tert-butyl N-[(2S)-1-hydroxybutan-2-yl]carbamate;tert-butyl N-[(2S)-1-[3-[3-(trifluoromethoxy)phenyl]imidazo[1,2-b]pyridazin-6-yl]oxybutan-2-yl]carbamate;6-chloro-3-[3-(trifluoromethoxy)phenyl]imidazo[1,2-b]pyridazine;2-(2-dicyclohexylphosphanylphenyl)-N,N-dimethylaniline;(2S)-2-[[3-[3-(trifluoromethoxy)phenyl]imidazo[1,2-b]pyridazin-6-yl]amino]butan-1-ol

C87H104ClF9N13O10P — CID 158246513

About tert-butyl N-[(2S)-1-hydroxybutan-2-yl]carbamate;tert-butyl N-[(2S)-1-[3-[3-(trifluoromethoxy)phenyl]imidazo[1,2-b]pyridazin-6-yl]oxybutan-2-yl]carbamate;6-chloro-3-[3-(trifluoromethoxy)phenyl]imidazo[1,2-b]pyridazine;2-(2-dicyclohexylphosphanylphenyl)-N,N-dimethylaniline;(2S)-2-[[3-[3-(trifluoromethoxy)phenyl]imidazo[1,2-b]pyridazin-6-yl]amino]butan-1-ol

tert-butyl N-[(2S)-1-hydroxybutan-2-yl]carbamate;tert-butyl N-[(2S)-1-[3-[3-(trifluoromethoxy)phenyl]imidazo[1,2-b]pyridazin-6-yl]oxybutan-2-yl]carbamate;6-chloro-3-[3-(trifluoromethoxy)phenyl]imidazo[1,2-b]pyridazine;2-(2-dicyclohexylphosphanylphenyl)-N,N-dimethylaniline;(2S)-2-[[3-[3-(trifluoromethoxy)phenyl]imidazo[1,2-b]pyridazin-6-yl]amino]butan-1-ol (PubChem CID 158246513) has the molecular formula C87H104ClF9N13O10P and a molecular weight of 1729.28 g/mol. Its IUPAC name is tert-butyl N-[(2S)-1-hydroxybutan-2-yl]carbamate;tert-butyl N-[(2S)-1-[3-[3-(trifluoromethoxy)phenyl]imidazo[1,2-b]pyridazin-6-yl]oxybutan-2-yl]carbamate;6-chloro-3-[3-(trifluoromethoxy)phenyl]imidazo[1,2-b]pyridazine;2-(2-dicyclohexylphosphanylphenyl)-N,N-dimethylaniline;(2S)-2-[[3-[3-(trifluoromethoxy)phenyl]imidazo[1,2-b]pyridazin-6-yl]amino]butan-1-ol.

Molecular Properties

• Compound Name: tert-butyl N-[(2S)-1-hydroxybutan-2-yl]carbamate;tert-butyl N-[(2S)-1-[3-[3-(trifluoromethoxy)phenyl]imidazo[1,2-b]pyridazin-6-yl]oxybutan-2-yl]carbamate;6-chloro-3-[3-(trifluoromethoxy)phenyl]imidazo[1,2-b]pyridazine;2-(2-dicyclohexylphosphanylphenyl)-N,N-dimethylaniline;(2S)-2-[[3-[3-(trifluoromethoxy)phenyl]imidazo[1,2-b]pyridazin-6-yl]amino]butan-1-ol
• PubChem CID: 158246513
• Molecular Formula: C87H104ClF9N13O10P
• Molecular Weight: 1729.28 g/mol
• Exact Mass: 1727.73
• IUPAC Name: tert-butyl N-[(2S)-1-hydroxybutan-2-yl]carbamate;tert-butyl N-[(2S)-1-[3-[3-(trifluoromethoxy)phenyl]imidazo[1,2-b]pyridazin-6-yl]oxybutan-2-yl]carbamate;6-chloro-3-[3-(trifluoromethoxy)phenyl]imidazo[1,2-b]pyridazine;2-(2-dicyclohexylphosphanylphenyl)-N,N-dimethylaniline;(2S)-2-[[3-[3-(trifluoromethoxy)phenyl]imidazo[1,2-b]pyridazin-6-yl]amino]butan-1-ol
• SMILES: CC[C@@H](CO)NC(=O)OC(C)(C)C.CC[C@@H](CO)Nc1ccc2ncc(-c3cccc(OC(F)(F)F)c3)n2n1.CC[C@@H](COc1ccc2ncc(-c3cccc(OC(F)(F)F)c3)n2n1)NC(=O)OC(C)(C)C.CN(C)c1ccccc1-c1ccccc1P(C1CCCCC1)C1CCCCC1.FC(F)(F)Oc1cccc(-c2cnc3ccc(Cl)nn23)c1
• InChI: InChI=1S/C26H36NP.C22H25F3N4O4.C17H17F3N4O2.C13H7ClF3N3O.C9H19NO3/c1-27(2)25-19-11-9-17-23(25)24-18-10-12-20-26(24)28(21-13-5-3-6-14-21)22-15-7-4-8-16-22;1-5-15(27-20(30)33-21(2,3)4)13-31-19-10-9-18-26-12-17(29(18)28-19)14-7-6-8-16(11-14)32-22(23,24)25;1-2-12(10-25)22-15-6-7-16-21-9-14(24(16)23-15)11-4-3-5-13(8-11)26-17(18,19)20;14-11-4-5-12-18-7-10(20(12)19-11)8-2-1-3-9(6-8)21-13(15,16)17;1-5-7(6-11)10-8(12)13-9(2,3)4/h9-12,17-22H,3-8,13-16H2,1-2H3;6-12,15H,5,13H2,1-4H3,(H,27,30);3-9,12,25H,2,10H2,1H3,(H,22,23);1-7H;7,11H,5-6H2,1-4H3,(H,10,12)/t;15-;12-;;7-/m.00.0/s1
• InChIKey: GGEIKIZJKHUEGR-QMKOIIHNSA-N
• XLogP: 20.88
• TPSA: 259.88 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 21
• Rotatable Bonds: 23
• Heavy Atoms: 121
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1729.28
LogP ≤ 5	20.88
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	21

