6-chloro-2-[[4-(2-methoxyphenyl)piperazin-1-yl]methyl]imidazo[1,2-b]pyridazine

C18H20ClN5O — CID 11581237

IUPAC6-chloro-2-[[4-(2-methoxyphenyl)piperazin-1-yl]methyl]imidazo[1,2-b]pyridazine
SMILESCOc1ccccc1N1CCN(Cc2cn3nc(Cl)ccc3n2)CC1
InChIInChI=1S/C18H20ClN5O/c1-25-16-5-3-2-4-15(16)23-10-8-22(9-11-23)12-14-13-24-18(20-14)7-6-17(19)21-24/h2-7,13H,8-12H2,1H3
InChIKeyGSYFEKZSWFXBAB-UHFFFAOYSA-N
MW357.85 g/mol
LogP2.71
Rot. Bonds4

About 6-chloro-2-[[4-(2-methoxyphenyl)piperazin-1-yl]methyl]imidazo[1,2-b]pyridazine

6-chloro-2-[[4-(2-methoxyphenyl)piperazin-1-yl]methyl]imidazo[1,2-b]pyridazine (PubChem CID 11581237) has the molecular formula C18H20ClN5O and a molecular weight of 357.85 g/mol. Its IUPAC name is 6-chloro-2-[[4-(2-methoxyphenyl)piperazin-1-yl]methyl]imidazo[1,2-b]pyridazine.

Molecular Properties

Compound Name6-chloro-2-[[4-(2-methoxyphenyl)piperazin-1-yl]methyl]imidazo[1,2-b]pyridazine
PubChem CID11581237
Molecular FormulaC18H20ClN5O
Molecular Weight357.85 g/mol
Exact Mass357.14
IUPAC Name6-chloro-2-[[4-(2-methoxyphenyl)piperazin-1-yl]methyl]imidazo[1,2-b]pyridazine
SMILESCOc1ccccc1N1CCN(Cc2cn3nc(Cl)ccc3n2)CC1
InChIInChI=1S/C18H20ClN5O/c1-25-16-5-3-2-4-15(16)23-10-8-22(9-11-23)12-14-13-24-18(20-14)7-6-17(19)21-24/h2-7,13H,8-12H2,1H3
InChIKeyGSYFEKZSWFXBAB-UHFFFAOYSA-N
XLogP2.71
TPSA45.90 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.85
LogP ≤ 52.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-2-[[4-(2-methoxyphenyl)piperazin-1-yl]methyl]imidazo[1,2-b]pyridazine?
The IUPAC name of 6-chloro-2-[[4-(2-methoxyphenyl)piperazin-1-yl]methyl]imidazo[1,2-b]pyridazine (CID 11581237) is 6-chloro-2-[[4-(2-methoxyphenyl)piperazin-1-yl]methyl]imidazo[1,2-b]pyridazine.
What is the SMILES notation for 6-chloro-2-[[4-(2-methoxyphenyl)piperazin-1-yl]methyl]imidazo[1,2-b]pyridazine?
The canonical SMILES for 6-chloro-2-[[4-(2-methoxyphenyl)piperazin-1-yl]methyl]imidazo[1,2-b]pyridazine is COc1ccccc1N1CCN(Cc2cn3nc(Cl)ccc3n2)CC1.
What is the InChIKey of 6-chloro-2-[[4-(2-methoxyphenyl)piperazin-1-yl]methyl]imidazo[1,2-b]pyridazine?
The InChIKey is GSYFEKZSWFXBAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20ClN5O/c1-25-16-5-3-2-4-15(16)23-10-8-22(9-11-23)12-14-13-24-18(20-14)7-6-17(19)21-24/h2-7,13H,8-12H2,1H3.
What are the key properties of 6-chloro-2-[[4-(2-methoxyphenyl)piperazin-1-yl]methyl]imidazo[1,2-b]pyridazine?
6-chloro-2-[[4-(2-methoxyphenyl)piperazin-1-yl]methyl]imidazo[1,2-b]pyridazine has a molecular weight of 357.85 g/mol, XLogP of 2.71, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-2-[[4-(2-methoxyphenyl)piperazin-1-yl]methyl]imidazo[1,2-b]pyridazine is sourced from PubChem (CID 11581237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).