3-[7-[(1S)-1-aminoethyl]imidazo[1,2-b]pyridazin-6-yl]phenol;4-[7-[(1S)-1-aminoethyl]imidazo[1,2-b]pyridazin-6-yl]phenol;(1S)-1-(2-methyl-6-phenylimidazo[1,2-b]pyridazin-7-yl)ethanamine;(1S)-1-[6-(3-methylsulfonylphenyl)imidazo[1,2-b]pyridazin-7-yl]ethanamine;(1S)-1-(6-thiophen-3-ylimidazo[1,2-b]pyridazin-7-yl)ethanamine;(1S)-1-[6-[3-(trifluoromethyl)phenyl]imidazo[1,2-b]pyridazin-7-yl]ethanamine

C85H85F3N24O4S2 — CID 158483587

IUPAC3-[7-[(1S)-1-aminoethyl]imidazo[1,2-b]pyridazin-6-yl]phenol;4-[7-[(1S)-1-aminoethyl]imidazo[1,2-b]pyridazin-6-yl]phenol;(1S)-1-(2-methyl-6-phenylimidazo[1,2-b]pyridazin-7-yl)ethanamine;(1S)-1-[6-(3-methylsulfonylphenyl)imidazo[1,2-b]pyridazin-7-yl]ethanamine;(1S)-1-(6-thiophen-3-ylimidazo[1,2-b]pyridazin-7-yl)ethanamine;(1S)-1-[6-[3-(trifluoromethyl)phenyl]imidazo[1,2-b]pyridazin-7-yl]ethanamine
SMILESC[C@H](N)c1cc2nccn2nc1-c1ccc(O)cc1.C[C@H](N)c1cc2nccn2nc1-c1cccc(C(F)(F)F)c1.C[C@H](N)c1cc2nccn2nc1-c1cccc(O)c1.C[C@H](N)c1cc2nccn2nc1-c1cccc(S(C)(=O)=O)c1.C[C@H](N)c1cc2nccn2nc1-c1ccsc1.Cc1cn2nc(-c3ccccc3)c([C@H](C)N)cc2n1
InChIInChI=1S/C15H13F3N4.C15H16N4O2S.C15H16N4.2C14H14N4O.C12H12N4S/c1-9(19)12-8-13-20-5-6-22(13)21-14(12)10-3-2-4-11(7-10)15(16,17)18;1-10(16)13-9-14-17-6-7-19(14)18-15(13)11-4-3-5-12(8-11)22(2,20)21;1-10-9-19-14(17-10)8-13(11(2)16)15(18-19)12-6-4-3-5-7-12;1-9(15)12-8-13-16-6-7-18(13)17-14(12)10-2-4-11(19)5-3-10;1-9(15)12-8-13-16-5-6-18(13)17-14(12)10-3-2-4-11(19)7-10;1-8(13)10-6-11-14-3-4-16(11)15-12(10)9-2-5-17-7-9/h2-9H,19H2,1H3;3-10H,16H2,1-2H3;3-9,11H,16H2,1-2H3;2*2-9,19H,15H2,1H3;2-8H,13H2,1H3/t9-;10-;11-;2*9-;8-/m000000/s1
InChIKeyHHUXERWYPJSXPV-ROSJOXMXSA-N
MW1627.91 g/mol
LogP14.70
Rot. Bonds13

About 3-[7-[(1S)-1-aminoethyl]imidazo[1,2-b]pyridazin-6-yl]phenol;4-[7-[(1S)-1-aminoethyl]imidazo[1,2-b]pyridazin-6-yl]phenol;(1S)-1-(2-methyl-6-phenylimidazo[1,2-b]pyridazin-7-yl)ethanamine;(1S)-1-[6-(3-methylsulfonylphenyl)imidazo[1,2-b]pyridazin-7-yl]ethanamine;(1S)-1-(6-thiophen-3-ylimidazo[1,2-b]pyridazin-7-yl)ethanamine;(1S)-1-[6-[3-(trifluoromethyl)phenyl]imidazo[1,2-b]pyridazin-7-yl]ethanamine

