3-bromo-8-(4-pyridazin-3-ylpiperazin-1-yl)-1,5-naphthyridine

C16H15BrN6 — CID 133482708

IUPAC3-bromo-8-(4-pyridazin-3-ylpiperazin-1-yl)-1,5-naphthyridine
SMILESBrc1cnc2c(N3CCN(c4cccnn4)CC3)ccnc2c1
InChIInChI=1S/C16H15BrN6/c17-12-10-13-16(19-11-12)14(3-5-18-13)22-6-8-23(9-7-22)15-2-1-4-20-21-15/h1-5,10-11H,6-9H2
InChIKeySRTSZCGUOXDIQV-UHFFFAOYSA-N
MW371.24 g/mol
LogP2.51
Rot. Bonds2

About 3-bromo-8-(4-pyridazin-3-ylpiperazin-1-yl)-1,5-naphthyridine

3-bromo-8-(4-pyridazin-3-ylpiperazin-1-yl)-1,5-naphthyridine (PubChem CID 133482708) has the molecular formula C16H15BrN6 and a molecular weight of 371.24 g/mol. Its IUPAC name is 3-bromo-8-(4-pyridazin-3-ylpiperazin-1-yl)-1,5-naphthyridine.

Molecular Properties

Compound Name3-bromo-8-(4-pyridazin-3-ylpiperazin-1-yl)-1,5-naphthyridine
PubChem CID133482708
Molecular FormulaC16H15BrN6
Molecular Weight371.24 g/mol
Exact Mass370.05
IUPAC Name3-bromo-8-(4-pyridazin-3-ylpiperazin-1-yl)-1,5-naphthyridine
SMILESBrc1cnc2c(N3CCN(c4cccnn4)CC3)ccnc2c1
InChIInChI=1S/C16H15BrN6/c17-12-10-13-16(19-11-12)14(3-5-18-13)22-6-8-23(9-7-22)15-2-1-4-20-21-15/h1-5,10-11H,6-9H2
InChIKeySRTSZCGUOXDIQV-UHFFFAOYSA-N
XLogP2.51
TPSA58.04 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.24
LogP ≤ 52.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-bromo-8-(4-pyridazin-3-ylpiperazin-1-yl)-1,5-naphthyridine?
The IUPAC name of 3-bromo-8-(4-pyridazin-3-ylpiperazin-1-yl)-1,5-naphthyridine (CID 133482708) is 3-bromo-8-(4-pyridazin-3-ylpiperazin-1-yl)-1,5-naphthyridine.
What is the SMILES notation for 3-bromo-8-(4-pyridazin-3-ylpiperazin-1-yl)-1,5-naphthyridine?
The canonical SMILES for 3-bromo-8-(4-pyridazin-3-ylpiperazin-1-yl)-1,5-naphthyridine is Brc1cnc2c(N3CCN(c4cccnn4)CC3)ccnc2c1.
What is the InChIKey of 3-bromo-8-(4-pyridazin-3-ylpiperazin-1-yl)-1,5-naphthyridine?
The InChIKey is SRTSZCGUOXDIQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15BrN6/c17-12-10-13-16(19-11-12)14(3-5-18-13)22-6-8-23(9-7-22)15-2-1-4-20-21-15/h1-5,10-11H,6-9H2.
What are the key properties of 3-bromo-8-(4-pyridazin-3-ylpiperazin-1-yl)-1,5-naphthyridine?
3-bromo-8-(4-pyridazin-3-ylpiperazin-1-yl)-1,5-naphthyridine has a molecular weight of 371.24 g/mol, XLogP of 2.51, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-8-(4-pyridazin-3-ylpiperazin-1-yl)-1,5-naphthyridine is sourced from PubChem (CID 133482708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).