6-(4-fluoro-2-piperidin-4-yl-1,3-benzothiazol-6-yl)-2-methylimidazo[1,2-b]pyridazine-8-carboxylic acid;hydrochloride

C20H19ClFN5O2S — CID 153383025

IUPAC6-(4-fluoro-2-piperidin-4-yl-1,3-benzothiazol-6-yl)-2-methylimidazo[1,2-b]pyridazine-8-carboxylic acid;hydrochloride
SMILESCc1cn2nc(-c3cc(F)c4nc(C5CCNCC5)sc4c3)cc(C(=O)O)c2n1.Cl
InChIInChI=1S/C20H18FN5O2S.ClH/c1-10-9-26-18(23-10)13(20(27)28)8-15(25-26)12-6-14(21)17-16(7-12)29-19(24-17)11-2-4-22-5-3-11;/h6-9,11,22H,2-5H2,1H3,(H,27,28);1H
InChIKeyYEEVJLJIHVLTCZ-UHFFFAOYSA-N
MW447.92 g/mol
LogP4.04
Rot. Bonds3

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

6-(4-fluoro-2-piperidin-4-yl-1,3-benzothiazol-6-yl)-2-methylimidazo[1,2-b]pyridazine-8-carboxylic acid;hydrochloride (PubChem CID 153383025) has the molecular formula C20H19ClFN5O2S and a molecular weight of 447.92 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-carboxylic acid;hydrochloride.

Molecular Properties

Compound Name6-(4-fluoro-2-piperidin-4-yl-1,3-benzothiazol-6-yl)-2-methylimidazo[1,2-b]pyridazine-8-carboxylic acid;hydrochloride
PubChem CID153383025
Molecular FormulaC20H19ClFN5O2S
Molecular Weight447.92 g/mol
Exact Mass447.09
IUPAC Name6-(4-fluoro-2-piperidin-4-yl-1,3-benzothiazol-6-yl)-2-methylimidazo[1,2-b]pyridazine-8-carboxylic acid;hydrochloride
SMILESCc1cn2nc(-c3cc(F)c4nc(C5CCNCC5)sc4c3)cc(C(=O)O)c2n1.Cl
InChIInChI=1S/C20H18FN5O2S.ClH/c1-10-9-26-18(23-10)13(20(27)28)8-15(25-26)12-6-14(21)17-16(7-12)29-19(24-17)11-2-4-22-5-3-11;/h6-9,11,22H,2-5H2,1H3,(H,27,28);1H
InChIKeyYEEVJLJIHVLTCZ-UHFFFAOYSA-N
XLogP4.04
TPSA92.41 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.92
LogP ≤ 54.04
H-Bond Donors ≤ 52
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-carboxylic acid;hydrochloride?
The IUPAC name of 6-(4-fluoro-2-piperidin-4-yl-1,3-benzothiazol-6-yl)-2-methylimidazo[1,2-b]pyridazine-8-carboxylic acid;hydrochloride (CID 153383025) is 6-(4-fluoro-2-piperidin-4-yl-1,3-benzothiazol-6-yl)-2-methylimidazo[1,2-b]pyridazine-8-carboxylic acid;hydrochloride.
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-carboxylic acid;hydrochloride?
The canonical SMILES for 6-(4-fluoro-2-piperidin-4-yl-1,3-benzothiazol-6-yl)-2-methylimidazo[1,2-b]pyridazine-8-carboxylic acid;hydrochloride is Cc1cn2nc(-c3cc(F)c4nc(C5CCNCC5)sc4c3)cc(C(=O)O)c2n1.Cl.
What is the InChIKey of 6-(4-fluoro-2-piperidin-4-yl-1,3-benzothiazol-6-yl)-2-methylimidazo[1,2-b]pyridazine-8-carboxylic acid;hydrochloride?
The InChIKey is YEEVJLJIHVLTCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18FN5O2S.ClH/c1-10-9-26-18(23-10)13(20(27)28)8-15(25-26)12-6-14(21)17-16(7-12)29-19(24-17)11-2-4-22-5-3-11;/h6-9,11,22H,2-5H2,1H3,(H,27,28);1H.
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-carboxylic acid;hydrochloride?
6-(4-fluoro-2-piperidin-4-yl-1,3-benzothiazol-6-yl)-2-methylimidazo[1,2-b]pyridazine-8-carboxylic acid;hydrochloride has a molecular weight of 447.92 g/mol, XLogP of 4.04, 3 rotatable bonds, 2 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-carboxylic acid;hydrochloride is sourced from PubChem (CID 153383025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).