3-[7-[(1S)-1-aminoethyl]imidazo[1,2-b]pyridazin-6-yl]phenol;4-[7-[(1S)-1-aminoethyl]imidazo[1,2-b]pyridazin-6-yl]phenol;(1S)-1-(2-methyl-6-phenylimidazo[1,2-b]pyridazin-7-yl)ethanamine;(1S)-1-[6-(3-methylsulfonylphenyl)imidazo[1,2-b]pyridazin-7-yl]ethanamine;(1S)-1-(6-thiophen-3-ylimidazo[1,2-b]pyridazin-7-yl)ethanamine;(1S)-1-[6-[3-(trifluoromethyl)phenyl]imidazo[1,2-b]pyridazin-7-yl]ethanamine (PubChem CID 158483587) has the molecular formula C85H85F3N24O4S2 and a molecular weight of 1627.91 g/mol. Its IUPAC name is 3-[7-[(1S)-1-aminoethyl]imidazo[1,2-b]pyridazin-6-yl]phenol;4-[7-[(1S)-1-aminoethyl]imidazo[1,2-b]pyridazin-6-yl]phenol;(1S)-1-(2-methyl-6-phenylimidazo[1,2-b]pyridazin-7-yl)ethanamine;(1S)-1-[6-(3-methylsulfonylphenyl)imidazo[1,2-b]pyridazin-7-yl]ethanamine;(1S)-1-(6-thiophen-3-ylimidazo[1,2-b]pyridazin-7-yl)ethanamine;(1S)-1-[6-[3-(trifluoromethyl)phenyl]imidazo[1,2-b]pyridazin-7-yl]ethanamine.

Molecular Properties

Compound Name3-[7-[(1S)-1-aminoethyl]imidazo[1,2-b]pyridazin-6-yl]phenol;4-[7-[(1S)-1-aminoethyl]imidazo[1,2-b]pyridazin-6-yl]phenol;(1S)-1-(2-methyl-6-phenylimidazo[1,2-b]pyridazin-7-yl)ethanamine;(1S)-1-[6-(3-methylsulfonylphenyl)imidazo[1,2-b]pyridazin-7-yl]ethanamine;(1S)-1-(6-thiophen-3-ylimidazo[1,2-b]pyridazin-7-yl)ethanamine;(1S)-1-[6-[3-(trifluoromethyl)phenyl]imidazo[1,2-b]pyridazin-7-yl]ethanamine
PubChem CID158483587
Molecular FormulaC85H85F3N24O4S2
Molecular Weight1627.91 g/mol
Exact Mass1626.66
IUPAC Name3-[7-[(1S)-1-aminoethyl]imidazo[1,2-b]pyridazin-6-yl]phenol;4-[7-[(1S)-1-aminoethyl]imidazo[1,2-b]pyridazin-6-yl]phenol;(1S)-1-(2-methyl-6-phenylimidazo[1,2-b]pyridazin-7-yl)ethanamine;(1S)-1-[6-(3-methylsulfonylphenyl)imidazo[1,2-b]pyridazin-7-yl]ethanamine;(1S)-1-(6-thiophen-3-ylimidazo[1,2-b]pyridazin-7-yl)ethanamine;(1S)-1-[6-[3-(trifluoromethyl)phenyl]imidazo[1,2-b]pyridazin-7-yl]ethanamine
SMILESC[C@H](N)c1cc2nccn2nc1-c1ccc(O)cc1.C[C@H](N)c1cc2nccn2nc1-c1cccc(C(F)(F)F)c1.C[C@H](N)c1cc2nccn2nc1-c1cccc(O)c1.C[C@H](N)c1cc2nccn2nc1-c1cccc(S(C)(=O)=O)c1.C[C@H](N)c1cc2nccn2nc1-c1ccsc1.Cc1cn2nc(-c3ccccc3)c([C@H](C)N)cc2n1
InChIInChI=1S/C15H13F3N4.C15H16N4O2S.C15H16N4.2C14H14N4O.C12H12N4S/c1-9(19)12-8-13-20-5-6-22(13)21-14(12)10-3-2-4-11(7-10)15(16,17)18;1-10(16)13-9-14-17-6-7-19(14)18-15(13)11-4-3-5-12(8-11)22(2,20)21;1-10-9-19-14(17-10)8-13(11(2)16)15(18-19)12-6-4-3-5-7-12;1-9(15)12-8-13-16-6-7-18(13)17-14(12)10-2-4-11(19)5-3-10;1-9(15)12-8-13-16-5-6-18(13)17-14(12)10-3-2-4-11(19)7-10;1-8(13)10-6-11-14-3-4-16(11)15-12(10)9-2-5-17-7-9/h2-9H,19H2,1H3;3-10H,16H2,1-2H3;3-9,11H,16H2,1-2H3;2*2-9,19H,15H2,1H3;2-8H,13H2,1H3/t9-;10-;11-;2*9-;8-/m000000/s1
InChIKeyHHUXERWYPJSXPV-ROSJOXMXSA-N
XLogP14.70
TPSA411.86 Ų
H-Bond Donors8
H-Bond Acceptors29
Rotatable Bonds13
Heavy Atoms118
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001627.91
LogP ≤ 514.70
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1029

