4-[6-(benzylamino)imidazo[1,2-b]pyridazin-3-yl]phenol;N-benzyl-3-bromoimidazo[1,2-b]pyridazin-6-amine;N-benzyl-3-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]imidazo[1,2-b]pyridazin-6-amine;N-benzyl-3-[4-[2-[(2S)-pyrrolidin-2-yl]ethoxy]phenyl]imidazo[1,2-b]pyridazin-6-amine;tert-butyl (2S)-2-[2-[4-[6-(benzylamino)imidazo[1,2-b]pyridazin-3-yl]phenoxy]ethyl]pyrrolidine-1-carboxylate

C112H119BrN22O6Si — CID 159935079

About 4-[6-(benzylamino)imidazo[1,2-b]pyridazin-3-yl]phenol;N-benzyl-3-bromoimidazo[1,2-b]pyridazin-6-amine;N-benzyl-3-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]imidazo[1,2-b]pyridazin-6-amine;N-benzyl-3-[4-[2-[(2S)-pyrrolidin-2-yl]ethoxy]phenyl]imidazo[1,2-b]pyridazin-6-amine;tert-butyl (2S)-2-[2-[4-[6-(benzylamino)imidazo[1,2-b]pyridazin-3-yl]phenoxy]ethyl]pyrrolidine-1-carboxylate

4-[6-(benzylamino)imidazo[1,2-b]pyridazin-3-yl]phenol;N-benzyl-3-bromoimidazo[1,2-b]pyridazin-6-amine;N-benzyl-3-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]imidazo[1,2-b]pyridazin-6-amine;N-benzyl-3-[4-[2-[(2S)-pyrrolidin-2-yl]ethoxy]phenyl]imidazo[1,2-b]pyridazin-6-amine;tert-butyl (2S)-2-[2-[4-[6-(benzylamino)imidazo[1,2-b]pyridazin-3-yl]phenoxy]ethyl]pyrrolidine-1-carboxylate (PubChem CID 159935079) has the molecular formula C112H119BrN22O6Si and a molecular weight of 1977.32 g/mol. Its IUPAC name is 4-[6-(benzylamino)imidazo[1,2-b]pyridazin-3-yl]phenol;N-benzyl-3-bromoimidazo[1,2-b]pyridazin-6-amine;N-benzyl-3-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]imidazo[1,2-b]pyridazin-6-amine;N-benzyl-3-[4-[2-[(2S)-pyrrolidin-2-yl]ethoxy]phenyl]imidazo[1,2-b]pyridazin-6-amine;tert-butyl (2S)-2-[2-[4-[6-(benzylamino)imidazo[1,2-b]pyridazin-3-yl]phenoxy]ethyl]pyrrolidine-1-carboxylate.

Molecular Properties

• Compound Name: 4-[6-(benzylamino)imidazo[1,2-b]pyridazin-3-yl]phenol;N-benzyl-3-bromoimidazo[1,2-b]pyridazin-6-amine;N-benzyl-3-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]imidazo[1,2-b]pyridazin-6-amine;N-benzyl-3-[4-[2-[(2S)-pyrrolidin-2-yl]ethoxy]phenyl]imidazo[1,2-b]pyridazin-6-amine;tert-butyl (2S)-2-[2-[4-[6-(benzylamino)imidazo[1,2-b]pyridazin-3-yl]phenoxy]ethyl]pyrrolidine-1-carboxylate
• PubChem CID: 159935079
• Molecular Formula: C112H119BrN22O6Si
• Molecular Weight: 1977.32 g/mol
• Exact Mass: 1974.86
• IUPAC Name: 4-[6-(benzylamino)imidazo[1,2-b]pyridazin-3-yl]phenol;N-benzyl-3-bromoimidazo[1,2-b]pyridazin-6-amine;N-benzyl-3-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]imidazo[1,2-b]pyridazin-6-amine;N-benzyl-3-[4-[2-[(2S)-pyrrolidin-2-yl]ethoxy]phenyl]imidazo[1,2-b]pyridazin-6-amine;tert-butyl (2S)-2-[2-[4-[6-(benzylamino)imidazo[1,2-b]pyridazin-3-yl]phenoxy]ethyl]pyrrolidine-1-carboxylate
• SMILES: Brc1cnc2ccc(NCc3ccccc3)nn12.CC(C)(C)OC(=O)N1CCC[C@H]1CCOc1ccc(-c2cnc3ccc(NCc4ccccc4)nn23)cc1.CC(C)(C)[Si](C)(C)Oc1ccc(-c2cnc3ccc(NCc4ccccc4)nn23)cc1.Oc1ccc(-c2cnc3ccc(NCc4ccccc4)nn23)cc1.c1ccc(CNc2ccc3ncc(-c4ccc(OCC[C@@H]5CCCN5)cc4)n3n2)cc1
• InChI: InChI=1S/C30H35N5O3.C25H27N5O.C25H30N4OSi.C19H16N4O.C13H11BrN4/c1-30(2,3)38-29(36)34-18-7-10-24(34)17-19-37-25-13-11-23(12-14-25)26-21-32-28-16-15-27(33-35(26)28)31-20-22-8-5-4-6-9-22;1-2-5-19(6-3-1)17-27-24-12-13-25-28-18-23(30(25)29-24)20-8-10-22(11-9-20)31-16-14-21-7-4-15-26-21;1-25(2,3)31(4,5)30-21-13-11-20(12-14-21)22-18-27-24-16-15-23(28-29(22)24)26-17-19-9-7-6-8-10-19;24-16-8-6-15(7-9-16)17-13-21-19-11-10-18(22-23(17)19)20-12-14-4-2-1-3-5-14;14-11-9-16-13-7-6-12(17-18(11)13)15-8-10-4-2-1-3-5-10/h4-6,8-9,11-16,21,24H,7,10,17-20H2,1-3H3,(H,31,33);1-3,5-6,8-13,18,21,26H,4,7,14-17H2,(H,27,29);6-16,18H,17H2,1-5H3,(H,26,28);1-11,13,24H,12H2,(H,20,22);1-7,9H,8H2,(H,15,17)/t24-;21-;;;/m00.../s1
• InChIKey: OADJRSFKCLCTQI-JKMIZHNCSA-N
• XLogP: 23.92
• TPSA: 300.59 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 27
• Rotatable Bonds: 29
• Heavy Atoms: 142
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1977.32
LogP ≤ 5	23.92
H-Bond Donors ≤ 5	7
H-Bond Acceptors ≤ 10	27

