tert-butyl 4-[5-[(2,8-dimethylimidazo[1,2-b]pyridazin-6-yl)carbamoyl]-4-fluorothiophen-2-yl]-2-methylpiperidine-1-carboxylate

C24H30FN5O3S — CID 168725246

About tert-butyl 4-[5-[(2,8-dimethylimidazo[1,2-b]pyridazin-6-yl)carbamoyl]-4-fluorothiophen-2-yl]-2-methylpiperidine-1-carboxylate

tert-butyl 4-[5-[(2,8-dimethylimidazo[1,2-b]pyridazin-6-yl)carbamoyl]-4-fluorothiophen-2-yl]-2-methylpiperidine-1-carboxylate (PubChem CID 168725246) has the molecular formula C24H30FN5O3S and a molecular weight of 487.60 g/mol. Its IUPAC name is tert-butyl 4-[5-[(2,8-dimethylimidazo[1,2-b]pyridazin-6-yl)carbamoyl]-4-fluorothiophen-2-yl]-2-methylpiperidine-1-carboxylate.

Molecular Properties

• Compound Name: tert-butyl 4-[5-[(2,8-dimethylimidazo[1,2-b]pyridazin-6-yl)carbamoyl]-4-fluorothiophen-2-yl]-2-methylpiperidine-1-carboxylate
• PubChem CID: 168725246
• Molecular Formula: C24H30FN5O3S
• Molecular Weight: 487.60 g/mol
• Exact Mass: 487.21
• IUPAC Name: tert-butyl 4-[5-[(2,8-dimethylimidazo[1,2-b]pyridazin-6-yl)carbamoyl]-4-fluorothiophen-2-yl]-2-methylpiperidine-1-carboxylate
• SMILES: Cc1cn2nc(NC(=O)c3sc(C4CCN(C(=O)OC(C)(C)C)C(C)C4)cc3F)cc(C)c2n1
• InChI: InChI=1S/C24H30FN5O3S/c1-13-9-19(28-30-12-14(2)26-21(13)30)27-22(31)20-17(25)11-18(34-20)16-7-8-29(15(3)10-16)23(32)33-24(4,5)6/h9,11-12,15-16H,7-8,10H2,1-6H3,(H,27,28,31)
• InChIKey: WKRWKNYQBSIJHY-UHFFFAOYSA-N
• XLogP: 5.30
• TPSA: 88.83 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 3
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	487.60
LogP ≤ 5	5.30
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-[5-[(2,8-dimethylimidazo[1,2-b]pyridazin-6-yl)carbamoyl]-4-fluorothiophen-2-yl]-2-methylpiperidine-1-carboxylate?

The IUPAC name of tert-butyl 4-[5-[(2,8-dimethylimidazo[1,2-b]pyridazin-6-yl)carbamoyl]-4-fluorothiophen-2-yl]-2-methylpiperidine-1-carboxylate (CID 168725246) is tert-butyl 4-[5-[(2,8-dimethylimidazo[1,2-b]pyridazin-6-yl)carbamoyl]-4-fluorothiophen-2-yl]-2-methylpiperidine-1-carboxylate.

What is the SMILES notation for tert-butyl 4-[5-[(2,8-dimethylimidazo[1,2-b]pyridazin-6-yl)carbamoyl]-4-fluorothiophen-2-yl]-2-methylpiperidine-1-carboxylate?

The canonical SMILES for tert-butyl 4-[5-[(2,8-dimethylimidazo[1,2-b]pyridazin-6-yl)carbamoyl]-4-fluorothiophen-2-yl]-2-methylpiperidine-1-carboxylate is Cc1cn2nc(NC(=O)c3sc(C4CCN(C(=O)OC(C)(C)C)C(C)C4)cc3F)cc(C)c2n1.

What is the InChIKey of tert-butyl 4-[5-[(2,8-dimethylimidazo[1,2-b]pyridazin-6-yl)carbamoyl]-4-fluorothiophen-2-yl]-2-methylpiperidine-1-carboxylate?

The InChIKey is WKRWKNYQBSIJHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30FN5O3S/c1-13-9-19(28-30-12-14(2)26-21(13)30)27-22(31)20-17(25)11-18(34-20)16-7-8-29(15(3)10-16)23(32)33-24(4,5)6/h9,11-12,15-16H,7-8,10H2,1-6H3,(H,27,28,31).

What are the key properties of tert-butyl 4-[5-[(2,8-dimethylimidazo[1,2-b]pyridazin-6-yl)carbamoyl]-4-fluorothiophen-2-yl]-2-methylpiperidine-1-carboxylate?

tert-butyl 4-[5-[(2,8-dimethylimidazo[1,2-b]pyridazin-6-yl)carbamoyl]-4-fluorothiophen-2-yl]-2-methylpiperidine-1-carboxylate has a molecular weight of 487.60 g/mol, XLogP of 5.30, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for tert-butyl 4-[5-[(2,8-dimethylimidazo[1,2-b]pyridazin-6-yl)carbamoyl]-4-fluorothiophen-2-yl]-2-methylpiperidine-1-carboxylate is sourced from PubChem (CID 168725246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).