6-chloro-8-fluoro-7-(2-fluoro-6-methoxyphenyl)-3-piperazin-1-ylimidazo[1,2-a]pyridine

C18H17ClF2N4O — CID 135283736

IUPAC6-chloro-8-fluoro-7-(2-fluoro-6-methoxyphenyl)-3-piperazin-1-ylimidazo[1,2-a]pyridine
SMILESCOc1cccc(F)c1-c1c(Cl)cn2c(N3CCNCC3)cnc2c1F
InChIInChI=1S/C18H17ClF2N4O/c1-26-13-4-2-3-12(20)16(13)15-11(19)10-25-14(9-23-18(25)17(15)21)24-7-5-22-6-8-24/h2-4,9-10,22H,5-8H2,1H3
InChIKeyXQFARYZBLHKEBF-UHFFFAOYSA-N
MW378.81 g/mol
LogP3.35
Rot. Bonds3

About 6-chloro-8-fluoro-7-(2-fluoro-6-methoxyphenyl)-3-piperazin-1-ylimidazo[1,2-a]pyridine

6-chloro-8-fluoro-7-(2-fluoro-6-methoxyphenyl)-3-piperazin-1-ylimidazo[1,2-a]pyridine (PubChem CID 135283736) has the molecular formula C18H17ClF2N4O and a molecular weight of 378.81 g/mol. Its IUPAC name is 6-chloro-8-fluoro-7-(2-fluoro-6-methoxyphenyl)-3-piperazin-1-ylimidazo[1,2-a]pyridine.

Molecular Properties

Compound Name6-chloro-8-fluoro-7-(2-fluoro-6-methoxyphenyl)-3-piperazin-1-ylimidazo[1,2-a]pyridine
PubChem CID135283736
Molecular FormulaC18H17ClF2N4O
Molecular Weight378.81 g/mol
Exact Mass378.11
IUPAC Name6-chloro-8-fluoro-7-(2-fluoro-6-methoxyphenyl)-3-piperazin-1-ylimidazo[1,2-a]pyridine
SMILESCOc1cccc(F)c1-c1c(Cl)cn2c(N3CCNCC3)cnc2c1F
InChIInChI=1S/C18H17ClF2N4O/c1-26-13-4-2-3-12(20)16(13)15-11(19)10-25-14(9-23-18(25)17(15)21)24-7-5-22-6-8-24/h2-4,9-10,22H,5-8H2,1H3
InChIKeyXQFARYZBLHKEBF-UHFFFAOYSA-N
XLogP3.35
TPSA41.80 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.81
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-8-fluoro-7-(2-fluoro-6-methoxyphenyl)-3-piperazin-1-ylimidazo[1,2-a]pyridine?
The IUPAC name of 6-chloro-8-fluoro-7-(2-fluoro-6-methoxyphenyl)-3-piperazin-1-ylimidazo[1,2-a]pyridine (CID 135283736) is 6-chloro-8-fluoro-7-(2-fluoro-6-methoxyphenyl)-3-piperazin-1-ylimidazo[1,2-a]pyridine.
What is the SMILES notation for 6-chloro-8-fluoro-7-(2-fluoro-6-methoxyphenyl)-3-piperazin-1-ylimidazo[1,2-a]pyridine?
The canonical SMILES for 6-chloro-8-fluoro-7-(2-fluoro-6-methoxyphenyl)-3-piperazin-1-ylimidazo[1,2-a]pyridine is COc1cccc(F)c1-c1c(Cl)cn2c(N3CCNCC3)cnc2c1F.
What is the InChIKey of 6-chloro-8-fluoro-7-(2-fluoro-6-methoxyphenyl)-3-piperazin-1-ylimidazo[1,2-a]pyridine?
The InChIKey is XQFARYZBLHKEBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17ClF2N4O/c1-26-13-4-2-3-12(20)16(13)15-11(19)10-25-14(9-23-18(25)17(15)21)24-7-5-22-6-8-24/h2-4,9-10,22H,5-8H2,1H3.
What are the key properties of 6-chloro-8-fluoro-7-(2-fluoro-6-methoxyphenyl)-3-piperazin-1-ylimidazo[1,2-a]pyridine?
6-chloro-8-fluoro-7-(2-fluoro-6-methoxyphenyl)-3-piperazin-1-ylimidazo[1,2-a]pyridine has a molecular weight of 378.81 g/mol, XLogP of 3.35, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-8-fluoro-7-(2-fluoro-6-methoxyphenyl)-3-piperazin-1-ylimidazo[1,2-a]pyridine is sourced from PubChem (CID 135283736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).