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'phosphor', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(2S)-1-hydroxybutan-2-yl]carbamate;tert-butyl N-[(2S)-1-[3-[3-(trifluoromethoxy)phenyl]imidazo[1,2-b]pyridazin-6-yl]oxybutan-2-yl]carbamate;6-chloro-3-[3-(trifluoromethoxy)phenyl]imidazo[1,2-b]pyridazine;2-(2-dicyclohexylphosphanylphenyl)-N,N-dimethylaniline;(2S)-2-[[3-[3-(trifluoromethoxy)phenyl]imidazo[1,2-b]pyridazin-6-yl]amino]butan-1-ol?

The IUPAC name of tert-butyl N-[(2S)-1-hydroxybutan-2-yl]carbamate;tert-butyl N-[(2S)-1-[3-[3-(trifluoromethoxy)phenyl]imidazo[1,2-b]pyridazin-6-yl]oxybutan-2-yl]carbamate;6-chloro-3-[3-(trifluoromethoxy)phenyl]imidazo[1,2-b]pyridazine;2-(2-dicyclohexylphosphanylphenyl)-N,N-dimethylaniline;(2S)-2-[[3-[3-(trifluoromethoxy)phenyl]imidazo[1,2-b]pyridazin-6-yl]amino]butan-1-ol (CID 158246513) is tert-butyl N-[(2S)-1-hydroxybutan-2-yl]carbamate;tert-butyl N-[(2S)-1-[3-[3-(trifluoromethoxy)phenyl]imidazo[1,2-b]pyridazin-6-yl]oxybutan-2-yl]carbamate;6-chloro-3-[3-(trifluoromethoxy)phenyl]imidazo[1,2-b]pyridazine;2-(2-dicyclohexylphosphanylphenyl)-N,N-dimethylaniline;(2S)-2-[[3-[3-(trifluoromethoxy)phenyl]imidazo[1,2-b]pyridazin-6-yl]amino]butan-1-ol.

What is the SMILES notation for tert-butyl N-[(2S)-1-hydroxybutan-2-yl]carbamate;tert-butyl N-[(2S)-1-[3-[3-(trifluoromethoxy)phenyl]imidazo[1,2-b]pyridazin-6-yl]oxybutan-2-yl]carbamate;6-chloro-3-[3-(trifluoromethoxy)phenyl]imidazo[1,2-b]pyridazine;2-(2-dicyclohexylphosphanylphenyl)-N,N-dimethylaniline;(2S)-2-[[3-[3-(trifluoromethoxy)phenyl]imidazo[1,2-b]pyridazin-6-yl]amino]butan-1-ol?

