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

C22H27Cl2N7 — CID 11626748

IUPAC2-[[4-(3,4-dichlorophenyl)piperazin-1-yl]methyl]-6-(4-methylpiperazin-1-yl)imidazo[1,2-b]pyridazine
SMILESCN1CCN(c2ccc3nc(CN4CCN(c5ccc(Cl)c(Cl)c5)CC4)cn3n2)CC1
InChIInChI=1S/C22H27Cl2N7/c1-27-6-10-30(11-7-27)22-5-4-21-25-17(16-31(21)26-22)15-28-8-12-29(13-9-28)18-2-3-19(23)20(24)14-18/h2-5,14,16H,6-13,15H2,1H3
InChIKeyVSESOHHTOBROFA-UHFFFAOYSA-N
MW460.41 g/mol
LogP3.11
Rot. Bonds4

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

2-[[4-(3,4-dichlorophenyl)piperazin-1-yl]methyl]-6-(4-methylpiperazin-1-yl)imidazo[1,2-b]pyridazine (PubChem CID 11626748) has the molecular formula C22H27Cl2N7 and a molecular weight of 460.41 g/mol. Its IUPAC name is 2-[[4-(3,4-dichlorophenyl)piperazin-1-yl]methyl]-6-(4-methylpiperazin-1-yl)imidazo[1,2-b]pyridazine.

Molecular Properties

Compound Name2-[[4-(3,4-dichlorophenyl)piperazin-1-yl]methyl]-6-(4-methylpiperazin-1-yl)imidazo[1,2-b]pyridazine
PubChem CID11626748
Molecular FormulaC22H27Cl2N7
Molecular Weight460.41 g/mol
Exact Mass459.17
IUPAC Name2-[[4-(3,4-dichlorophenyl)piperazin-1-yl]methyl]-6-(4-methylpiperazin-1-yl)imidazo[1,2-b]pyridazine
SMILESCN1CCN(c2ccc3nc(CN4CCN(c5ccc(Cl)c(Cl)c5)CC4)cn3n2)CC1
InChIInChI=1S/C22H27Cl2N7/c1-27-6-10-30(11-7-27)22-5-4-21-25-17(16-31(21)26-22)15-28-8-12-29(13-9-28)18-2-3-19(23)20(24)14-18/h2-5,14,16H,6-13,15H2,1H3
InChIKeyVSESOHHTOBROFA-UHFFFAOYSA-N
XLogP3.11
TPSA43.15 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500460.41
LogP ≤ 53.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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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
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
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
8-Chloro-4-(4-methyl-1-piperazinyl)pyrido[2,3-e][1,2,4]triazolo[4,3-a]pyrazine
CID 71547678
7,8-Dichloro-4-(4-methyl-1-piperazinyl)pyrido[2,3-e][1,2,4]triazolo[4,3-a]pyrazine
CID 71547762

Frequently Asked Questions

What is the IUPAC name of 2-[[4-(3,4-dichlorophenyl)piperazin-1-yl]methyl]-6-(4-methylpiperazin-1-yl)imidazo[1,2-b]pyridazine?
The IUPAC name of 2-[[4-(3,4-dichlorophenyl)piperazin-1-yl]methyl]-6-(4-methylpiperazin-1-yl)imidazo[1,2-b]pyridazine (CID 11626748) is 2-[[4-(3,4-dichlorophenyl)piperazin-1-yl]methyl]-6-(4-methylpiperazin-1-yl)imidazo[1,2-b]pyridazine.
What is the SMILES notation for 2-[[4-(3,4-dichlorophenyl)piperazin-1-yl]methyl]-6-(4-methylpiperazin-1-yl)imidazo[1,2-b]pyridazine?
The canonical SMILES for 2-[[4-(3,4-dichlorophenyl)piperazin-1-yl]methyl]-6-(4-methylpiperazin-1-yl)imidazo[1,2-b]pyridazine is CN1CCN(c2ccc3nc(CN4CCN(c5ccc(Cl)c(Cl)c5)CC4)cn3n2)CC1.
What is the InChIKey of 2-[[4-(3,4-dichlorophenyl)piperazin-1-yl]methyl]-6-(4-methylpiperazin-1-yl)imidazo[1,2-b]pyridazine?
The InChIKey is VSESOHHTOBROFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27Cl2N7/c1-27-6-10-30(11-7-27)22-5-4-21-25-17(16-31(21)26-22)15-28-8-12-29(13-9-28)18-2-3-19(23)20(24)14-18/h2-5,14,16H,6-13,15H2,1H3.
What are the key properties of 2-[[4-(3,4-dichlorophenyl)piperazin-1-yl]methyl]-6-(4-methylpiperazin-1-yl)imidazo[1,2-b]pyridazine?
2-[[4-(3,4-dichlorophenyl)piperazin-1-yl]methyl]-6-(4-methylpiperazin-1-yl)imidazo[1,2-b]pyridazine has a molecular weight of 460.41 g/mol, XLogP of 3.11, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-(3,4-dichlorophenyl)piperazin-1-yl]methyl]-6-(4-methylpiperazin-1-yl)imidazo[1,2-b]pyridazine is sourced from PubChem (CID 11626748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).