N-[6-chloro-7-(2-fluoro-6-methoxyphenyl)-3-piperazin-1-ylimidazo[1,2-a]pyridin-2-yl]acetamide

C20H21ClFN5O2 — CID 135283738

IUPACN-[6-chloro-7-(2-fluoro-6-methoxyphenyl)-3-piperazin-1-ylimidazo[1,2-a]pyridin-2-yl]acetamide
SMILESCOc1cccc(F)c1-c1cc2nc(NC(C)=O)c(N3CCNCC3)n2cc1Cl
InChIInChI=1S/C20H21ClFN5O2/c1-12(28)24-19-20(26-8-6-23-7-9-26)27-11-14(21)13(10-17(27)25-19)18-15(22)4-3-5-16(18)29-2/h3-5,10-11,23H,6-9H2,1-2H3,(H,24,28)
InChIKeyTUQNBIYXLKGIIS-UHFFFAOYSA-N
MW417.87 g/mol
LogP3.17
Rot. Bonds4

About N-[6-chloro-7-(2-fluoro-6-methoxyphenyl)-3-piperazin-1-ylimidazo[1,2-a]pyridin-2-yl]acetamide

N-[6-chloro-7-(2-fluoro-6-methoxyphenyl)-3-piperazin-1-ylimidazo[1,2-a]pyridin-2-yl]acetamide (PubChem CID 135283738) has the molecular formula C20H21ClFN5O2 and a molecular weight of 417.87 g/mol. Its IUPAC name is N-[6-chloro-7-(2-fluoro-6-methoxyphenyl)-3-piperazin-1-ylimidazo[1,2-a]pyridin-2-yl]acetamide.

Molecular Properties

Compound NameN-[6-chloro-7-(2-fluoro-6-methoxyphenyl)-3-piperazin-1-ylimidazo[1,2-a]pyridin-2-yl]acetamide
PubChem CID135283738
Molecular FormulaC20H21ClFN5O2
Molecular Weight417.87 g/mol
Exact Mass417.14
IUPAC NameN-[6-chloro-7-(2-fluoro-6-methoxyphenyl)-3-piperazin-1-ylimidazo[1,2-a]pyridin-2-yl]acetamide
SMILESCOc1cccc(F)c1-c1cc2nc(NC(C)=O)c(N3CCNCC3)n2cc1Cl
InChIInChI=1S/C20H21ClFN5O2/c1-12(28)24-19-20(26-8-6-23-7-9-26)27-11-14(21)13(10-17(27)25-19)18-15(22)4-3-5-16(18)29-2/h3-5,10-11,23H,6-9H2,1-2H3,(H,24,28)
InChIKeyTUQNBIYXLKGIIS-UHFFFAOYSA-N
XLogP3.17
TPSA70.90 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.87
LogP ≤ 53.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[6-chloro-7-(2-fluoro-6-methoxyphenyl)-3-piperazin-1-ylimidazo[1,2-a]pyridin-2-yl]acetamide?
The IUPAC name of N-[6-chloro-7-(2-fluoro-6-methoxyphenyl)-3-piperazin-1-ylimidazo[1,2-a]pyridin-2-yl]acetamide (CID 135283738) is N-[6-chloro-7-(2-fluoro-6-methoxyphenyl)-3-piperazin-1-ylimidazo[1,2-a]pyridin-2-yl]acetamide.
What is the SMILES notation for N-[6-chloro-7-(2-fluoro-6-methoxyphenyl)-3-piperazin-1-ylimidazo[1,2-a]pyridin-2-yl]acetamide?
The canonical SMILES for N-[6-chloro-7-(2-fluoro-6-methoxyphenyl)-3-piperazin-1-ylimidazo[1,2-a]pyridin-2-yl]acetamide is COc1cccc(F)c1-c1cc2nc(NC(C)=O)c(N3CCNCC3)n2cc1Cl.
What is the InChIKey of N-[6-chloro-7-(2-fluoro-6-methoxyphenyl)-3-piperazin-1-ylimidazo[1,2-a]pyridin-2-yl]acetamide?
The InChIKey is TUQNBIYXLKGIIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21ClFN5O2/c1-12(28)24-19-20(26-8-6-23-7-9-26)27-11-14(21)13(10-17(27)25-19)18-15(22)4-3-5-16(18)29-2/h3-5,10-11,23H,6-9H2,1-2H3,(H,24,28).
What are the key properties of N-[6-chloro-7-(2-fluoro-6-methoxyphenyl)-3-piperazin-1-ylimidazo[1,2-a]pyridin-2-yl]acetamide?
N-[6-chloro-7-(2-fluoro-6-methoxyphenyl)-3-piperazin-1-ylimidazo[1,2-a]pyridin-2-yl]acetamide has a molecular weight of 417.87 g/mol, XLogP of 3.17, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-chloro-7-(2-fluoro-6-methoxyphenyl)-3-piperazin-1-ylimidazo[1,2-a]pyridin-2-yl]acetamide is sourced from PubChem (CID 135283738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).