2-[[4-(3,4-dichlorophenyl)piperazin-1-yl]methyl]-6-piperidin-1-ylimidazo[1,2-b]pyridazine

C22H26Cl2N6 — CID 11517928

IUPAC2-[[4-(3,4-dichlorophenyl)piperazin-1-yl]methyl]-6-piperidin-1-ylimidazo[1,2-b]pyridazine
SMILESClc1ccc(N2CCN(Cc3cn4nc(N5CCCCC5)ccc4n3)CC2)cc1Cl
InChIInChI=1S/C22H26Cl2N6/c23-19-5-4-18(14-20(19)24)28-12-10-27(11-13-28)15-17-16-30-21(25-17)6-7-22(26-30)29-8-2-1-3-9-29/h4-7,14,16H,1-3,8-13,15H2
InChIKeyACHQQXOLWIKHRK-UHFFFAOYSA-N
MW445.40 g/mol
LogP4.35
Rot. Bonds4

About 2-[[4-(3,4-dichlorophenyl)piperazin-1-yl]methyl]-6-piperidin-1-ylimidazo[1,2-b]pyridazine

2-[[4-(3,4-dichlorophenyl)piperazin-1-yl]methyl]-6-piperidin-1-ylimidazo[1,2-b]pyridazine (PubChem CID 11517928) has the molecular formula C22H26Cl2N6 and a molecular weight of 445.40 g/mol. Its IUPAC name is 2-[[4-(3,4-dichlorophenyl)piperazin-1-yl]methyl]-6-piperidin-1-ylimidazo[1,2-b]pyridazine.

Molecular Properties

Compound Name2-[[4-(3,4-dichlorophenyl)piperazin-1-yl]methyl]-6-piperidin-1-ylimidazo[1,2-b]pyridazine
PubChem CID11517928
Molecular FormulaC22H26Cl2N6
Molecular Weight445.40 g/mol
Exact Mass444.16
IUPAC Name2-[[4-(3,4-dichlorophenyl)piperazin-1-yl]methyl]-6-piperidin-1-ylimidazo[1,2-b]pyridazine
SMILESClc1ccc(N2CCN(Cc3cn4nc(N5CCCCC5)ccc4n3)CC2)cc1Cl
InChIInChI=1S/C22H26Cl2N6/c23-19-5-4-18(14-20(19)24)28-12-10-27(11-13-28)15-17-16-30-21(25-17)6-7-22(26-30)29-8-2-1-3-9-29/h4-7,14,16H,1-3,8-13,15H2
InChIKeyACHQQXOLWIKHRK-UHFFFAOYSA-N
XLogP4.35
TPSA39.91 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.40
LogP ≤ 54.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

Imidazo[1,2-a]pyridine,2-[[4-(3,4-dichlorophenyl)-1-piperazinyl]methyl]-
CID 11516033
6-Bromo-2-[4-(3,4-dichlorophenyl)piperazin-1-ylmethyl]imidazo[1,2-a]pyridine
CID 11575799
2-[[4-(4-Chlorophenyl)piperazin-1-yl]methyl]imidazo[1,2-a]pyridine
CID 6469918
5-[(4-aminopiperidin-1-yl)methyl]-N-(3-chloro-4-fluorophenyl)pyrrolo[2,1-f][1,2,4]triazin-4-amine
CID 11440253
(3-Chloro-4-fluoro-phenyl)-pyrrolo[2,1-f][1,2,4]triazin-4-yl-amine
CID 11817879
8-Chloro-4-(4-methyl-1-piperazinyl)[1,2,4]triazolo[4,3-a]quinoxaline
CID 20889070
5-((4-aminopiperidin-1-yl)methyl)-N-(3-chlorophenyl)pyrrolo[1,2-f][1,2,4]triazin-4-amine
CID 21874200
5-[(4-aminopiperidin-1-yl)methyl]-N-(3,5-dichlorophenyl)pyrrolo[2,1-f][1,2,4]triazin-4-amine
CID 21874228
4-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)-N-(3,4-dichlorophenyl)piperazine-1-carboxamide
CID 25854682
6-Chloro-3-pyridin-3-ylimidazo[1,2-b]pyridazine
CID 45141513
3,4-dichloro-N-[[5-(6-methyl-2-pyridinyl)-4-([1,2,4]triazolo[1,5-a]pyridin-6-yl)-1H-imidazol-2-yl]methyl]aniline
CID 54766323
12-chloro-7-[(3S)-3,4-dimethylpiperazin-1-yl]-2,4,5,8,10-pentazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,10,12-hexaene
CID 71547282

Frequently Asked Questions

What is the IUPAC name of 2-[[4-(3,4-dichlorophenyl)piperazin-1-yl]methyl]-6-piperidin-1-ylimidazo[1,2-b]pyridazine?
The IUPAC name of 2-[[4-(3,4-dichlorophenyl)piperazin-1-yl]methyl]-6-piperidin-1-ylimidazo[1,2-b]pyridazine (CID 11517928) is 2-[[4-(3,4-dichlorophenyl)piperazin-1-yl]methyl]-6-piperidin-1-ylimidazo[1,2-b]pyridazine.
What is the SMILES notation for 2-[[4-(3,4-dichlorophenyl)piperazin-1-yl]methyl]-6-piperidin-1-ylimidazo[1,2-b]pyridazine?
The canonical SMILES for 2-[[4-(3,4-dichlorophenyl)piperazin-1-yl]methyl]-6-piperidin-1-ylimidazo[1,2-b]pyridazine is Clc1ccc(N2CCN(Cc3cn4nc(N5CCCCC5)ccc4n3)CC2)cc1Cl.
What is the InChIKey of 2-[[4-(3,4-dichlorophenyl)piperazin-1-yl]methyl]-6-piperidin-1-ylimidazo[1,2-b]pyridazine?
The InChIKey is ACHQQXOLWIKHRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26Cl2N6/c23-19-5-4-18(14-20(19)24)28-12-10-27(11-13-28)15-17-16-30-21(25-17)6-7-22(26-30)29-8-2-1-3-9-29/h4-7,14,16H,1-3,8-13,15H2.
What are the key properties of 2-[[4-(3,4-dichlorophenyl)piperazin-1-yl]methyl]-6-piperidin-1-ylimidazo[1,2-b]pyridazine?
2-[[4-(3,4-dichlorophenyl)piperazin-1-yl]methyl]-6-piperidin-1-ylimidazo[1,2-b]pyridazine has a molecular weight of 445.40 g/mol, XLogP of 4.35, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-(3,4-dichlorophenyl)piperazin-1-yl]methyl]-6-piperidin-1-ylimidazo[1,2-b]pyridazine is sourced from PubChem (CID 11517928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).