tert-butyl (2R)-2-[[[6-(2,8-dimethylimidazo[1,2-b]pyridazin-6-yl)-8-fluoroimidazo[1,2-a]pyridine-2-carbonyl]amino]methyl]piperidine-1-carboxylate

C27H32FN7O3 — CID 170593491

About tert-butyl (2R)-2-[[[6-(2,8-dimethylimidazo[1,2-b]pyridazin-6-yl)-8-fluoroimidazo[1,2-a]pyridine-2-carbonyl]amino]methyl]piperidine-1-carboxylate

tert-butyl (2R)-2-[[[6-(2,8-dimethylimidazo[1,2-b]pyridazin-6-yl)-8-fluoroimidazo[1,2-a]pyridine-2-carbonyl]amino]methyl]piperidine-1-carboxylate (PubChem CID 170593491) has the molecular formula C27H32FN7O3 and a molecular weight of 521.60 g/mol. Its IUPAC name is tert-butyl (2R)-2-[[[6-(2,8-dimethylimidazo[1,2-b]pyridazin-6-yl)-8-fluoroimidazo[1,2-a]pyridine-2-carbonyl]amino]methyl]piperidine-1-carboxylate.

Molecular Properties

• Compound Name: tert-butyl (2R)-2-[[[6-(2,8-dimethylimidazo[1,2-b]pyridazin-6-yl)-8-fluoroimidazo[1,2-a]pyridine-2-carbonyl]amino]methyl]piperidine-1-carboxylate
• PubChem CID: 170593491
• Molecular Formula: C27H32FN7O3
• Molecular Weight: 521.60 g/mol
• Exact Mass: 521.26
• IUPAC Name: tert-butyl (2R)-2-[[[6-(2,8-dimethylimidazo[1,2-b]pyridazin-6-yl)-8-fluoroimidazo[1,2-a]pyridine-2-carbonyl]amino]methyl]piperidine-1-carboxylate
• SMILES: Cc1cn2nc(-c3cc(F)c4nc(C(=O)NC[C@H]5CCCCN5C(=O)OC(C)(C)C)cn4c3)cc(C)c2n1
• InChI: InChI=1S/C27H32FN7O3/c1-16-10-21(32-35-13-17(2)30-23(16)35)18-11-20(28)24-31-22(15-33(24)14-18)25(36)29-12-19-8-6-7-9-34(19)26(37)38-27(3,4)5/h10-11,13-15,19H,6-9,12H2,1-5H3,(H,29,36)/t19-/m1/s1
• InChIKey: NCCMUYSHADWXFE-LJQANCHMSA-N
• XLogP: 4.32
• TPSA: 106.13 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 4
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	521.60
LogP ≤ 5	4.32
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of tert-butyl (2R)-2-[[[6-(2,8-dimethylimidazo[1,2-b]pyridazin-6-yl)-8-fluoroimidazo[1,2-a]pyridine-2-carbonyl]amino]methyl]piperidine-1-carboxylate?

The IUPAC name of tert-butyl (2R)-2-[[[6-(2,8-dimethylimidazo[1,2-b]pyridazin-6-yl)-8-fluoroimidazo[1,2-a]pyridine-2-carbonyl]amino]methyl]piperidine-1-carboxylate (CID 170593491) is tert-butyl (2R)-2-[[[6-(2,8-dimethylimidazo[1,2-b]pyridazin-6-yl)-8-fluoroimidazo[1,2-a]pyridine-2-carbonyl]amino]methyl]piperidine-1-carboxylate.

What is the SMILES notation for tert-butyl (2R)-2-[[[6-(2,8-dimethylimidazo[1,2-b]pyridazin-6-yl)-8-fluoroimidazo[1,2-a]pyridine-2-carbonyl]amino]methyl]piperidine-1-carboxylate?

The canonical SMILES for tert-butyl (2R)-2-[[[6-(2,8-dimethylimidazo[1,2-b]pyridazin-6-yl)-8-fluoroimidazo[1,2-a]pyridine-2-carbonyl]amino]methyl]piperidine-1-carboxylate is Cc1cn2nc(-c3cc(F)c4nc(C(=O)NC[C@H]5CCCCN5C(=O)OC(C)(C)C)cn4c3)cc(C)c2n1.

What is the InChIKey of tert-butyl (2R)-2-[[[6-(2,8-dimethylimidazo[1,2-b]pyridazin-6-yl)-8-fluoroimidazo[1,2-a]pyridine-2-carbonyl]amino]methyl]piperidine-1-carboxylate?

The InChIKey is NCCMUYSHADWXFE-LJQANCHMSA-N. The full InChI is InChI=1S/C27H32FN7O3/c1-16-10-21(32-35-13-17(2)30-23(16)35)18-11-20(28)24-31-22(15-33(24)14-18)25(36)29-12-19-8-6-7-9-34(19)26(37)38-27(3,4)5/h10-11,13-15,19H,6-9,12H2,1-5H3,(H,29,36)/t19-/m1/s1.

What are the key properties of tert-butyl (2R)-2-[[[6-(2,8-dimethylimidazo[1,2-b]pyridazin-6-yl)-8-fluoroimidazo[1,2-a]pyridine-2-carbonyl]amino]methyl]piperidine-1-carboxylate?

tert-butyl (2R)-2-[[[6-(2,8-dimethylimidazo[1,2-b]pyridazin-6-yl)-8-fluoroimidazo[1,2-a]pyridine-2-carbonyl]amino]methyl]piperidine-1-carboxylate has a molecular weight of 521.60 g/mol, XLogP of 4.32, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for tert-butyl (2R)-2-[[[6-(2,8-dimethylimidazo[1,2-b]pyridazin-6-yl)-8-fluoroimidazo[1,2-a]pyridine-2-carbonyl]amino]methyl]piperidine-1-carboxylate is sourced from PubChem (CID 170593491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).