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

C17H17ClFN5 — CID 11638780

IUPAC6-chloro-2-[[4-(4-fluorophenyl)piperazin-1-yl]methyl]imidazo[1,2-b]pyridazine
SMILESFc1ccc(N2CCN(Cc3cn4nc(Cl)ccc4n3)CC2)cc1
InChIInChI=1S/C17H17ClFN5/c18-16-5-6-17-20-14(12-24(17)21-16)11-22-7-9-23(10-8-22)15-3-1-13(19)2-4-15/h1-6,12H,7-11H2
InChIKeyKLWCGZRXATXKMS-UHFFFAOYSA-N
MW345.81 g/mol
LogP2.84
Rot. Bonds3

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

6-chloro-2-[[4-(4-fluorophenyl)piperazin-1-yl]methyl]imidazo[1,2-b]pyridazine (PubChem CID 11638780) has the molecular formula C17H17ClFN5 and a molecular weight of 345.81 g/mol. Its IUPAC name is 6-chloro-2-[[4-(4-fluorophenyl)piperazin-1-yl]methyl]imidazo[1,2-b]pyridazine.

Molecular Properties

Compound Name6-chloro-2-[[4-(4-fluorophenyl)piperazin-1-yl]methyl]imidazo[1,2-b]pyridazine
PubChem CID11638780
Molecular FormulaC17H17ClFN5
Molecular Weight345.81 g/mol
Exact Mass345.12
IUPAC Name6-chloro-2-[[4-(4-fluorophenyl)piperazin-1-yl]methyl]imidazo[1,2-b]pyridazine
SMILESFc1ccc(N2CCN(Cc3cn4nc(Cl)ccc4n3)CC2)cc1
InChIInChI=1S/C17H17ClFN5/c18-16-5-6-17-20-14(12-24(17)21-16)11-22-7-9-23(10-8-22)15-3-1-13(19)2-4-15/h1-6,12H,7-11H2
InChIKeyKLWCGZRXATXKMS-UHFFFAOYSA-N
XLogP2.84
TPSA36.67 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.81
LogP ≤ 52.84
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-fluorophenyl)piperazin-1-yl]methyl]imidazo[1,2-b]pyridazine?
The IUPAC name of 6-chloro-2-[[4-(4-fluorophenyl)piperazin-1-yl]methyl]imidazo[1,2-b]pyridazine (CID 11638780) is 6-chloro-2-[[4-(4-fluorophenyl)piperazin-1-yl]methyl]imidazo[1,2-b]pyridazine.
What is the SMILES notation for 6-chloro-2-[[4-(4-fluorophenyl)piperazin-1-yl]methyl]imidazo[1,2-b]pyridazine?
The canonical SMILES for 6-chloro-2-[[4-(4-fluorophenyl)piperazin-1-yl]methyl]imidazo[1,2-b]pyridazine is Fc1ccc(N2CCN(Cc3cn4nc(Cl)ccc4n3)CC2)cc1.
What is the InChIKey of 6-chloro-2-[[4-(4-fluorophenyl)piperazin-1-yl]methyl]imidazo[1,2-b]pyridazine?
The InChIKey is KLWCGZRXATXKMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17ClFN5/c18-16-5-6-17-20-14(12-24(17)21-16)11-22-7-9-23(10-8-22)15-3-1-13(19)2-4-15/h1-6,12H,7-11H2.
What are the key properties of 6-chloro-2-[[4-(4-fluorophenyl)piperazin-1-yl]methyl]imidazo[1,2-b]pyridazine?
6-chloro-2-[[4-(4-fluorophenyl)piperazin-1-yl]methyl]imidazo[1,2-b]pyridazine has a molecular weight of 345.81 g/mol, XLogP of 2.84, 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-fluorophenyl)piperazin-1-yl]methyl]imidazo[1,2-b]pyridazine is sourced from PubChem (CID 11638780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).