3-bromo-6-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]imidazo[1,2-b]pyridazine

C16H23BrN6 — CID 169237106

IUPAC3-bromo-6-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]imidazo[1,2-b]pyridazine
SMILESCN1CCN(C2CCN(c3ccc4ncc(Br)n4n3)CC2)CC1
InChIInChI=1S/C16H23BrN6/c1-20-8-10-21(11-9-20)13-4-6-22(7-5-13)16-3-2-15-18-12-14(17)23(15)19-16/h2-3,12-13H,4-11H2,1H3
InChIKeyLGJJKYSUOZAIBV-UHFFFAOYSA-N
MW379.31 g/mol
LogP1.71
Rot. Bonds2

About 3-bromo-6-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]imidazo[1,2-b]pyridazine

3-bromo-6-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]imidazo[1,2-b]pyridazine (PubChem CID 169237106) has the molecular formula C16H23BrN6 and a molecular weight of 379.31 g/mol. Its IUPAC name is 3-bromo-6-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]imidazo[1,2-b]pyridazine.

Molecular Properties

Compound Name3-bromo-6-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]imidazo[1,2-b]pyridazine
PubChem CID169237106
Molecular FormulaC16H23BrN6
Molecular Weight379.31 g/mol
Exact Mass378.12
IUPAC Name3-bromo-6-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]imidazo[1,2-b]pyridazine
SMILESCN1CCN(C2CCN(c3ccc4ncc(Br)n4n3)CC2)CC1
InChIInChI=1S/C16H23BrN6/c1-20-8-10-21(11-9-20)13-4-6-22(7-5-13)16-3-2-15-18-12-14(17)23(15)19-16/h2-3,12-13H,4-11H2,1H3
InChIKeyLGJJKYSUOZAIBV-UHFFFAOYSA-N
XLogP1.71
TPSA39.91 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.31
LogP ≤ 51.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

3-bromo-6-[(3R,5S)-3,4,5-trimethylpiperazin-1-yl]imidazo[1,2-b]pyridazine
CID 169237116
4-(3-bromoimidazo[1,2-b]pyridazin-6-yl)thiomorpholine
CID 169237155
ethane;1-methyl-4-[1-(5-methyl-2-pyridinyl)piperidin-4-yl]piperazine
CID 144607293
(2S)-4-(3-bromoimidazo[1,2-b]pyridazin-6-yl)-2-methylmorpholine
CID 169237077
7-(3-bromoimidazo[1,2-b]pyridazin-6-yl)-4-oxa-7-azaspiro[2.5]octane
CID 169237104
1-[1-(6-methoxy-5-methyl-2-pyridinyl)piperidin-4-yl]-4-methylpiperazine
CID 175810130
tert-butyl 4-(3-bromoimidazo[1,2-b]pyridazin-6-yl)-1,4-diazepane-1-carboxylate
CID 68647817
3-bromo-6-cyclopentylimidazo[1,2-b]pyridazine
CID 116854727
3-methyl-6-[3-(4-methylpiperazin-1-yl)azetidin-1-yl]pyridazine
CID 126891751
4-(1-imidazo[1,2-b]pyridazin-6-ylpiperidin-4-yl)morpholine
CID 171690270
N-methyl-6-pyrrolidin-1-ylimidazo[1,2-b]pyridazin-3-amine
CID 146669273
3-bromo-6-(4-methylpiperazin-1-yl)imidazo[1,2-b]pyridazine;tert-butyl 5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazole-1-carboxylate
CID 90731914

Frequently Asked Questions

What is the IUPAC name of 3-bromo-6-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]imidazo[1,2-b]pyridazine?
The IUPAC name of 3-bromo-6-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]imidazo[1,2-b]pyridazine (CID 169237106) is 3-bromo-6-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]imidazo[1,2-b]pyridazine.
What is the SMILES notation for 3-bromo-6-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]imidazo[1,2-b]pyridazine?
The canonical SMILES for 3-bromo-6-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]imidazo[1,2-b]pyridazine is CN1CCN(C2CCN(c3ccc4ncc(Br)n4n3)CC2)CC1.
What is the InChIKey of 3-bromo-6-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]imidazo[1,2-b]pyridazine?
The InChIKey is LGJJKYSUOZAIBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23BrN6/c1-20-8-10-21(11-9-20)13-4-6-22(7-5-13)16-3-2-15-18-12-14(17)23(15)19-16/h2-3,12-13H,4-11H2,1H3.
What are the key properties of 3-bromo-6-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]imidazo[1,2-b]pyridazine?
3-bromo-6-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]imidazo[1,2-b]pyridazine has a molecular weight of 379.31 g/mol, XLogP of 1.71, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-6-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]imidazo[1,2-b]pyridazine is sourced from PubChem (CID 169237106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).