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 4-[6-(benzylamino)imidazo[1,2-b]pyridazin-3-yl]phenol;N-benzyl-3-bromoimidazo[1,2-b]pyridazin-6-amine;N-benzyl-3-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]imidazo[1,2-b]pyridazin-6-amine;N-benzyl-3-[4-[2-[(2S)-pyrrolidin-2-yl]ethoxy]phenyl]imidazo[1,2-b]pyridazin-6-amine;tert-butyl (2S)-2-[2-[4-[6-(benzylamino)imidazo[1,2-b]pyridazin-3-yl]phenoxy]ethyl]pyrrolidine-1-carboxylate?

The IUPAC name of 4-[6-(benzylamino)imidazo[1,2-b]pyridazin-3-yl]phenol;N-benzyl-3-bromoimidazo[1,2-b]pyridazin-6-amine;N-benzyl-3-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]imidazo[1,2-b]pyridazin-6-amine;N-benzyl-3-[4-[2-[(2S)-pyrrolidin-2-yl]ethoxy]phenyl]imidazo[1,2-b]pyridazin-6-amine;tert-butyl (2S)-2-[2-[4-[6-(benzylamino)imidazo[1,2-b]pyridazin-3-yl]phenoxy]ethyl]pyrrolidine-1-carboxylate (CID 159935079) is 4-[6-(benzylamino)imidazo[1,2-b]pyridazin-3-yl]phenol;N-benzyl-3-bromoimidazo[1,2-b]pyridazin-6-amine;N-benzyl-3-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]imidazo[1,2-b]pyridazin-6-amine;N-benzyl-3-[4-[2-[(2S)-pyrrolidin-2-yl]ethoxy]phenyl]imidazo[1,2-b]pyridazin-6-amine;tert-butyl (2S)-2-[2-[4-[6-(benzylamino)imidazo[1,2-b]pyridazin-3-yl]phenoxy]ethyl]pyrrolidine-1-carboxylate.

What is the SMILES notation for 4-[6-(benzylamino)imidazo[1,2-b]pyridazin-3-yl]phenol;N-benzyl-3-bromoimidazo[1,2-b]pyridazin-6-amine;N-benzyl-3-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]imidazo[1,2-b]pyridazin-6-amine;N-benzyl-3-[4-[2-[(2S)-pyrrolidin-2-yl]ethoxy]phenyl]imidazo[1,2-b]pyridazin-6-amine;tert-butyl (2S)-2-[2-[4-[6-(benzylamino)imidazo[1,2-b]pyridazin-3-yl]phenoxy]ethyl]pyrrolidine-1-carboxylate?

