4-fluoro-6-(2-methylimidazo[1,2-b]pyridazin-6-yl)-2-piperidin-4-yl-1,3-benzothiazole;4-fluoro-6-(2-methylimidazo[1,2-b]pyridazin-6-yl)-2-(1,2,3,6-tetrahydropyridin-4-yl)-1,3-benzothiazole;2-(2-methylindazol-5-yl)-6-piperidin-4-yl-[1,3]thiazolo[4,5-b]pyridine

C57H53F2N15S3 — CID 157373145

About 4-fluoro-6-(2-methylimidazo[1,2-b]pyridazin-6-yl)-2-piperidin-4-yl-1,3-benzothiazole;4-fluoro-6-(2-methylimidazo[1,2-b]pyridazin-6-yl)-2-(1,2,3,6-tetrahydropyridin-4-yl)-1,3-benzothiazole;2-(2-methylindazol-5-yl)-6-piperidin-4-yl-[1,3]thiazolo[4,5-b]pyridine

4-fluoro-6-(2-methylimidazo[1,2-b]pyridazin-6-yl)-2-piperidin-4-yl-1,3-benzothiazole;4-fluoro-6-(2-methylimidazo[1,2-b]pyridazin-6-yl)-2-(1,2,3,6-tetrahydropyridin-4-yl)-1,3-benzothiazole;2-(2-methylindazol-5-yl)-6-piperidin-4-yl-[1,3]thiazolo[4,5-b]pyridine (PubChem CID 157373145) has the molecular formula C57H53F2N15S3 and a molecular weight of 1082.35 g/mol. Its IUPAC name is 4-fluoro-6-(2-methylimidazo[1,2-b]pyridazin-6-yl)-2-piperidin-4-yl-1,3-benzothiazole;4-fluoro-6-(2-methylimidazo[1,2-b]pyridazin-6-yl)-2-(1,2,3,6-tetrahydropyridin-4-yl)-1,3-benzothiazole;2-(2-methylindazol-5-yl)-6-piperidin-4-yl-[1,3]thiazolo[4,5-b]pyridine.

Molecular Properties

• Compound Name: 4-fluoro-6-(2-methylimidazo[1,2-b]pyridazin-6-yl)-2-piperidin-4-yl-1,3-benzothiazole;4-fluoro-6-(2-methylimidazo[1,2-b]pyridazin-6-yl)-2-(1,2,3,6-tetrahydropyridin-4-yl)-1,3-benzothiazole;2-(2-methylindazol-5-yl)-6-piperidin-4-yl-[1,3]thiazolo[4,5-b]pyridine
• PubChem CID: 157373145
• Molecular Formula: C57H53F2N15S3
• Molecular Weight: 1082.35 g/mol
• Exact Mass: 1081.37
• IUPAC Name: 4-fluoro-6-(2-methylimidazo[1,2-b]pyridazin-6-yl)-2-piperidin-4-yl-1,3-benzothiazole;4-fluoro-6-(2-methylimidazo[1,2-b]pyridazin-6-yl)-2-(1,2,3,6-tetrahydropyridin-4-yl)-1,3-benzothiazole;2-(2-methylindazol-5-yl)-6-piperidin-4-yl-[1,3]thiazolo[4,5-b]pyridine
• SMILES: Cc1cn2nc(-c3cc(F)c4nc(C5=CCNCC5)sc4c3)ccc2n1.Cc1cn2nc(-c3cc(F)c4nc(C5CCNCC5)sc4c3)ccc2n1.Cn1cc2cc(-c3nc4ncc(C5CCNCC5)cc4s3)ccc2n1
• InChI: InChI=1S/C19H18FN5S.C19H16FN5S.C19H19N5S/c2*1-11-10-25-17(22-11)3-2-15(24-25)13-8-14(20)18-16(9-13)26-19(23-18)12-4-6-21-7-5-12;1-24-11-15-8-13(2-3-16(15)23-24)19-22-18-17(25-19)9-14(10-21-18)12-4-6-20-7-5-12/h2-3,8-10,12,21H,4-7H2,1H3;2-4,8-10,21H,5-7H2,1H3;2-3,8-12,20H,4-7H2,1H3
• InChIKey: BJZRSBWLERMLBI-UHFFFAOYSA-N
• XLogP: 11.46
• TPSA: 165.85 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 18
• Rotatable Bonds: 6
• Heavy Atoms: 77
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1082.35
LogP ≤ 5	11.46
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	18

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-6-(2-methylimidazo[1,2-b]pyridazin-6-yl)-2-piperidin-4-yl-1,3-benzothiazole;4-fluoro-6-(2-methylimidazo[1,2-b]pyridazin-6-yl)-2-(1,2,3,6-tetrahydropyridin-4-yl)-1,3-benzothiazole;2-(2-methylindazol-5-yl)-6-piperidin-4-yl-[1,3]thiazolo[4,5-b]pyridine?

