,1H3
InChIKeyMXAFPDYHXQJTFH-UHFFFAOYSA-N
XLogP3.21
TPSA41.80 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.82
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-7-(2-fluoro-6-methoxyphenyl)-3-piperazin-1-ylimidazo[1,2-a]pyridine?
The IUPAC name of 6-chloro-7-(2-fluoro-6-methoxyphenyl)-3-piperazin-1-ylimidazo[1,2-a]pyridine (CID 138500851) is 6-chloro-7-(2-fluoro-6-methoxyphenyl)-3-piperazin-1-ylimidazo[1,2-a]pyridine.
What is the SMILES notation for 6-chloro-7-(2-fluoro-6-methoxyphenyl)-3-piperazin-1-ylimidazo[1,2-a]pyridine?
The canonical SMILES for 6-chloro-7-(2-fluoro-6-methoxyphenyl)-3-piperazin-1-ylimidazo[1,2-a]pyridine is COc1cccc(F)c1-c1cc2ncc(N3CCNCC3)n2cc1Cl.
What is the InChIKey of 6-chloro-7-(2-fluoro-6-methoxyphenyl)-3-piperazin-1-ylimidazo[1,2-a]pyridine?
The InChIKey is MXAFPDYHXQJTFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18ClFN4O/c1-25-15-4-2-3-14(20)18(15)12-9-16-22-10-17(24(16)11-13(12)19)23-7-5-21-6-8-23/h2-4,9-11,21H,5-8H2,1H3.
What are the key properties of 6-chloro-7-(2-fluoro-6-methoxyphenyl)-3-piperazin-1-ylimidazo[1,2-a]pyridine?
6-chloro-7-(2-fluoro-6-methoxyphenyl)-3-piperazin-1-ylimidazo[1,2-a]pyridine has a molecular weight of 360.82 g/mol, XLogP of 3.21, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-7-(2-fluoro-6-methoxyphenyl)-3-piperazin-1-ylimidazo[1,2-a]pyridine is sourced from PubChem (CID 138500851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).