The canonical SMILES for 4-[6-(benzylamino)imidazo[1,2-b]pyridazin-3-yl]phenol;N-benzyl-3-bromoimidazo[1,2-b]pyridazin-6-amine;N-benzyl-3-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]imidazo[1,2-b]pyridazin-6-amine;N-benzyl-3-[4-[2-[(2S)-pyrrolidin-2-yl]ethoxy]phenyl]imidazo[1,2-b]pyridazin-6-amine;tert-butyl (2S)-2-[2-[4-[6-(benzylamino)imidazo[1,2-b]pyridazin-3-yl]phenoxy]ethyl]pyrrolidine-1-carboxylate is Brc1cnc2ccc(NCc3ccccc3)nn12.CC(C)(C)OC(=O)N1CCC[C@H]1CCOc1ccc(-c2cnc3ccc(NCc4ccccc4)nn23)cc1.CC(C)(C)[Si](C)(C)Oc1ccc(-c2cnc3ccc(NCc4ccccc4)nn23)cc1.Oc1ccc(-c2cnc3ccc(NCc4ccccc4)nn23)cc1.c1ccc(CNc2ccc3ncc(-c4ccc(OCC[C@@H]5CCCN5)cc4)n3n2)cc1.

What is the InChIKey of 4-[6-(benzylamino)imidazo[1,2-b]pyridazin-3-yl]phenol;N-benzyl-3-bromoimidazo[1,2-b]pyridazin-6-amine;N-benzyl-3-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]imidazo[1,2-b]pyridazin-6-amine;N-benzyl-3-[4-[2-[(2S)-pyrrolidin-2-yl]ethoxy]phenyl]imidazo[1,2-b]pyridazin-6-amine;tert-butyl (2S)-2-[2-[4-[6-(benzylamino)imidazo[1,2-b]pyridazin-3-yl]phenoxy]ethyl]pyrrolidine-1-carboxylate?

The InChIKey is OADJRSFKCLCTQI-JKMIZHNCSA-N. The full InChI is InChI=1S/C30H35N5O3.C25H27N5O.C25H30N4OSi.C19H16N4O.C13H11BrN4/c1-30(2,3)38-29(36)34-18-7-10-24(34)17-19-37-25-13-11-23(12-14-25)26-21-32-28-16-15-27(33-35(26)28)31-20-22-8-5-4-6-9-22;1-2-5-19(6-3-1)17-27-24-12-13-25-28-18-23(30(25)29-24)20-8-10-22(11-9-20)31-16-14-21-7-4-15-26-21;1-25(2,3)31(4,5)30-21-13-11-20(12-14-21)22-18-27-24-16-15-23(28-29(22)24)26-17-19-9-7-6-8-10-19;24-16-8-6-15(7-9-16)17-13-21-19-11-10-18(22-23(17)19)20-12-14-4-2-1-3-5-14;14-11-9-16-13-7-6-12(17-18(11)13)15-8-10-4-2-1-3-5-10/h4-6,8-9,11-16,21,24H,7,10,17-20H2,1-3H3,(H,31,33);1-3,5-6,8-13,18,21,26H,4,7,14-17H2,(H,27,29);6-16,18H,17H2,1-5H3,(H,26,28);1-11,13,24H,12H2,(H,20,22);1-7,9H,8H2,(H,15,17)/t24-;21-;;;/m00.../s1.

What are the key properties of 4-[6-(benzylamino)imidazo[1,2-b]pyridazin-3-yl]phenol;N-benzyl-3-bromoimidazo[1,2-b]pyridazin-6-amine;N-benzyl-3-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]imidazo[1,2-b]pyridazin-6-amine;N-benzyl-3-[4-[2-[(2S)-pyrrolidin-2-yl]ethoxy]phenyl]imidazo[1,2-b]pyridazin-6-amine;tert-butyl (2S)-2-[2-[4-[6-(benzylamino)imidazo[1,2-b]pyridazin-3-yl]phenoxy]ethyl]pyrrolidine-1-carboxylate?

4-[6-(benzylamino)imidazo[1,2-b]pyridazin-3-yl]phenol;N-benzyl-3-bromoimidazo[1,2-b]pyridazin-6-amine;N-benzyl-3-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]imidazo[1,2-b]pyridazin-6-amine;N-benzyl-3-[4-[2-[(2S)-pyrrolidin-2-yl]ethoxy]phenyl]imidazo[1,2-b]pyridazin-6-amine;tert-butyl (2S)-2-[2-[4-[6-(benzylamino)imidazo[1,2-b]pyridazin-3-yl]phenoxy]ethyl]pyrrolidine-1-carboxylate has a molecular weight of 1977.32 g/mol, XLogP of 23.92, 29 rotatable bonds, 7 hydrogen bond donors, and 27 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[6-(benzylamino)imidazo[1,2-b]pyridazin-3-yl]phenol;N-benzyl-3-bromoimidazo[1,2-b]pyridazin-6-amine;N-benzyl-3-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]imidazo[1,2-b]pyridazin-6-amine;N-benzyl-3-[4-[2-[(2S)-pyrrolidin-2-yl]ethoxy]phenyl]imidazo[1,2-b]pyridazin-6-amine;tert-butyl (2S)-2-[2-[4-[6-(benzylamino)imidazo[1,2-b]pyridazin-3-yl]phenoxy]ethyl]pyrrolidine-1-carboxylate is sourced from PubChem (CID 159935079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).