6-(4-fluoro-2-piperidin-4-yl-1,3-benzothiazol-6-yl)-2-methylimidazo[1,2-b]pyridazine-8-carbonitrile

C20H17FN6S — CID 151764169

IUPAC6-(4-fluoro-2-piperidin-4-yl-1,3-benzothiazol-6-yl)-2-methylimidazo[1,2-b]pyridazine-8-carbonitrile
SMILESCc1cn2nc(-c3cc(F)c4nc(C5CCNCC5)sc4c3)cc(C#N)c2n1
InChIInChI=1S/C20H17FN6S/c1-11-10-27-19(24-11)14(9-22)7-16(26-27)13-6-15(21)18-17(8-13)28-20(25-18)12-2-4-23-5-3-12/h6-8,10,12,23H,2-5H2,1H3
InChIKeyRREXZGGOSANXIZ-UHFFFAOYSA-N
MW392.46 g/mol
LogP3.79
Rot. Bonds2

About 6-(4-fluoro-2-piperidin-4-yl-1,3-benzothiazol-6-yl)-2-methylimidazo[1,2-b]pyridazine-8-carbonitrile

6-(4-fluoro-2-piperidin-4-yl-1,3-benzothiazol-6-yl)-2-methylimidazo[1,2-b]pyridazine-8-carbonitrile (PubChem CID 151764169) has the molecular formula C20H17FN6S and a molecular weight of 392.46 g/mol. Its IUPAC name is 6-(4-fluoro-2-piperidin-4-yl-1,3-benzothiazol-6-yl)-2-methylimidazo[1,2-b]pyridazine-8-carbonitrile.

Molecular Properties

Compound Name6-(4-fluoro-2-piperidin-4-yl-1,3-benzothiazol-6-yl)-2-methylimidazo[1,2-b]pyridazine-8-carbonitrile
PubChem CID151764169
Molecular FormulaC20H17FN6S
Molecular Weight392.46 g/mol
Exact Mass392.12
IUPAC Name6-(4-fluoro-2-piperidin-4-yl-1,3-benzothiazol-6-yl)-2-methylimidazo[1,2-b]pyridazine-8-carbonitrile
SMILESCc1cn2nc(-c3cc(F)c4nc(C5CCNCC5)sc4c3)cc(C#N)c2n1
InChIInChI=1S/C20H17FN6S/c1-11-10-27-19(24-11)14(9-22)7-16(26-27)13-6-15(21)18-17(8-13)28-20(25-18)12-2-4-23-5-3-12/h6-8,10,12,23H,2-5H2,1H3
InChIKeyRREXZGGOSANXIZ-UHFFFAOYSA-N
XLogP3.79
TPSA78.90 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.46
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 6-(4-fluoro-2-piperidin-4-yl-1,3-benzothiazol-6-yl)-2-methylimidazo[1,2-b]pyridazine-8-carbonitrile?
The IUPAC name of 6-(4-fluoro-2-piperidin-4-yl-1,3-benzothiazol-6-yl)-2-methylimidazo[1,2-b]pyridazine-8-carbonitrile (CID 151764169) is 6-(4-fluoro-2-piperidin-4-yl-1,3-benzothiazol-6-yl)-2-methylimidazo[1,2-b]pyridazine-8-carbonitrile.
What is the SMILES notation for 6-(4-fluoro-2-piperidin-4-yl-1,3-benzothiazol-6-yl)-2-methylimidazo[1,2-b]pyridazine-8-carbonitrile?
The canonical SMILES for 6-(4-fluoro-2-piperidin-4-yl-1,3-benzothiazol-6-yl)-2-methylimidazo[1,2-b]pyridazine-8-carbonitrile is Cc1cn2nc(-c3cc(F)c4nc(C5CCNCC5)sc4c3)cc(C#N)c2n1.
What is the InChIKey of 6-(4-fluoro-2-piperidin-4-yl-1,3-benzothiazol-6-yl)-2-methylimidazo[1,2-b]pyridazine-8-carbonitrile?
The InChIKey is RREXZGGOSANXIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17FN6S/c1-11-10-27-19(24-11)14(9-22)7-16(26-27)13-6-15(21)18-17(8-13)28-20(25-18)12-2-4-23-5-3-12/h6-8,10,12,23H,2-5H2,1H3.
What are the key properties of 6-(4-fluoro-2-piperidin-4-yl-1,3-benzothiazol-6-yl)-2-methylimidazo[1,2-b]pyridazine-8-carbonitrile?
6-(4-fluoro-2-piperidin-4-yl-1,3-benzothiazol-6-yl)-2-methylimidazo[1,2-b]pyridazine-8-carbonitrile has a molecular weight of 392.46 g/mol, XLogP of 3.79, 2 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-fluoro-2-piperidin-4-yl-1,3-benzothiazol-6-yl)-2-methylimidazo[1,2-b]pyridazine-8-carbonitrile is sourced from PubChem (CID 151764169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).