Analyze 3-[7-[(1S)-1-aminoethyl]imidazo[1,2-b]pyridazin-6-yl]phenol;4-[7-[(1S)-1-aminoethyl]imidazo[1,2-b]pyridazin-6-yl]phenol;(1S)-1-(2-methyl-6-phenylimidazo[1,2-b]pyridazin-7-yl)ethanamine;(1S)-1-[6-(3-methylsulfonylphenyl)imidazo[1,2-b]pyridazin-7-yl]ethanamine;(1S)-1-(6-thiophen-3-ylimidazo[1,2-b]pyridazin-7-yl)ethanamine;(1S)-1-[6-[3-(trifluoromethyl)phenyl]imidazo[1,2-b]pyridazin-7-yl]ethanamine with MolForge

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Related Compounds

N-[(1,1-dioxothian-4-yl)methyl]-3-[3-(trifluoromethoxy)phenyl]imidazo[1,2-b]pyridazin-6-amine;1-methyl-4-[[3-[3-(trifluoromethoxy)phenyl]imidazo[1,2-b]pyridazin-6-yl]amino]cyclohexan-1-ol;N-(oxan-4-yl)-3-[3-(trifluoromethoxy)phenyl]imidazo[1,2-b]pyridazin-6-amine;[4-[[3-[3-(trifluoromethoxy)phenyl]imidazo[1,2-b]pyridazin-6-yl]amino]cyclohexyl]methanol;2-[4-[[3-[3-(trifluoromethoxy)phenyl]imidazo[1,2-b]pyridazin-6-yl]amino]cyclohexyl]propan-2-ol;4-N-[3-[3-(trifluoromethoxy)phenyl]imidazo[1,2-b]pyridazin-6-yl]cyclohexane-1,4-diamine
CID 158721547
4-[7-[(1S)-1-[(6-amino-5-isocyanopyrimidin-4-yl)amino]ethyl]-3-chloroimidazo[1,2-b]pyridazin-6-yl]phenol;N-[(1S)-1-[3-chloro-6-(3-fluorophenyl)imidazo[1,2-b]pyridazin-7-yl]propyl]-7H-purin-6-amine;4-N-[(1S)-1-[3-chloro-6-(3-methylsulfonylphenyl)imidazo[1,2-b]pyridazin-7-yl]ethyl]-5-isocyanopyrimidine-4,6-diamine;4-N-[(1S)-1-[3-chloro-6-[3-(trifluoromethyl)phenyl]imidazo[1,2-b]pyridazin-7-yl]ethyl]-5-isocyanopyrimidine-4,6-diamine;sulfane
CID 158821048
N-[(1,1-dioxothian-4-yl)methyl]-3-[3-(trifluoromethoxy)phenyl]imidazo[1,2-b]pyridazin-6-amine;N-(1,1-dioxothian-4-yl)-3-[3-(trifluoromethoxy)phenyl]imidazo[1,2-b]pyridazin-6-amine;1-methyl-4-[[3-[3-(trifluoromethoxy)phenyl]imidazo[1,2-b]pyridazin-6-yl]amino]cyclohexan-1-ol;N-(oxan-4-yl)-3-[3-(trifluoromethoxy)phenyl]imidazo[1,2-b]pyridazin-6-amine;[4-[[3-[3-(trifluoromethoxy)phenyl]imidazo[1,2-b]pyridazin-6-yl]amino]cyclohexyl]methanol;2-[4-[[3-[3-(trifluoromethoxy)phenyl]imidazo[1,2-b]pyridazin-6-yl]amino]cyclohexyl]propan-2-ol;4-N-[3-[3-(trifluoromethoxy)phenyl]imidazo[1,2-b]pyridazin-6-yl]cyclohexane-1,4-diamine
