5-piperazin-1-yl-8-thiophen-3-yl-2-(trifluoromethyl)-1,6-naphthyridine

C17H15F3N4S — CID 24734609

IUPAC5-piperazin-1-yl-8-thiophen-3-yl-2-(trifluoromethyl)-1,6-naphthyridine
SMILESFC(F)(F)c1ccc2c(N3CCNCC3)ncc(-c3ccsc3)c2n1
InChIInChI=1S/C17H15F3N4S/c18-17(19,20)14-2-1-12-15(23-14)13(11-3-8-25-10-11)9-22-16(12)24-6-4-21-5-7-24/h1-3,8-10,21H,4-7H2
InChIKeyHLEOOYPBDFQBGE-UHFFFAOYSA-N
MW364.40 g/mol
LogP3.79
Rot. Bonds2

About 5-piperazin-1-yl-8-thiophen-3-yl-2-(trifluoromethyl)-1,6-naphthyridine

5-piperazin-1-yl-8-thiophen-3-yl-2-(trifluoromethyl)-1,6-naphthyridine (PubChem CID 24734609) has the molecular formula C17H15F3N4S and a molecular weight of 364.40 g/mol. Its IUPAC name is 5-piperazin-1-yl-8-thiophen-3-yl-2-(trifluoromethyl)-1,6-naphthyridine.

Molecular Properties

Compound Name5-piperazin-1-yl-8-thiophen-3-yl-2-(trifluoromethyl)-1,6-naphthyridine
PubChem CID24734609
Molecular FormulaC17H15F3N4S
Molecular Weight364.40 g/mol
Exact Mass364.10
IUPAC Name5-piperazin-1-yl-8-thiophen-3-yl-2-(trifluoromethyl)-1,6-naphthyridine
SMILESFC(F)(F)c1ccc2c(N3CCNCC3)ncc(-c3ccsc3)c2n1
InChIInChI=1S/C17H15F3N4S/c18-17(19,20)14-2-1-12-15(23-14)13(11-3-8-25-10-11)9-22-16(12)24-6-4-21-5-7-24/h1-3,8-10,21H,4-7H2
InChIKeyHLEOOYPBDFQBGE-UHFFFAOYSA-N
XLogP3.79
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.40
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-piperazin-1-yl-8-thiophen-3-yl-2-(trifluoromethyl)-1,6-naphthyridine?
The IUPAC name of 5-piperazin-1-yl-8-thiophen-3-yl-2-(trifluoromethyl)-1,6-naphthyridine (CID 24734609) is 5-piperazin-1-yl-8-thiophen-3-yl-2-(trifluoromethyl)-1,6-naphthyridine.
What is the SMILES notation for 5-piperazin-1-yl-8-thiophen-3-yl-2-(trifluoromethyl)-1,6-naphthyridine?
The canonical SMILES for 5-piperazin-1-yl-8-thiophen-3-yl-2-(trifluoromethyl)-1,6-naphthyridine is FC(F)(F)c1ccc2c(N3CCNCC3)ncc(-c3ccsc3)c2n1.
What is the InChIKey of 5-piperazin-1-yl-8-thiophen-3-yl-2-(trifluoromethyl)-1,6-naphthyridine?
The InChIKey is HLEOOYPBDFQBGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15F3N4S/c18-17(19,20)14-2-1-12-15(23-14)13(11-3-8-25-10-11)9-22-16(12)24-6-4-21-5-7-24/h1-3,8-10,21H,4-7H2.
What are the key properties of 5-piperazin-1-yl-8-thiophen-3-yl-2-(trifluoromethyl)-1,6-naphthyridine?
5-piperazin-1-yl-8-thiophen-3-yl-2-(trifluoromethyl)-1,6-naphthyridine has a molecular weight of 364.40 g/mol, XLogP of 3.79, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-piperazin-1-yl-8-thiophen-3-yl-2-(trifluoromethyl)-1,6-naphthyridine is sourced from PubChem (CID 24734609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).