tert-butyl (2S)-2-(2-bromoacetyl)piperidine-1-carboxylate;tert-butyl (2S)-2-(6-chloro-7-methylimidazo[1,2-b]pyridazin-2-yl)piperidine-1-carboxylate;tert-butyl (2S)-2-(6-chloro-8-methylimidazo[1,2-b]pyridazin-2-yl)piperidine-1-carboxylate;6-chloro-4-methylpyridazin-3-amine;6-chloro-5-methylpyridazin-3-amine;methane

C57H82BrCl4N15O7 — CID 157150808

About tert-butyl (2S)-2-(2-bromoacetyl)piperidine-1-carboxylate;tert-butyl (2S)-2-(6-chloro-7-methylimidazo[1,2-b]pyridazin-2-yl)piperidine-1-carboxylate;tert-butyl (2S)-2-(6-chloro-8-methylimidazo[1,2-b]pyridazin-2-yl)piperidine-1-carboxylate;6-chloro-4-methylpyridazin-3-amine;6-chloro-5-methylpyridazin-3-amine;methane

tert-butyl (2S)-2-(2-bromoacetyl)piperidine-1-carboxylate;tert-butyl (2S)-2-(6-chloro-7-methylimidazo[1,2-b]pyridazin-2-yl)piperidine-1-carboxylate;tert-butyl (2S)-2-(6-chloro-8-methylimidazo[1,2-b]pyridazin-2-yl)piperidine-1-carboxylate;6-chloro-4-methylpyridazin-3-amine;6-chloro-5-methylpyridazin-3-amine;methane (PubChem CID 157150808) has the molecular formula C57H82BrCl4N15O7 and a molecular weight of 1311.10 g/mol. Its IUPAC name is tert-butyl (2S)-2-(2-bromoacetyl)piperidine-1-carboxylate;tert-butyl (2S)-2-(6-chloro-7-methylimidazo[1,2-b]pyridazin-2-yl)piperidine-1-carboxylate;tert-butyl (2S)-2-(6-chloro-8-methylimidazo[1,2-b]pyridazin-2-yl)piperidine-1-carboxylate;6-chloro-4-methylpyridazin-3-amine;6-chloro-5-methylpyridazin-3-amine;methane.

Molecular Properties

• Compound Name: tert-butyl (2S)-2-(2-bromoacetyl)piperidine-1-carboxylate;tert-butyl (2S)-2-(6-chloro-7-methylimidazo[1,2-b]pyridazin-2-yl)piperidine-1-carboxylate;tert-butyl (2S)-2-(6-chloro-8-methylimidazo[1,2-b]pyridazin-2-yl)piperidine-1-carboxylate;6-chloro-4-methylpyridazin-3-amine;6-chloro-5-methylpyridazin-3-amine;methane
• PubChem CID: 157150808
• Molecular Formula: C57H82BrCl4N15O7
• Molecular Weight: 1311.10 g/mol
• Exact Mass: 1307.45
• IUPAC Name: tert-butyl (2S)-2-(2-bromoacetyl)piperidine-1-carboxylate;tert-butyl (2S)-2-(6-chloro-7-methylimidazo[1,2-b]pyridazin-2-yl)piperidine-1-carboxylate;tert-butyl (2S)-2-(6-chloro-8-methylimidazo[1,2-b]pyridazin-2-yl)piperidine-1-carboxylate;6-chloro-4-methylpyridazin-3-amine;6-chloro-5-methylpyridazin-3-amine;methane
• SMILES: C.CC(C)(C)OC(=O)N1CCCC[C@H]1C(=O)CBr.Cc1cc(Cl)nn2cc([C@@H]3CCCCN3C(=O)OC(C)(C)C)nc12.Cc1cc(Cl)nnc1N.Cc1cc(N)nnc1Cl.Cc1cc2nc([C@@H]3CCCCN3C(=O)OC(C)(C)C)cn2nc1Cl
• InChI: InChI=1S/2C17H23ClN4O2.C12H20BrNO3.2C5H6ClN3.CH4/c1-11-9-14-19-12(10-22(14)20-15(11)18)13-7-5-6-8-21(13)16(23)24-17(2,3)4;1-11-9-14(18)20-22-10-12(19-15(11)22)13-7-5-6-8-21(13)16(23)24-17(2,3)4;1-12(2,3)17-11(16)14-7-5-4-6-9(14)10(15)8-13;1-3-2-4(7)8-9-5(3)6;1-3-2-4(6)8-9-5(3)7;/h2*9-10,13H,5-8H2,1-4H3;9H,4-8H2,1-3H3;2H,1H3,(H2,7,8);2H,1H3,(H2,7,9);1H4/t2*13-;9-;;;/m000.../s1
• InChIKey: ALFUDFJRKVQJDJ-VPLMZWFJSA-N
• XLogP: 13.72
• TPSA: 269.67 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 19
• Rotatable Bonds: 4
• Heavy Atoms: 84
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1311.10
LogP ≤ 5	13.72
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	19

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of tert-butyl (2S)-2-(2-bromoacetyl)piperidine-1-carboxylate;tert-butyl (2S)-2-(6-chloro-7-methylimidazo[1,2-b]pyridazin-2-yl)piperidine-1-carboxylate;tert-butyl (2S)-2-(6-chloro-8-methylimidazo[1,2-b]pyridazin-2-yl)piperidine-1-carboxylate;6-chloro-4-methylpyridazin-3-amine;6-chloro-5-methylpyridazin-3-amine;methane?

