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

C17H17Cl2N5 — CID 11559581

IUPAC6-chloro-2-[[4-(4-chlorophenyl)piperazin-1-yl]methyl]imidazo[1,2-b]pyridazine
SMILESClc1ccc(N2CCN(Cc3cn4nc(Cl)ccc4n3)CC2)cc1
InChIInChI=1S/C17H17Cl2N5/c18-13-1-3-15(4-2-13)23-9-7-22(8-10-23)11-14-12-24-17(20-14)6-5-16(19)21-24/h1-6,12H,7-11H2
InChIKeyAGMWTWZTMQSDHF-UHFFFAOYSA-N
MW362.26 g/mol
LogP3.36
Rot. Bonds3

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

6-chloro-2-[[4-(4-chlorophenyl)piperazin-1-yl]methyl]imidazo[1,2-b]pyridazine (PubChem CID 11559581) has the molecular formula C17H17Cl2N5 and a molecular weight of 362.26 g/mol. Its IUPAC name is 6-chloro-2-[[4-(4-chlorophenyl)piperazin-1-yl]methyl]imidazo[1,2-b]pyridazine.

Molecular Properties

Compound Name6-chloro-2-[[4-(4-chlorophenyl)piperazin-1-yl]methyl]imidazo[1,2-b]pyridazine
PubChem CID11559581
Molecular FormulaC17H17Cl2N5
Molecular Weight362.26 g/mol
Exact Mass361.09
IUPAC Name6-chloro-2-[[4-(4-chlorophenyl)piperazin-1-yl]methyl]imidazo[1,2-b]pyridazine
SMILESClc1ccc(N2CCN(Cc3cn4nc(Cl)ccc4n3)CC2)cc1
InChIInChI=1S/C17H17Cl2N5/c18-13-1-3-15(4-2-13)23-9-7-22(8-10-23)11-14-12-24-17(20-14)6-5-16(19)21-24/h1-6,12H,7-11H2
InChIKeyAGMWTWZTMQSDHF-UHFFFAOYSA-N
XLogP3.36
TPSA36.67 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.26
LogP ≤ 53.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-2-[[4-(4-chlorophenyl)piperazin-1-yl]methyl]imidazo[1,2-b]pyridazine?
The IUPAC name of 6-chloro-2-[[4-(4-chlorophenyl)piperazin-1-yl]methyl]imidazo[1,2-b]pyridazine (CID 11559581) is 6-chloro-2-[[4-(4-chlorophenyl)piperazin-1-yl]methyl]imidazo[1,2-b]pyridazine.
What is the SMILES notation for 6-chloro-2-[[4-(4-chlorophenyl)piperazin-1-yl]methyl]imidazo[1,2-b]pyridazine?
The canonical SMILES for 6-chloro-2-[[4-(4-chlorophenyl)piperazin-1-yl]methyl]imidazo[1,2-b]pyridazine is Clc1ccc(N2CCN(Cc3cn4nc(Cl)ccc4n3)CC2)cc1.
What is the InChIKey of 6-chloro-2-[[4-(4-chlorophenyl)piperazin-1-yl]methyl]imidazo[1,2-b]pyridazine?
The InChIKey is AGMWTWZTMQSDHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17Cl2N5/c18-13-1-3-15(4-2-13)23-9-7-22(8-10-23)11-14-12-24-17(20-14)6-5-16(19)21-24/h1-6,12H,7-11H2.
What are the key properties of 6-chloro-2-[[4-(4-chlorophenyl)piperazin-1-yl]methyl]imidazo[1,2-b]pyridazine?
6-chloro-2-[[4-(4-chlorophenyl)piperazin-1-yl]methyl]imidazo[1,2-b]pyridazine has a molecular weight of 362.26 g/mol, XLogP of 3.36, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-2-[[4-(4-chlorophenyl)piperazin-1-yl]methyl]imidazo[1,2-b]pyridazine is sourced from PubChem (CID 11559581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).