CID 160094100
3-[7-[(1S)-1-aminoethyl]imidazo[1,2-b]pyridazin-6-yl]phenol;4-[7-[(1S)-1-aminoethyl]imidazo[1,2-b]pyridazin-6-yl]phenol;(1S)-1-(2-methyl-6-phenylimidazo[1,2-b]pyridazin-7-yl)ethanamine;(1S)-1-[6-(3-methylphenyl)imidazo[1,2-b]pyridazin-7-yl]ethanamine;(1S)-1-[6-(3-methylsulfonylphenyl)imidazo[1,2-b]pyridazin-7-yl]ethanamine;(1S)-1-(6-quinolin-7-ylimidazo[1,2-b]pyridazin-7-yl)ethanamine;(1S)-1-(6-thiophen-3-ylimidazo[1,2-b]pyridazin-7-yl)ethanamine;(1S)-1-[6-[3-(trifluoromethyl)phenyl]imidazo[1,2-b]pyridazin-7-yl]ethanamine
CID 160319238
3-[4-(cyclopenten-1-yl)pyrimidin-2-yl]-6-(difluoromethyl)imidazo[1,2-a]pyrazine;1-[2-[6-(difluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]-N-methylpiperidine-3-sulfonamide;3-[2-[6-(difluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]phenol;[3-[2-[6-(difluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]phenyl]methanol;6-(difluoromethyl)-3-[4-(3-methylsulfonylpiperidin-1-yl)pyrimidin-2-yl]imidazo[1,2-a]pyrazine
CID 159505660
5-Imidazo[1,2-a]pyridin-7-yl-2-[3-(2,2,6,6-tetramethylpiperidin-4-yl)triazolo[4,5-c]pyridazin-6-yl]phenol;5-imidazo[1,5-a]pyridin-7-yl-2-[3-(2,2,6,6-tetramethylpiperidin-4-yl)triazolo[4,5-c]pyridazin-6-yl]phenol;2-[3-(2,2,6,6-tetramethylpiperidin-4-yl)triazolo[4,5-c]pyridazin-6-yl]-5-thiophen-3-ylphenol
CID 160651637
3-(4-amino-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-3-yl)-5-fluorophenol;4-(4-amino-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-3-yl)-2-fluorophenol;5-(4-amino-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-3-yl)-2-fluorophenol;N-[3-(4-amino-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-3-yl)-5-fluorophenyl]methanesulfonamide;[3-(4-amino-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-3-yl)-5-fluorophenyl]methanol;3-(4-amino-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-3-yl)phenol;9-propan-2-ylpurin-6-amine;1-propan-2-ylpyrazolo[3,4-d]pyrimidin-4-amine
CID 161442002

