3-bromo-6-pyridin-4-ylimidazo[1,2-b]pyridazine;3-(6-chloro-3-pyridinyl)-6-pyridin-4-ylimidazo[1,2-b]pyridazine;2-chloro-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine;3,3-difluoropiperidine;3-[6-(3,3-difluoropiperidin-1-yl)-3-pyridinyl]-6-pyridin-4-ylimidazo[1,2-b]pyridazine

C64H59BBrCl2F4N17O2 — CID 160775485

IUPAC3-bromo-6-pyridin-4-ylimidazo[1,2-b]pyridazine;3-(6-chloro-3-pyridinyl)-6-pyridin-4-ylimidazo[1,2-b]pyridazine;2-chloro-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine;3,3-difluoropiperidine;3-[6-(3,3-difluoropiperidin-1-yl)-3-pyridinyl]-6-pyridin-4-ylimidazo[1,2-b]pyridazine
SMILESBrc1cnc2ccc(-c3ccncc3)nn12.CC1(C)OB(c2ccc(Cl)nc2)OC1(C)C.Clc1ccc(-c2cnc3ccc(-c4ccncc4)nn23)cn1.FC1(F)CCCN(c2ccc(-c3cnc4ccc(-c5ccncc5)nn34)cn2)C1.FC1(F)CCCNC1
InChIInChI=1S/C21H18F2N6.C16H10ClN5.C11H15BClNO2.C11H7BrN4.C5H9F2N/c22-21(23)8-1-11-28(14-21)19-4-2-16(12-25-19)18-13-26-20-5-3-17(27-29(18)20)15-6-9-24-10-7-15;17-15-3-1-12(9-19-15)14-10-20-16-4-2-13(21-22(14)16)11-5-7-18-8-6-11;1-10(2)11(3,4)16-12(15-10)8-5-6-9(13)14-7-8;12-10-7-14-11-2-1-9(15-16(10)11)8-3-5-13-6-4-8;6-5(7)2-1-3-8-4-5/h2-7,9-10,12-13H,1,8,11,14H2;1-10H;5-7H,1-4H3;1-7H;8H,1-4H2
InChIKeyRZWRZMLEBBSIHY-UHFFFAOYSA-N
MW1335.91 g/mol
LogP13.19
Rot. Bonds7

About 3-bromo-6-pyridin-4-ylimidazo[1,2-b]pyridazine;3-(6-chloro-3-pyridinyl)-6-pyridin-4-ylimidazo[1,2-b]pyridazine;2-chloro-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine;3,3-difluoropiperidine;3-[6-(3,3-difluoropiperidin-1-yl)-3-pyridinyl]-6-pyridin-4-ylimidazo[1,2-b]pyridazine

3-bromo-6-pyridin-4-ylimidazo[1,2-b]pyridazine;3-(6-chloro-3-pyridinyl)-6-pyridin-4-ylimidazo[1,2-b]pyridazine;2-chloro-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine;3,3-difluoropiperidine;3-[6-(3,3-difluoropiperidin-1-yl)-3-pyridinyl]-6-pyridin-4-ylimidazo[1,2-b]pyridazine (PubChem CID 160775485) has the molecular formula C64H59BBrCl2F4N17O2 and a molecular weight of 1335.91 g/mol. Its IUPAC name is 3-bromo-6-pyridin-4-ylimidazo[1,2-b]pyridazine;3-(6-chloro-3-pyridinyl)-6-pyridin-4-ylimidazo[1,2-b]pyridazine;2-chloro-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine;3,3-difluoropiperidine;3-[6-(3,3-difluoropiperidin-1-yl)-3-pyridinyl]-6-pyridin-4-ylimidazo[1,2-b]pyridazine.

