4-fluoro-6-(2-methyl-8-phenylmethoxyimidazo[1,2-b]pyridazin-6-yl)-2-piperidin-4-yl-1,3-benzothiazole

C26H24FN5OS — CID 150175877

IUPAC4-fluoro-6-(2-methyl-8-phenylmethoxyimidazo[1,2-b]pyridazin-6-yl)-2-piperidin-4-yl-1,3-benzothiazole
SMILESCc1cn2nc(-c3cc(F)c4nc(C5CCNCC5)sc4c3)cc(OCc3ccccc3)c2n1
InChIInChI=1S/C26H24FN5OS/c1-16-14-32-25(29-16)22(33-15-17-5-3-2-4-6-17)13-21(31-32)19-11-20(27)24-23(12-19)34-26(30-24)18-7-9-28-10-8-18/h2-6,11-14,18,28H,7-10,15H2,1H3
InChIKeyFKKCUDCGDDSJSX-UHFFFAOYSA-N
MW473.58 g/mol
LogP5.50
Rot. Bonds5

About 4-fluoro-6-(2-methyl-8-phenylmethoxyimidazo[1,2-b]pyridazin-6-yl)-2-piperidin-4-yl-1,3-benzothiazole

4-fluoro-6-(2-methyl-8-phenylmethoxyimidazo[1,2-b]pyridazin-6-yl)-2-piperidin-4-yl-1,3-benzothiazole (PubChem CID 150175877) has the molecular formula C26H24FN5OS and a molecular weight of 473.58 g/mol. Its IUPAC name is 4-fluoro-6-(2-methyl-8-phenylmethoxyimidazo[1,2-b]pyridazin-6-yl)-2-piperidin-4-yl-1,3-benzothiazole.

Molecular Properties

Compound Name4-fluoro-6-(2-methyl-8-phenylmethoxyimidazo[1,2-b]pyridazin-6-yl)-2-piperidin-4-yl-1,3-benzothiazole
PubChem CID150175877
Molecular FormulaC26H24FN5OS
Molecular Weight473.58 g/mol
Exact Mass473.17
IUPAC Name4-fluoro-6-(2-methyl-8-phenylmethoxyimidazo[1,2-b]pyridazin-6-yl)-2-piperidin-4-yl-1,3-benzothiazole
SMILESCc1cn2nc(-c3cc(F)c4nc(C5CCNCC5)sc4c3)cc(OCc3ccccc3)c2n1
InChIInChI=1S/C26H24FN5OS/c1-16-14-32-25(29-16)22(33-15-17-5-3-2-4-6-17)13-21(31-32)19-11-20(27)24-23(12-19)34-26(30-24)18-7-9-28-10-8-18/h2-6,11-14,18,28H,7-10,15H2,1H3
InChIKeyFKKCUDCGDDSJSX-UHFFFAOYSA-N
XLogP5.50
TPSA64.34 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500473.58
LogP ≤ 55.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 4-fluoro-6-(2-methyl-8-phenylmethoxyimidazo[1,2-b]pyridazin-6-yl)-2-piperidin-4-yl-1,3-benzothiazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-6-(2-methyl-8-phenylmethoxyimidazo[1,2-b]pyridazin-6-yl)-2-piperidin-4-yl-1,3-benzothiazole?
The IUPAC name of 4-fluoro-6-(2-methyl-8-phenylmethoxyimidazo[1,2-b]pyridazin-6-yl)-2-piperidin-4-yl-1,3-benzothiazole (CID 150175877) is 4-fluoro-6-(2-methyl-8-phenylmethoxyimidazo[1,2-b]pyridazin-6-yl)-2-piperidin-4-yl-1,3-benzothiazole.
What is the SMILES notation for 4-fluoro-6-(2-methyl-8-phenylmethoxyimidazo[1,2-b]pyridazin-6-yl)-2-piperidin-4-yl-1,3-benzothiazole?
The canonical SMILES for 4-fluoro-6-(2-methyl-8-phenylmethoxyimidazo[1,2-b]pyridazin-6-yl)-2-piperidin-4-yl-1,3-benzothiazole is Cc1cn2nc(-c3cc(F)c4nc(C5CCNCC5)sc4c3)cc(OCc3ccccc3)c2n1.
What is the InChIKey of 4-fluoro-6-(2-methyl-8-phenylmethoxyimidazo[1,2-b]pyridazin-6-yl)-2-piperidin-4-yl-1,3-benzothiazole?
The InChIKey is FKKCUDCGDDSJSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24FN5OS/c1-16-14-32-25(29-16)22(33-15-17-5-3-2-4-6-17)13-21(31-32)19-11-20(27)24-23(12-19)34-26(30-24)18-7-9-28-10-8-18/h2-6,11-14,18,28H,7-10,15H2,1H3.
What are the key properties of 4-fluoro-6-(2-methyl-8-phenylmethoxyimidazo[1,2-b]pyridazin-6-yl)-2-piperidin-4-yl-1,3-benzothiazole?
4-fluoro-6-(2-methyl-8-phenylmethoxyimidazo[1,2-b]pyridazin-6-yl)-2-piperidin-4-yl-1,3-benzothiazole has a molecular weight of 473.58 g/mol, XLogP of 5.50, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-6-(2-methyl-8-phenylmethoxyimidazo[1,2-b]pyridazin-6-yl)-2-piperidin-4-yl-1,3-benzothiazole is sourced from PubChem (CID 150175877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).