6-chloro-8-[3-(4-fluorophenyl)-1-methylpyrazol-4-yl]-2-methylimidazo[1,2-b]pyridazine

C17H13ClFN5 — CID 167125915

IUPAC6-chloro-8-[3-(4-fluorophenyl)-1-methylpyrazol-4-yl]-2-methylimidazo[1,2-b]pyridazine
SMILESCc1cn2nc(Cl)cc(-c3cn(C)nc3-c3ccc(F)cc3)c2n1
InChIInChI=1S/C17H13ClFN5/c1-10-8-24-17(20-10)13(7-15(18)21-24)14-9-23(2)22-16(14)11-3-5-12(19)6-4-11/h3-9H,1-2H3
InChIKeyHVOQRWFVKUDAED-UHFFFAOYSA-N
MW341.78 g/mol
LogP3.90
Rot. Bonds2

About 6-chloro-8-[3-(4-fluorophenyl)-1-methylpyrazol-4-yl]-2-methylimidazo[1,2-b]pyridazine

6-chloro-8-[3-(4-fluorophenyl)-1-methylpyrazol-4-yl]-2-methylimidazo[1,2-b]pyridazine (PubChem CID 167125915) has the molecular formula C17H13ClFN5 and a molecular weight of 341.78 g/mol. Its IUPAC name is 6-chloro-8-[3-(4-fluorophenyl)-1-methylpyrazol-4-yl]-2-methylimidazo[1,2-b]pyridazine.

Molecular Properties

Compound Name6-chloro-8-[3-(4-fluorophenyl)-1-methylpyrazol-4-yl]-2-methylimidazo[1,2-b]pyridazine
PubChem CID167125915
Molecular FormulaC17H13ClFN5
Molecular Weight341.78 g/mol
Exact Mass341.08
IUPAC Name6-chloro-8-[3-(4-fluorophenyl)-1-methylpyrazol-4-yl]-2-methylimidazo[1,2-b]pyridazine
SMILESCc1cn2nc(Cl)cc(-c3cn(C)nc3-c3ccc(F)cc3)c2n1
InChIInChI=1S/C17H13ClFN5/c1-10-8-24-17(20-10)13(7-15(18)21-24)14-9-23(2)22-16(14)11-3-5-12(19)6-4-11/h3-9H,1-2H3
InChIKeyHVOQRWFVKUDAED-UHFFFAOYSA-N
XLogP3.90
TPSA48.01 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.78
LogP ≤ 53.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-8-[3-(4-fluorophenyl)-1-methylpyrazol-4-yl]-2-methylimidazo[1,2-b]pyridazine?
The IUPAC name of 6-chloro-8-[3-(4-fluorophenyl)-1-methylpyrazol-4-yl]-2-methylimidazo[1,2-b]pyridazine (CID 167125915) is 6-chloro-8-[3-(4-fluorophenyl)-1-methylpyrazol-4-yl]-2-methylimidazo[1,2-b]pyridazine.
What is the SMILES notation for 6-chloro-8-[3-(4-fluorophenyl)-1-methylpyrazol-4-yl]-2-methylimidazo[1,2-b]pyridazine?
The canonical SMILES for 6-chloro-8-[3-(4-fluorophenyl)-1-methylpyrazol-4-yl]-2-methylimidazo[1,2-b]pyridazine is Cc1cn2nc(Cl)cc(-c3cn(C)nc3-c3ccc(F)cc3)c2n1.
What is the InChIKey of 6-chloro-8-[3-(4-fluorophenyl)-1-methylpyrazol-4-yl]-2-methylimidazo[1,2-b]pyridazine?
The InChIKey is HVOQRWFVKUDAED-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13ClFN5/c1-10-8-24-17(20-10)13(7-15(18)21-24)14-9-23(2)22-16(14)11-3-5-12(19)6-4-11/h3-9H,1-2H3.
What are the key properties of 6-chloro-8-[3-(4-fluorophenyl)-1-methylpyrazol-4-yl]-2-methylimidazo[1,2-b]pyridazine?
6-chloro-8-[3-(4-fluorophenyl)-1-methylpyrazol-4-yl]-2-methylimidazo[1,2-b]pyridazine has a molecular weight of 341.78 g/mol, XLogP of 3.90, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-8-[3-(4-fluorophenyl)-1-methylpyrazol-4-yl]-2-methylimidazo[1,2-b]pyridazine is sourced from PubChem (CID 167125915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).