Molecular Properties

Compound Name3-bromo-6-pyridin-4-ylimidazo[1,2-b]pyridazine;3-(6-chloro-3-pyridinyl)-6-pyridin-4-ylimidazo[1,2-b]pyridazine;2-chloro-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine;3,3-difluoropiperidine;3-[6-(3,3-difluoropiperidin-1-yl)-3-pyridinyl]-6-pyridin-4-ylimidazo[1,2-b]pyridazine
PubChem CID160775485
Molecular FormulaC64H59BBrCl2F4N17O2
Molecular Weight1335.91 g/mol
Exact Mass1333.36
IUPAC Name3-bromo-6-pyridin-4-ylimidazo[1,2-b]pyridazine;3-(6-chloro-3-pyridinyl)-6-pyridin-4-ylimidazo[1,2-b]pyridazine;2-chloro-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine;3,3-difluoropiperidine;3-[6-(3,3-difluoropiperidin-1-yl)-3-pyridinyl]-6-pyridin-4-ylimidazo[1,2-b]pyridazine
SMILESBrc1cnc2ccc(-c3ccncc3)nn12.CC1(C)OB(c2ccc(Cl)nc2)OC1(C)C.Clc1ccc(-c2cnc3ccc(-c4ccncc4)nn23)cn1.FC1(F)CCCN(c2ccc(-c3cnc4ccc(-c5ccncc5)nn34)cn2)C1.FC1(F)CCCNC1
InChIInChI=1S/C21H18F2N6.C16H10ClN5.C11H15BClNO2.C11H7BrN4.C5H9F2N/c22-21(23)8-1-11-28(14-21)19-4-2-16(12-25-19)18-13-26-20-5-3-17(27-29(18)20)15-6-9-24-10-7-15;17-15-3-1-12(9-19-15)14-10-20-16-4-2-13(21-22(14)16)11-5-7-18-8-6-11;1-10(2)11(3,4)16-12(15-10)8-5-6-9(13)14-7-8;12-10-7-14-11-2-1-9(15-16(10)11)8-3-5-13-6-4-8;6-5(7)2-1-3-8-4-5/h2-7,9-10,12-13H,1,8,11,14H2;1-10H;5-7H,1-4H3;1-7H;8H,1-4H2
InChIKeyRZWRZMLEBBSIHY-UHFFFAOYSA-N
XLogP13.19
TPSA201.64 Ų
H-Bond Donors1
H-Bond Acceptors19
Rotatable Bonds7
Heavy Atoms91
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001335.91
LogP ≤ 513.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1019

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Analyze 3-bromo-6-pyridin-4-ylimidazo[1,2-b]pyridazine;3-(6-chloro-3-pyridinyl)-6-pyridin-4-ylimidazo[1,2-b]pyridazine;2-chloro-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine;3,3-difluoropiperidine;3-[6-(3,3-difluoropiperidin-1-yl)-3-pyridinyl]-6-pyridin-4-ylimidazo[1,2-b]pyridazine with MolForge