The canonical SMILES for tert-butyl N-[(2S)-1-hydroxybutan-2-yl]carbamate;tert-butyl N-[(2S)-1-[3-[3-(trifluoromethoxy)phenyl]imidazo[1,2-b]pyridazin-6-yl]oxybutan-2-yl]carbamate;6-chloro-3-[3-(trifluoromethoxy)phenyl]imidazo[1,2-b]pyridazine;2-(2-dicyclohexylphosphanylphenyl)-N,N-dimethylaniline;(2S)-2-[[3-[3-(trifluoromethoxy)phenyl]imidazo[1,2-b]pyridazin-6-yl]amino]butan-1-ol is CC[C@@H](CO)NC(=O)OC(C)(C)C.CC[C@@H](CO)Nc1ccc2ncc(-c3cccc(OC(F)(F)F)c3)n2n1.CC[C@@H](COc1ccc2ncc(-c3cccc(OC(F)(F)F)c3)n2n1)NC(=O)OC(C)(C)C.CN(C)c1ccccc1-c1ccccc1P(C1CCCCC1)C1CCCCC1.FC(F)(F)Oc1cccc(-c2cnc3ccc(Cl)nn23)c1.

What is the InChIKey of tert-butyl N-[(2S)-1-hydroxybutan-2-yl]carbamate;tert-butyl N-[(2S)-1-[3-[3-(trifluoromethoxy)phenyl]imidazo[1,2-b]pyridazin-6-yl]oxybutan-2-yl]carbamate;6-chloro-3-[3-(trifluoromethoxy)phenyl]imidazo[1,2-b]pyridazine;2-(2-dicyclohexylphosphanylphenyl)-N,N-dimethylaniline;(2S)-2-[[3-[3-(trifluoromethoxy)phenyl]imidazo[1,2-b]pyridazin-6-yl]amino]butan-1-ol?

The InChIKey is GGEIKIZJKHUEGR-QMKOIIHNSA-N. The full InChI is InChI=1S/C26H36NP.C22H25F3N4O4.C17H17F3N4O2.C13H7ClF3N3O.C9H19NO3/c1-27(2)25-19-11-9-17-23(25)24-18-10-12-20-26(24)28(21-13-5-3-6-14-21)22-15-7-4-8-16-22;1-5-15(27-20(30)33-21(2,3)4)13-31-19-10-9-18-26-12-17(29(18)28-19)14-7-6-8-16(11-14)32-22(23,24)25;1-2-12(10-25)22-15-6-7-16-21-9-14(24(16)23-15)11-4-3-5-13(8-11)26-17(18,19)20;14-11-4-5-12-18-7-10(20(12)19-11)8-2-1-3-9(6-8)21-13(15,16)17;1-5-7(6-11)10-8(12)13-9(2,3)4/h9-12,17-22H,3-8,13-16H2,1-2H3;6-12,15H,5,13H2,1-4H3,(H,27,30);3-9,12,25H,2,10H2,1H3,(H,22,23);1-7H;7,11H,5-6H2,1-4H3,(H,10,12)/t;15-;12-;;7-/m.00.0/s1.

What are the key properties of tert-butyl N-[(2S)-1-hydroxybutan-2-yl]carbamate;tert-butyl N-[(2S)-1-[3-[3-(trifluoromethoxy)phenyl]imidazo[1,2-b]pyridazin-6-yl]oxybutan-2-yl]carbamate;6-chloro-3-[3-(trifluoromethoxy)phenyl]imidazo[1,2-b]pyridazine;2-(2-dicyclohexylphosphanylphenyl)-N,N-dimethylaniline;(2S)-2-[[3-[3-(trifluoromethoxy)phenyl]imidazo[1,2-b]pyridazin-6-yl]amino]butan-1-ol?

tert-butyl N-[(2S)-1-hydroxybutan-2-yl]carbamate;tert-butyl N-[(2S)-1-[3-[3-(trifluoromethoxy)phenyl]imidazo[1,2-b]pyridazin-6-yl]oxybutan-2-yl]carbamate;6-chloro-3-[3-(trifluoromethoxy)phenyl]imidazo[1,2-b]pyridazine;2-(2-dicyclohexylphosphanylphenyl)-N,N-dimethylaniline;(2S)-2-[[3-[3-(trifluoromethoxy)phenyl]imidazo[1,2-b]pyridazin-6-yl]amino]butan-1-ol has a molecular weight of 1729.28 g/mol, XLogP of 20.88, 23 rotatable bonds, 5 hydrogen bond donors, and 21 hydrogen bond acceptors.

Where does this data come from?

All data for tert-butyl N-[(2S)-1-hydroxybutan-2-yl]carbamate;tert-butyl N-[(2S)-1-[3-[3-(trifluoromethoxy)phenyl]imidazo[1,2-b]pyridazin-6-yl]oxybutan-2-yl]carbamate;6-chloro-3-[3-(trifluoromethoxy)phenyl]imidazo[1,2-b]pyridazine;2-(2-dicyclohexylphosphanylphenyl)-N,N-dimethylaniline;(2S)-2-[[3-[3-(trifluoromethoxy)phenyl]imidazo[1,2-b]pyridazin-6-yl]amino]butan-1-ol is sourced from PubChem (CID 158246513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).