6-[3-(4-pyrimidin-2-ylpiperazin-1-yl)azetidin-1-yl]imidazo[1,2-b]pyridazine

C17H20N8 — CID 126893887

IUPAC6-[3-(4-pyrimidin-2-ylpiperazin-1-yl)azetidin-1-yl]imidazo[1,2-b]pyridazine
SMILESc1cnc(N2CCN(C3CN(c4ccc5nccn5n4)C3)CC2)nc1
InChIInChI=1S/C17H20N8/c1-4-19-17(20-5-1)23-10-8-22(9-11-23)14-12-24(13-14)16-3-2-15-18-6-7-25(15)21-16/h1-7,14H,8-13H2
InChIKeyDNWJZBZJHDRUBP-UHFFFAOYSA-N
MW336.40 g/mol
LogP0.53
Rot. Bonds3

About 6-[3-(4-pyrimidin-2-ylpiperazin-1-yl)azetidin-1-yl]imidazo[1,2-b]pyridazine

6-[3-(4-pyrimidin-2-ylpiperazin-1-yl)azetidin-1-yl]imidazo[1,2-b]pyridazine (PubChem CID 126893887) has the molecular formula C17H20N8 and a molecular weight of 336.40 g/mol. Its IUPAC name is 6-[3-(4-pyrimidin-2-ylpiperazin-1-yl)azetidin-1-yl]imidazo[1,2-b]pyridazine.

Molecular Properties

Compound Name6-[3-(4-pyrimidin-2-ylpiperazin-1-yl)azetidin-1-yl]imidazo[1,2-b]pyridazine
PubChem CID126893887
Molecular FormulaC17H20N8
Molecular Weight336.40 g/mol
Exact Mass336.18
IUPAC Name6-[3-(4-pyrimidin-2-ylpiperazin-1-yl)azetidin-1-yl]imidazo[1,2-b]pyridazine
SMILESc1cnc(N2CCN(C3CN(c4ccc5nccn5n4)C3)CC2)nc1
InChIInChI=1S/C17H20N8/c1-4-19-17(20-5-1)23-10-8-22(9-11-23)14-12-24(13-14)16-3-2-15-18-6-7-25(15)21-16/h1-7,14H,8-13H2
InChIKeyDNWJZBZJHDRUBP-UHFFFAOYSA-N
XLogP0.53
TPSA65.69 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.40
LogP ≤ 50.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

6-(4-pyridin-2-ylpiperazin-1-yl)imidazo[1,2-b]pyridazine
CID 134310587
6-(4-phenylpiperazin-1-yl)imidazo[1,2-b]pyridazine
CID 134310574
2-methyl-4-[3-(4-pyrimidin-2-ylpiperazin-1-yl)azetidin-1-yl]pyrimidine
CID 126893871
4-(1-imidazo[1,2-b]pyridazin-6-ylpiperidin-4-yl)morpholine
CID 171690270
6-piperidin-1-ylimidazo[1,2-b]pyridazine
CID 23657730
1-imidazo[1,2-b]pyridazin-6-ylpiperidin-4-ol
CID 131704101
1-(1-imidazo[1,2-b]pyridazin-6-ylazetidin-3-yl)pyrazole-4-carbonitrile
CID 126900656
2-pyrazol-1-yl-6-[3-(4-pyrimidin-2-ylpiperazin-1-yl)azetidin-1-yl]pyrazine
CID 126894070
6-(5-pyrimidin-2-yl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-2-yl)-[1,2,4]triazolo[4,3-b]pyridazine
CID 155798898
2-[3-[4-(4-fluorophenyl)piperazin-1-yl]azetidin-1-yl]pyrimidine
CID 126892915
N,N-dimethyl-2-[3-(4-pyrimidin-2-ylpiperazin-1-yl)azetidin-1-yl]pyrimidin-4-amine
CID 126893881
2-[4-(2,3-dihydro-1H-inden-2-yl)piperazin-1-yl]pyrimidine
CID 30982970

Frequently Asked Questions

What is the IUPAC name of 6-[3-(4-pyrimidin-2-ylpiperazin-1-yl)azetidin-1-yl]imidazo[1,2-b]pyridazine?
The IUPAC name of 6-[3-(4-pyrimidin-2-ylpiperazin-1-yl)azetidin-1-yl]imidazo[1,2-b]pyridazine (CID 126893887) is 6-[3-(4-pyrimidin-2-ylpiperazin-1-yl)azetidin-1-yl]imidazo[1,2-b]pyridazine.
What is the SMILES notation for 6-[3-(4-pyrimidin-2-ylpiperazin-1-yl)azetidin-1-yl]imidazo[1,2-b]pyridazine?
The canonical SMILES for 6-[3-(4-pyrimidin-2-ylpiperazin-1-yl)azetidin-1-yl]imidazo[1,2-b]pyridazine is c1cnc(N2CCN(C3CN(c4ccc5nccn5n4)C3)CC2)nc1.
What is the InChIKey of 6-[3-(4-pyrimidin-2-ylpiperazin-1-yl)azetidin-1-yl]imidazo[1,2-b]pyridazine?
The InChIKey is DNWJZBZJHDRUBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N8/c1-4-19-17(20-5-1)23-10-8-22(9-11-23)14-12-24(13-14)16-3-2-15-18-6-7-25(15)21-16/h1-7,14H,8-13H2.
What are the key properties of 6-[3-(4-pyrimidin-2-ylpiperazin-1-yl)azetidin-1-yl]imidazo[1,2-b]pyridazine?
6-[3-(4-pyrimidin-2-ylpiperazin-1-yl)azetidin-1-yl]imidazo[1,2-b]pyridazine has a molecular weight of 336.40 g/mol, XLogP of 0.53, 3 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[3-(4-pyrimidin-2-ylpiperazin-1-yl)azetidin-1-yl]imidazo[1,2-b]pyridazine is sourced from PubChem (CID 126893887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).