3-bromo-8-[4-(thiophen-2-ylmethyl)piperazin-1-yl]-1,5-naphthyridine

C17H17BrN4S — CID 133481610

IUPAC3-bromo-8-[4-(thiophen-2-ylmethyl)piperazin-1-yl]-1,5-naphthyridine
SMILESBrc1cnc2c(N3CCN(Cc4cccs4)CC3)ccnc2c1
InChIInChI=1S/C17H17BrN4S/c18-13-10-15-17(20-11-13)16(3-4-19-15)22-7-5-21(6-8-22)12-14-2-1-9-23-14/h1-4,9-11H,5-8,12H2
InChIKeyXHTOQNJXTJZCRA-UHFFFAOYSA-N
MW389.32 g/mol
LogP3.78
Rot. Bonds3

About 3-bromo-8-[4-(thiophen-2-ylmethyl)piperazin-1-yl]-1,5-naphthyridine

3-bromo-8-[4-(thiophen-2-ylmethyl)piperazin-1-yl]-1,5-naphthyridine (PubChem CID 133481610) has the molecular formula C17H17BrN4S and a molecular weight of 389.32 g/mol. Its IUPAC name is 3-bromo-8-[4-(thiophen-2-ylmethyl)piperazin-1-yl]-1,5-naphthyridine.

Molecular Properties

Compound Name3-bromo-8-[4-(thiophen-2-ylmethyl)piperazin-1-yl]-1,5-naphthyridine
PubChem CID133481610
Molecular FormulaC17H17BrN4S
Molecular Weight389.32 g/mol
Exact Mass388.04
IUPAC Name3-bromo-8-[4-(thiophen-2-ylmethyl)piperazin-1-yl]-1,5-naphthyridine
SMILESBrc1cnc2c(N3CCN(Cc4cccs4)CC3)ccnc2c1
InChIInChI=1S/C17H17BrN4S/c18-13-10-15-17(20-11-13)16(3-4-19-15)22-7-5-21(6-8-22)12-14-2-1-9-23-14/h1-4,9-11H,5-8,12H2
InChIKeyXHTOQNJXTJZCRA-UHFFFAOYSA-N
XLogP3.78
TPSA32.26 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.32
LogP ≤ 53.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

3-bromo-8-(4-pyridazin-3-ylpiperazin-1-yl)-1,5-naphthyridine
CID 133482708
3-bromo-8-(4-phenyl-1,4-diazepan-1-yl)-1,5-naphthyridine
CID 133482284
1-(4-bromo-2-nitrophenyl)-4-(thiophen-2-ylmethyl)piperazine
CID 55378027
4-bromo-2-methyl-5-[4-(thiophen-2-ylmethyl)piperazin-1-yl]pyridazin-3-one
CID 133302980
[4-(7-bromo-1,5-naphthyridin-4-yl)piperazin-1-yl]-pyridin-2-ylmethanone
CID 133481833
2-[4-[4-(thiophen-2-ylmethyl)piperazin-1-yl]phenyl]-1,3-oxazole
CID 71624770
[4-(7-bromo-1,5-naphthyridin-4-yl)piperazin-1-yl]-(4-chlorophenyl)methanone
CID 133481788
1-(2-methoxyphenyl)-4-(thiophen-2-ylmethyl)piperazine
CID 763703
1-(4-fluoro-2-nitrophenyl)-4-(thiophen-2-ylmethyl)piperazine
CID 78805462
5-[4-(thiophen-2-ylmethyl)piperazin-1-yl]pyrazine-2-carbonitrile
CID 133290153
4-piperidin-1-yl-2-[4-(thiophen-2-ylmethyl)piperazin-1-yl]phenol
CID 130451354
4-(thiophen-2-ylmethyl)thiomorpholine
CID 792399

Frequently Asked Questions

What is the IUPAC name of 3-bromo-8-[4-(thiophen-2-ylmethyl)piperazin-1-yl]-1,5-naphthyridine?
The IUPAC name of 3-bromo-8-[4-(thiophen-2-ylmethyl)piperazin-1-yl]-1,5-naphthyridine (CID 133481610) is 3-bromo-8-[4-(thiophen-2-ylmethyl)piperazin-1-yl]-1,5-naphthyridine.
What is the SMILES notation for 3-bromo-8-[4-(thiophen-2-ylmethyl)piperazin-1-yl]-1,5-naphthyridine?
The canonical SMILES for 3-bromo-8-[4-(thiophen-2-ylmethyl)piperazin-1-yl]-1,5-naphthyridine is Brc1cnc2c(N3CCN(Cc4cccs4)CC3)ccnc2c1.
What is the InChIKey of 3-bromo-8-[4-(thiophen-2-ylmethyl)piperazin-1-yl]-1,5-naphthyridine?
The InChIKey is XHTOQNJXTJZCRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17BrN4S/c18-13-10-15-17(20-11-13)16(3-4-19-15)22-7-5-21(6-8-22)12-14-2-1-9-23-14/h1-4,9-11H,5-8,12H2.
What are the key properties of 3-bromo-8-[4-(thiophen-2-ylmethyl)piperazin-1-yl]-1,5-naphthyridine?
3-bromo-8-[4-(thiophen-2-ylmethyl)piperazin-1-yl]-1,5-naphthyridine has a molecular weight of 389.32 g/mol, XLogP of 3.78, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-8-[4-(thiophen-2-ylmethyl)piperazin-1-yl]-1,5-naphthyridine is sourced from PubChem (CID 133481610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).