4-fluoro-6-(2-methylpyrazolo[4,3-b]pyridin-5-yl)-2-piperidin-4-yl-1,3-benzothiazole;hydrochloride

C19H19ClFN5S — CID 153383573

IUPAC4-fluoro-6-(2-methylpyrazolo[4,3-b]pyridin-5-yl)-2-piperidin-4-yl-1,3-benzothiazole;hydrochloride
SMILESCl.Cn1cc2nc(-c3cc(F)c4nc(C5CCNCC5)sc4c3)ccc2n1
InChIInChI=1S/C19H18FN5S.ClH/c1-25-10-16-15(24-25)3-2-14(22-16)12-8-13(20)18-17(9-12)26-19(23-18)11-4-6-21-7-5-11;/h2-3,8-11,21H,4-7H2,1H3;1H
InChIKeyILNPNWUGYGTASV-UHFFFAOYSA-N
MW403.91 g/mol
LogP4.27
Rot. Bonds2

About 4-fluoro-6-(2-methylpyrazolo[4,3-b]pyridin-5-yl)-2-piperidin-4-yl-1,3-benzothiazole;hydrochloride

4-fluoro-6-(2-methylpyrazolo[4,3-b]pyridin-5-yl)-2-piperidin-4-yl-1,3-benzothiazole;hydrochloride (PubChem CID 153383573) has the molecular formula C19H19ClFN5S and a molecular weight of 403.91 g/mol. Its IUPAC name is 4-fluoro-6-(2-methylpyrazolo[4,3-b]pyridin-5-yl)-2-piperidin-4-yl-1,3-benzothiazole;hydrochloride.

Molecular Properties

Compound Name4-fluoro-6-(2-methylpyrazolo[4,3-b]pyridin-5-yl)-2-piperidin-4-yl-1,3-benzothiazole;hydrochloride
PubChem CID153383573
Molecular FormulaC19H19ClFN5S
Molecular Weight403.91 g/mol
Exact Mass403.10
IUPAC Name4-fluoro-6-(2-methylpyrazolo[4,3-b]pyridin-5-yl)-2-piperidin-4-yl-1,3-benzothiazole;hydrochloride
SMILESCl.Cn1cc2nc(-c3cc(F)c4nc(C5CCNCC5)sc4c3)ccc2n1
InChIInChI=1S/C19H18FN5S.ClH/c1-25-10-16-15(24-25)3-2-14(22-16)12-8-13(20)18-17(9-12)26-19(23-18)11-4-6-21-7-5-11;/h2-3,8-11,21H,4-7H2,1H3;1H
InChIKeyILNPNWUGYGTASV-UHFFFAOYSA-N
XLogP4.27
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.91
LogP ≤ 54.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-fluoro-6-(2-methylpyrazolo[4,3-b]pyridin-5-yl)-2-piperidin-4-yl-1,3-benzothiazole;hydrochloride?
The IUPAC name of 4-fluoro-6-(2-methylpyrazolo[4,3-b]pyridin-5-yl)-2-piperidin-4-yl-1,3-benzothiazole;hydrochloride (CID 153383573) is 4-fluoro-6-(2-methylpyrazolo[4,3-b]pyridin-5-yl)-2-piperidin-4-yl-1,3-benzothiazole;hydrochloride.
What is the SMILES notation for 4-fluoro-6-(2-methylpyrazolo[4,3-b]pyridin-5-yl)-2-piperidin-4-yl-1,3-benzothiazole;hydrochloride?
The canonical SMILES for 4-fluoro-6-(2-methylpyrazolo[4,3-b]pyridin-5-yl)-2-piperidin-4-yl-1,3-benzothiazole;hydrochloride is Cl.Cn1cc2nc(-c3cc(F)c4nc(C5CCNCC5)sc4c3)ccc2n1.
What is the InChIKey of 4-fluoro-6-(2-methylpyrazolo[4,3-b]pyridin-5-yl)-2-piperidin-4-yl-1,3-benzothiazole;hydrochloride?
The InChIKey is ILNPNWUGYGTASV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18FN5S.ClH/c1-25-10-16-15(24-25)3-2-14(22-16)12-8-13(20)18-17(9-12)26-19(23-18)11-4-6-21-7-5-11;/h2-3,8-11,21H,4-7H2,1H3;1H.
What are the key properties of 4-fluoro-6-(2-methylpyrazolo[4,3-b]pyridin-5-yl)-2-piperidin-4-yl-1,3-benzothiazole;hydrochloride?
4-fluoro-6-(2-methylpyrazolo[4,3-b]pyridin-5-yl)-2-piperidin-4-yl-1,3-benzothiazole;hydrochloride has a molecular weight of 403.91 g/mol, XLogP of 4.27, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-6-(2-methylpyrazolo[4,3-b]pyridin-5-yl)-2-piperidin-4-yl-1,3-benzothiazole;hydrochloride is sourced from PubChem (CID 153383573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).