6-[3-(4-fluorophenyl)-1-methyl-5-[1-(1,3-thiazol-2-ylmethyl)piperidin-4-yl]pyrazol-4-yl]-N-methylimidazo[1,2-b]pyridazin-2-amine

C26H27FN8S — CID 126607552

About 6-[3-(4-fluorophenyl)-1-methyl-5-[1-(1,3-thiazol-2-ylmethyl)piperidin-4-yl]pyrazol-4-yl]-N-methylimidazo[1,2-b]pyridazin-2-amine

6-[3-(4-fluorophenyl)-1-methyl-5-[1-(1,3-thiazol-2-ylmethyl)piperidin-4-yl]pyrazol-4-yl]-N-methylimidazo[1,2-b]pyridazin-2-amine (PubChem CID 126607552) has the molecular formula C26H27FN8S and a molecular weight of 502.62 g/mol. Its IUPAC name is 6-[3-(4-fluorophenyl)-1-methyl-5-[1-(1,3-thiazol-2-ylmethyl)piperidin-4-yl]pyrazol-4-yl]-N-methylimidazo[1,2-b]pyridazin-2-amine.

Molecular Properties

• Compound Name: 6-[3-(4-fluorophenyl)-1-methyl-5-[1-(1,3-thiazol-2-ylmethyl)piperidin-4-yl]pyrazol-4-yl]-N-methylimidazo[1,2-b]pyridazin-2-amine
• PubChem CID: 126607552
• Molecular Formula: C26H27FN8S
• Molecular Weight: 502.62 g/mol
• Exact Mass: 502.21
• IUPAC Name: 6-[3-(4-fluorophenyl)-1-methyl-5-[1-(1,3-thiazol-2-ylmethyl)piperidin-4-yl]pyrazol-4-yl]-N-methylimidazo[1,2-b]pyridazin-2-amine
• SMILES: CNc1cn2nc(-c3c(-c4ccc(F)cc4)nn(C)c3C3CCN(Cc4nccs4)CC3)ccc2n1
• InChI: InChI=1S/C26H27FN8S/c1-28-21-15-35-22(30-21)8-7-20(31-35)24-25(17-3-5-19(27)6-4-17)32-33(2)26(24)18-9-12-34(13-10-18)16-23-29-11-14-36-23/h3-8,11,14-15,18,28H,9-10,12-13,16H2,1-2H3
• InChIKey: VLOXMKITOSHLBH-UHFFFAOYSA-N
• XLogP: 4.81
• TPSA: 76.17 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 9
• Rotatable Bonds: 6
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	502.62
LogP ≤ 5	4.81
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of 6-[3-(4-fluorophenyl)-1-methyl-5-[1-(1,3-thiazol-2-ylmethyl)piperidin-4-yl]pyrazol-4-yl]-N-methylimidazo[1,2-b]pyridazin-2-amine?

The IUPAC name of 6-[3-(4-fluorophenyl)-1-methyl-5-[1-(1,3-thiazol-2-ylmethyl)piperidin-4-yl]pyrazol-4-yl]-N-methylimidazo[1,2-b]pyridazin-2-amine (CID 126607552) is 6-[3-(4-fluorophenyl)-1-methyl-5-[1-(1,3-thiazol-2-ylmethyl)piperidin-4-yl]pyrazol-4-yl]-N-methylimidazo[1,2-b]pyridazin-2-amine.

What is the SMILES notation for 6-[3-(4-fluorophenyl)-1-methyl-5-[1-(1,3-thiazol-2-ylmethyl)piperidin-4-yl]pyrazol-4-yl]-N-methylimidazo[1,2-b]pyridazin-2-amine?

The canonical SMILES for 6-[3-(4-fluorophenyl)-1-methyl-5-[1-(1,3-thiazol-2-ylmethyl)piperidin-4-yl]pyrazol-4-yl]-N-methylimidazo[1,2-b]pyridazin-2-amine is CNc1cn2nc(-c3c(-c4ccc(F)cc4)nn(C)c3C3CCN(Cc4nccs4)CC3)ccc2n1.

What is the InChIKey of 6-[3-(4-fluorophenyl)-1-methyl-5-[1-(1,3-thiazol-2-ylmethyl)piperidin-4-yl]pyrazol-4-yl]-N-methylimidazo[1,2-b]pyridazin-2-amine?

The InChIKey is VLOXMKITOSHLBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27FN8S/c1-28-21-15-35-22(30-21)8-7-20(31-35)24-25(17-3-5-19(27)6-4-17)32-33(2)26(24)18-9-12-34(13-10-18)16-23-29-11-14-36-23/h3-8,11,14-15,18,28H,9-10,12-13,16H2,1-2H3.

What are the key properties of 6-[3-(4-fluorophenyl)-1-methyl-5-[1-(1,3-thiazol-2-ylmethyl)piperidin-4-yl]pyrazol-4-yl]-N-methylimidazo[1,2-b]pyridazin-2-amine?

6-[3-(4-fluorophenyl)-1-methyl-5-[1-(1,3-thiazol-2-ylmethyl)piperidin-4-yl]pyrazol-4-yl]-N-methylimidazo[1,2-b]pyridazin-2-amine has a molecular weight of 502.62 g/mol, XLogP of 4.81, 6 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 6-[3-(4-fluorophenyl)-1-methyl-5-[1-(1,3-thiazol-2-ylmethyl)piperidin-4-yl]pyrazol-4-yl]-N-methylimidazo[1,2-b]pyridazin-2-amine is sourced from PubChem (CID 126607552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).