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Related Compounds

4-Aminocyclohexan-1-ol;3-bromo-6-chloroimidazo[1,2-b]pyridazine;6-chloro-3-[3-(trifluoromethyl)phenyl]imidazo[1,2-b]pyridazine;(3-methylphenyl)boronic acid;4-[[3-[3-(trifluoromethyl)phenyl]imidazo[1,2-b]pyridazin-6-yl]amino]cyclohexan-1-ol
CID 157759483
6-Chloro-8-[[6-(2-methylpyrrolidin-1-yl)-2-pyridinyl]methyl]imidazo[1,2-b]pyridazine;8-[[6-(2-methylpyrrolidin-1-yl)-2-pyridinyl]methyl]-6-[2-(trifluoromethyl)phenyl]imidazo[1,2-b]pyridazine;[2-(trifluoromethyl)phenyl]boronic acid;hydrochloride
CID 157784079
2-Bromo-6-(trifluoromethyl)pyridine;5-chloropyrazolo[1,5-a]pyrimidine;5-(2-chloro-3-pyridinyl)pyrazolo[1,5-a]pyrimidine;2-chloro-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine;5-[2-[6-(trifluoromethyl)-2-pyridinyl]-3-pyridinyl]pyrazolo[1,5-a]pyrimidine
CID 158030714
6-chloro-2-propan-2-yl-3a,7a-dihydro-1H-pyrrolo[3,2-b]pyridine;6-chloro-2-propan-2-ylimidazo[1,2-b]pyridazine;5-fluoro-2-propan-2-yl-3a,7a-dihydro-1H-pyrrolo[3,2-b]pyridine;6-fluoro-2-propan-2-yl-3a,7a-dihydro-1H-pyrrolo[3,2-b]pyridine;6-fluoro-2-propan-2-ylimidazo[1,2-b]pyridazine;6-methoxy-2-propan-2-yl-3a,7a-dihydro-1H-pyrrolo[3,2-b]pyridine;5-methyl-2-propan-2-yl-3a,7a-dihydro-1H-pyrrolo[3,2-b]pyridine;6-methyl-2-propan-2-yl-3a,7a-dihydro-1H-pyrrolo[3,2-b]pyridine;2-propan-2-yl-3a,7a-dihydro-1H-pyrrolo[2,3-b]pyridine;2-propan-2-yl-3a,7a-dihydro-1H-pyrrolo[3,2-b]pyridine;2-propan-2-yl-3a,7a-dihydro-1H-pyrrolo[2,3-c]pyridine;2-propan-2-yl-3a,7a-dihydro-1H-pyrrolo[3,2-c]pyridine;2-propan-2-ylimidazo[1,2-a]pyridine;2-propan-2-yl-6-(trifluoromethyl)imidazo[1,2-b]pyridazine
CID 158198489
2-Bromo-6-(trifluoromethyl)pyridine;3-isocyano-6-[3-propan-2-yl-5-[6-(trifluoromethyl)-2-pyridinyl]imidazol-4-yl]imidazo[1,2-b]pyridazine;2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-6-(trifluoromethyl)pyridine
CID 159002482
5-chloro-3-[6-[(3S)-3-methylpiperazin-1-yl]-2-pyridinyl]-2H-pyrazolo[3,4-b]pyridine;5-chloro-3-(6-piperazin-1-yl-2-pyridinyl)-2H-pyrazolo[3,4-b]pyridine;5-fluoro-3-[6-[(3S)-3-(2-methylpropyl)piperazin-1-yl]-3-(trifluoromethyl)-2-pyridinyl]-2H-pyrazolo[3,4-b]pyridine;5-fluoro-3-[6-piperazin-1-yl-3-(trifluoromethyl)-2-pyridinyl]-2H-pyrazolo[3,4-b]pyridine
CID 159723640
2-(4-Aminocyclohexyl)propan-2-ol;3-bromo-6-chloroimidazo[1,2-b]pyridazine;6-chloro-3-[3-(trifluoromethyl)phenyl]imidazo[1,2-b]pyridazine;bis(2-[4-[[3-[3-(trifluoromethyl)phenyl]imidazo[1,2-b]pyridazin-6-yl]amino]cyclohexyl]propan-2-ol);hydrochloride
CID 159841631
3-Bromo-6-(2-methyl-4-pyridinyl)imidazo[1,2-b]pyridazine;3,3-difluoropiperidine;3-[4-[(3,3-difluoropiperidin-1-yl)methyl]phenyl]-6-(2-methyl-4-pyridinyl)imidazo[1,2-b]pyridazine;4-[6-(2-methyl-4-pyridinyl)imidazo[1,2-b]pyridazin-3-yl]benzaldehyde;4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzaldehyde
CID 159869969
6-Chloro-3-(6-fluoropyridin-3-yl)imidazo[1,2-b]pyridazine;5-[3-(6-fluoropyridin-3-yl)imidazo[1,2-b]pyridazin-6-yl]-3-(trifluoromethyl)pyridin-2-amine
CID 159965165
(3S,4R)-1-[5-chloro-6-(2H-pyrazolo[3,4-b]pyridin-3-yl)-2-pyridinyl]-3-(2-methylpropyl)piperidin-4-amine;(3R,4S)-1-[5-chloro-6-(2H-pyrazolo[3,4-b]pyridin-3-yl)-2-pyridinyl]-3-(2-methylpropyl)piperidin-4-amine;3-[6-[3-(1,1-difluoro-2-methylpropyl)piperazin-1-yl]-3-(trifluoromethyl)-2-pyridinyl]-2H-pyrazolo[3,4-b]pyridine;3-[6-[3-(2-fluoropropan-2-yl)piperazin-1-yl]-2-pyridinyl]-2H-pyrazolo[3,4-b]pyridine
CID 161630526
2-(4-Aminocyclohexyl)propan-2-ol;3-bromo-6-chloroimidazo[1,2-b]pyridazine;2-[4-[(3-bromoimidazo[1,2-b]pyridazin-6-yl)amino]cyclohexyl]propan-2-ol;[3-(trifluoromethyl)phenyl]boronic acid;bis(2-[4-[[3-[3-(trifluoromethyl)phenyl]imidazo[1,2-b]pyridazin-6-yl]amino]cyclohexyl]propan-2-ol);hydrochloride
CID 161826262
4-Aminocyclohexan-1-ol;3-bromo-6-chloroimidazo[1,2-b]pyridazine;6-chloro-3-[3-(trifluoromethyl)phenyl]imidazo[1,2-b]pyridazine;[3-(trifluoromethyl)phenyl]boronic acid;bis(4-[[3-[3-(trifluoromethyl)phenyl]imidazo[1,2-b]pyridazin-6-yl]amino]cyclohexan-1-ol);hydrochloride
CID 162086663