The IUPAC name of 4-fluoro-6-(2-methylimidazo[1,2-b]pyridazin-6-yl)-2-piperidin-4-yl-1,3-benzothiazole;4-fluoro-6-(2-methylimidazo[1,2-b]pyridazin-6-yl)-2-(1,2,3,6-tetrahydropyridin-4-yl)-1,3-benzothiazole;2-(2-methylindazol-5-yl)-6-piperidin-4-yl-[1,3]thiazolo[4,5-b]pyridine (CID 157373145) is 4-fluoro-6-(2-methylimidazo[1,2-b]pyridazin-6-yl)-2-piperidin-4-yl-1,3-benzothiazole;4-fluoro-6-(2-methylimidazo[1,2-b]pyridazin-6-yl)-2-(1,2,3,6-tetrahydropyridin-4-yl)-1,3-benzothiazole;2-(2-methylindazol-5-yl)-6-piperidin-4-yl-[1,3]thiazolo[4,5-b]pyridine.

What is the SMILES notation for 4-fluoro-6-(2-methylimidazo[1,2-b]pyridazin-6-yl)-2-piperidin-4-yl-1,3-benzothiazole;4-fluoro-6-(2-methylimidazo[1,2-b]pyridazin-6-yl)-2-(1,2,3,6-tetrahydropyridin-4-yl)-1,3-benzothiazole;2-(2-methylindazol-5-yl)-6-piperidin-4-yl-[1,3]thiazolo[4,5-b]pyridine?

The canonical SMILES for 4-fluoro-6-(2-methylimidazo[1,2-b]pyridazin-6-yl)-2-piperidin-4-yl-1,3-benzothiazole;4-fluoro-6-(2-methylimidazo[1,2-b]pyridazin-6-yl)-2-(1,2,3,6-tetrahydropyridin-4-yl)-1,3-benzothiazole;2-(2-methylindazol-5-yl)-6-piperidin-4-yl-[1,3]thiazolo[4,5-b]pyridine is Cc1cn2nc(-c3cc(F)c4nc(C5=CCNCC5)sc4c3)ccc2n1.Cc1cn2nc(-c3cc(F)c4nc(C5CCNCC5)sc4c3)ccc2n1.Cn1cc2cc(-c3nc4ncc(C5CCNCC5)cc4s3)ccc2n1.

What is the InChIKey of 4-fluoro-6-(2-methylimidazo[1,2-b]pyridazin-6-yl)-2-piperidin-4-yl-1,3-benzothiazole;4-fluoro-6-(2-methylimidazo[1,2-b]pyridazin-6-yl)-2-(1,2,3,6-tetrahydropyridin-4-yl)-1,3-benzothiazole;2-(2-methylindazol-5-yl)-6-piperidin-4-yl-[1,3]thiazolo[4,5-b]pyridine?

The InChIKey is BJZRSBWLERMLBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18FN5S.C19H16FN5S.C19H19N5S/c2*1-11-10-25-17(22-11)3-2-15(24-25)13-8-14(20)18-16(9-13)26-19(23-18)12-4-6-21-7-5-12;1-24-11-15-8-13(2-3-16(15)23-24)19-22-18-17(25-19)9-14(10-21-18)12-4-6-20-7-5-12/h2-3,8-10,12,21H,4-7H2,1H3;2-4,8-10,21H,5-7H2,1H3;2-3,8-12,20H,4-7H2,1H3.

What are the key properties of 4-fluoro-6-(2-methylimidazo[1,2-b]pyridazin-6-yl)-2-piperidin-4-yl-1,3-benzothiazole;4-fluoro-6-(2-methylimidazo[1,2-b]pyridazin-6-yl)-2-(1,2,3,6-tetrahydropyridin-4-yl)-1,3-benzothiazole;2-(2-methylindazol-5-yl)-6-piperidin-4-yl-[1,3]thiazolo[4,5-b]pyridine?

4-fluoro-6-(2-methylimidazo[1,2-b]pyridazin-6-yl)-2-piperidin-4-yl-1,3-benzothiazole;4-fluoro-6-(2-methylimidazo[1,2-b]pyridazin-6-yl)-2-(1,2,3,6-tetrahydropyridin-4-yl)-1,3-benzothiazole;2-(2-methylindazol-5-yl)-6-piperidin-4-yl-[1,3]thiazolo[4,5-b]pyridine has a molecular weight of 1082.35 g/mol, XLogP of 11.46, 6 rotatable bonds, 3 hydrogen bond donors, and 18 hydrogen bond acceptors.

Where does this data come from?

All data for 4-fluoro-6-(2-methylimidazo[1,2-b]pyridazin-6-yl)-2-piperidin-4-yl-1,3-benzothiazole;4-fluoro-6-(2-methylimidazo[1,2-b]pyridazin-6-yl)-2-(1,2,3,6-tetrahydropyridin-4-yl)-1,3-benzothiazole;2-(2-methylindazol-5-yl)-6-piperidin-4-yl-[1,3]thiazolo[4,5-b]pyridine is sourced from PubChem (CID 157373145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).