The IUPAC name of tert-butyl (2S)-2-(2-bromoacetyl)piperidine-1-carboxylate;tert-butyl (2S)-2-(6-chloro-7-methylimidazo[1,2-b]pyridazin-2-yl)piperidine-1-carboxylate;tert-butyl (2S)-2-(6-chloro-8-methylimidazo[1,2-b]pyridazin-2-yl)piperidine-1-carboxylate;6-chloro-4-methylpyridazin-3-amine;6-chloro-5-methylpyridazin-3-amine;methane (CID 157150808) is tert-butyl (2S)-2-(2-bromoacetyl)piperidine-1-carboxylate;tert-butyl (2S)-2-(6-chloro-7-methylimidazo[1,2-b]pyridazin-2-yl)piperidine-1-carboxylate;tert-butyl (2S)-2-(6-chloro-8-methylimidazo[1,2-b]pyridazin-2-yl)piperidine-1-carboxylate;6-chloro-4-methylpyridazin-3-amine;6-chloro-5-methylpyridazin-3-amine;methane.

What is the SMILES notation for tert-butyl (2S)-2-(2-bromoacetyl)piperidine-1-carboxylate;tert-butyl (2S)-2-(6-chloro-7-methylimidazo[1,2-b]pyridazin-2-yl)piperidine-1-carboxylate;tert-butyl (2S)-2-(6-chloro-8-methylimidazo[1,2-b]pyridazin-2-yl)piperidine-1-carboxylate;6-chloro-4-methylpyridazin-3-amine;6-chloro-5-methylpyridazin-3-amine;methane?

The canonical SMILES for tert-butyl (2S)-2-(2-bromoacetyl)piperidine-1-carboxylate;tert-butyl (2S)-2-(6-chloro-7-methylimidazo[1,2-b]pyridazin-2-yl)piperidine-1-carboxylate;tert-butyl (2S)-2-(6-chloro-8-methylimidazo[1,2-b]pyridazin-2-yl)piperidine-1-carboxylate;6-chloro-4-methylpyridazin-3-amine;6-chloro-5-methylpyridazin-3-amine;methane is C.CC(C)(C)OC(=O)N1CCCC[C@H]1C(=O)CBr.Cc1cc(Cl)nn2cc([C@@H]3CCCCN3C(=O)OC(C)(C)C)nc12.Cc1cc(Cl)nnc1N.Cc1cc(N)nnc1Cl.Cc1cc2nc([C@@H]3CCCCN3C(=O)OC(C)(C)C)cn2nc1Cl.

What is the InChIKey of tert-butyl (2S)-2-(2-bromoacetyl)piperidine-1-carboxylate;tert-butyl (2S)-2-(6-chloro-7-methylimidazo[1,2-b]pyridazin-2-yl)piperidine-1-carboxylate;tert-butyl (2S)-2-(6-chloro-8-methylimidazo[1,2-b]pyridazin-2-yl)piperidine-1-carboxylate;6-chloro-4-methylpyridazin-3-amine;6-chloro-5-methylpyridazin-3-amine;methane?

The InChIKey is ALFUDFJRKVQJDJ-VPLMZWFJSA-N. The full InChI is InChI=1S/2C17H23ClN4O2.C12H20BrNO3.2C5H6ClN3.CH4/c1-11-9-14-19-12(10-22(14)20-15(11)18)13-7-5-6-8-21(13)16(23)24-17(2,3)4;1-11-9-14(18)20-22-10-12(19-15(11)22)13-7-5-6-8-21(13)16(23)24-17(2,3)4;1-12(2,3)17-11(16)14-7-5-4-6-9(14)10(15)8-13;1-3-2-4(7)8-9-5(3)6;1-3-2-4(6)8-9-5(3)7;/h2*9-10,13H,5-8H2,1-4H3;9H,4-8H2,1-3H3;2H,1H3,(H2,7,8);2H,1H3,(H2,7,9);1H4/t2*13-;9-;;;/m000.../s1.

What are the key properties of tert-butyl (2S)-2-(2-bromoacetyl)piperidine-1-carboxylate;tert-butyl (2S)-2-(6-chloro-7-methylimidazo[1,2-b]pyridazin-2-yl)piperidine-1-carboxylate;tert-butyl (2S)-2-(6-chloro-8-methylimidazo[1,2-b]pyridazin-2-yl)piperidine-1-carboxylate;6-chloro-4-methylpyridazin-3-amine;6-chloro-5-methylpyridazin-3-amine;methane?

tert-butyl (2S)-2-(2-bromoacetyl)piperidine-1-carboxylate;tert-butyl (2S)-2-(6-chloro-7-methylimidazo[1,2-b]pyridazin-2-yl)piperidine-1-carboxylate;tert-butyl (2S)-2-(6-chloro-8-methylimidazo[1,2-b]pyridazin-2-yl)piperidine-1-carboxylate;6-chloro-4-methylpyridazin-3-amine;6-chloro-5-methylpyridazin-3-amine;methane has a molecular weight of 1311.10 g/mol, XLogP of 13.72, 4 rotatable bonds, 2 hydrogen bond donors, and 19 hydrogen bond acceptors.

Where does this data come from?

All data for tert-butyl (2S)-2-(2-bromoacetyl)piperidine-1-carboxylate;tert-butyl (2S)-2-(6-chloro-7-methylimidazo[1,2-b]pyridazin-2-yl)piperidine-1-carboxylate;tert-butyl (2S)-2-(6-chloro-8-methylimidazo[1,2-b]pyridazin-2-yl)piperidine-1-carboxylate;6-chloro-4-methylpyridazin-3-amine;6-chloro-5-methylpyridazin-3-amine;methane is sourced from PubChem (CID 157150808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).