Frequently Asked Questions

What is the IUPAC name of 3-bromo-6-pyridin-4-ylimidazo[1,2-b]pyridazine;3-(6-chloro-3-pyridinyl)-6-pyridin-4-ylimidazo[1,2-b]pyridazine;2-chloro-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine;3,3-difluoropiperidine;3-[6-(3,3-difluoropiperidin-1-yl)-3-pyridinyl]-6-pyridin-4-ylimidazo[1,2-b]pyridazine?
The IUPAC name of 3-bromo-6-pyridin-4-ylimidazo[1,2-b]pyridazine;3-(6-chloro-3-pyridinyl)-6-pyridin-4-ylimidazo[1,2-b]pyridazine;2-chloro-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine;3,3-difluoropiperidine;3-[6-(3,3-difluoropiperidin-1-yl)-3-pyridinyl]-6-pyridin-4-ylimidazo[1,2-b]pyridazine (CID 160775485) is 3-bromo-6-pyridin-4-ylimidazo[1,2-b]pyridazine;3-(6-chloro-3-pyridinyl)-6-pyridin-4-ylimidazo[1,2-b]pyridazine;2-chloro-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine;3,3-difluoropiperidine;3-[6-(3,3-difluoropiperidin-1-yl)-3-pyridinyl]-6-pyridin-4-ylimidazo[1,2-b]pyridazine.
What is the SMILES notation for 3-bromo-6-pyridin-4-ylimidazo[1,2-b]pyridazine;3-(6-chloro-3-pyridinyl)-6-pyridin-4-ylimidazo[1,2-b]pyridazine;2-chloro-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine;3,3-difluoropiperidine;3-[6-(3,3-difluoropiperidin-1-yl)-3-pyridinyl]-6-pyridin-4-ylimidazo[1,2-b]pyridazine?
The canonical SMILES for 3-bromo-6-pyridin-4-ylimidazo[1,2-b]pyridazine;3-(6-chloro-3-pyridinyl)-6-pyridin-4-ylimidazo[1,2-b]pyridazine;2-chloro-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine;3,3-difluoropiperidine;3-[6-(3,3-difluoropiperidin-1-yl)-3-pyridinyl]-6-pyridin-4-ylimidazo[1,2-b]pyridazine is Brc1cnc2ccc(-c3ccncc3)nn12.CC1(C)OB(c2ccc(Cl)nc2)OC1(C)C.Clc1ccc(-c2cnc3ccc(-c4ccncc4)nn23)cn1.FC1(F)CCCN(c2ccc(-c3cnc4ccc(-c5ccncc5)nn34)cn2)C1.FC1(F)CCCNC1.
What is the InChIKey of 3-bromo-6-pyridin-4-ylimidazo[1,2-b]pyridazine;3-(6-chloro-3-pyridinyl)-6-pyridin-4-ylimidazo[1,2-b]pyridazine;2-chloro-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine;3,3-difluoropiperidine;3-[6-(3,3-difluoropiperidin-1-yl)-3-pyridinyl]-6-pyridin-4-ylimidazo[1,2-b]pyridazine?
The InChIKey is RZWRZMLEBBSIHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18F2N6.C16H10ClN5.C11H15BClNO2.C11H7BrN4.C5H9F2N/c22-21(23)8-1-11-28(14-21)19-4-2-16(12-25-19)18-13-26-20-5-3-17(27-29(18)20)15-6-9-24-10-7-15;17-15-3-1-12(9-19-15)14-10-20-16-4-2-13(21-22(14)16)11-5-7-18-8-6-11;1-10(2)11(3,4)16-12(15-10)8-5-6-9(13)14-7-8;12-10-7-14-11-2-1-9(15-16(10)11)8-3-5-13-6-4-8;6-5(7)2-1-3-8-4-5/h2-7,9-10,12-13H,1,8,11,14H2;1-10H;5-7H,1-4H3;1-7H;8H,1-4H2.
What are the key properties of 3-bromo-6-pyridin-4-ylimidazo[1,2-b]pyridazine;3-(6-chloro-3-pyridinyl)-6-pyridin-4-ylimidazo[1,2-b]pyridazine;2-chloro-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine;3,3-difluoropiperidine;3-[6-(3,3-difluoropiperidin-1-yl)-3-pyridinyl]-6-pyridin-4-ylimidazo[1,2-b]pyridazine?
3-bromo-6-pyridin-4-ylimidazo[1,2-b]pyridazine;3-(6-chloro-3-pyridinyl)-6-pyridin-4-ylimidazo[1,2-b]pyridazine;2-chloro-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine;3,3-difluoropiperidine;3-[6-(3,3-difluoropiperidin-1-yl)-3-pyridinyl]-6-pyridin-4-ylimidazo[1,2-b]pyridazine has a molecular weight of 1335.91 g/mol, XLogP of 13.19, 7 rotatable bonds, 1 hydrogen bond donors, and 19 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-6-pyridin-4-ylimidazo[1,2-b]pyridazine;3-(6-chloro-3-pyridinyl)-6-pyridin-4-ylimidazo[1,2-b]pyridazine;2-chloro-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine;3,3-difluoropiperidine;3-[6-(3,3-difluoropiperidin-1-yl)-3-pyridinyl]-6-pyridin-4-ylimidazo[1,2-b]pyridazine is sourced from PubChem (CID 160775485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).