Frequently Asked Questions

What is the IUPAC name of 3-[7-[(1S)-1-aminoethyl]imidazo[1,2-b]pyridazin-6-yl]phenol;4-[7-[(1S)-1-aminoethyl]imidazo[1,2-b]pyridazin-6-yl]phenol;(1S)-1-(2-methyl-6-phenylimidazo[1,2-b]pyridazin-7-yl)ethanamine;(1S)-1-[6-(3-methylsulfonylphenyl)imidazo[1,2-b]pyridazin-7-yl]ethanamine;(1S)-1-(6-thiophen-3-ylimidazo[1,2-b]pyridazin-7-yl)ethanamine;(1S)-1-[6-[3-(trifluoromethyl)phenyl]imidazo[1,2-b]pyridazin-7-yl]ethanamine?
The IUPAC name of 3-[7-[(1S)-1-aminoethyl]imidazo[1,2-b]pyridazin-6-yl]phenol;4-[7-[(1S)-1-aminoethyl]imidazo[1,2-b]pyridazin-6-yl]phenol;(1S)-1-(2-methyl-6-phenylimidazo[1,2-b]pyridazin-7-yl)ethanamine;(1S)-1-[6-(3-methylsulfonylphenyl)imidazo[1,2-b]pyridazin-7-yl]ethanamine;(1S)-1-(6-thiophen-3-ylimidazo[1,2-b]pyridazin-7-yl)ethanamine;(1S)-1-[6-[3-(trifluoromethyl)phenyl]imidazo[1,2-b]pyridazin-7-yl]ethanamine (CID 158483587) is 3-[7-[(1S)-1-aminoethyl]imidazo[1,2-b]pyridazin-6-yl]phenol;4-[7-[(1S)-1-aminoethyl]imidazo[1,2-b]pyridazin-6-yl]phenol;(1S)-1-(2-methyl-6-phenylimidazo[1,2-b]pyridazin-7-yl)ethanamine;(1S)-1-[6-(3-methylsulfonylphenyl)imidazo[1,2-b]pyridazin-7-yl]ethanamine;(1S)-1-(6-thiophen-3-ylimidazo[1,2-b]pyridazin-7-yl)ethanamine;(1S)-1-[6-[3-(trifluoromethyl)phenyl]imidazo[1,2-b]pyridazin-7-yl]ethanamine.
What is the SMILES notation for 3-[7-[(1S)-1-aminoethyl]imidazo[1,2-b]pyridazin-6-yl]phenol;4-[7-[(1S)-1-aminoethyl]imidazo[1,2-b]pyridazin-6-yl]phenol;(1S)-1-(2-methyl-6-phenylimidazo[1,2-b]pyridazin-7-yl)ethanamine;(1S)-1-[6-(3-methylsulfonylphenyl)imidazo[1,2-b]pyridazin-7-yl]ethanamine;(1S)-1-(6-thiophen-3-ylimidazo[1,2-b]pyridazin-7-yl)ethanamine;(1S)-1-[6-[3-(trifluoromethyl)phenyl]imidazo[1,2-b]pyridazin-7-yl]ethanamine?
The canonical SMILES for 3-[7-[(1S)-1-aminoethyl]imidazo[1,2-b]pyridazin-6-yl]phenol;4-[7-[(1S)-1-aminoethyl]imidazo[1,2-b]pyridazin-6-yl]phenol;(1S)-1-(2-methyl-6-phenylimidazo[1,2-b]pyridazin-7-yl)ethanamine;(1S)-1-[6-(3-methylsulfonylphenyl)imidazo[1,2-b]pyridazin-7-yl]ethanamine;(1S)-1-(6-thiophen-3-ylimidazo[1,2-b]pyridazin-7-yl)ethanamine;(1S)-1-[6-[3-(trifluoromethyl)phenyl]imidazo[1,2-b]pyridazin-7-yl]ethanamine is C[C@H](N)c1cc2nccn2nc1-c1ccc(O)cc1.C[C@H](N)c1cc2nccn2nc1-c1cccc(C(F)(F)F)c1.C[C@H](N)c1cc2nccn2nc1-c1cccc(O)c1.C[C@H](N)c1cc2nccn2nc1-c1cccc(S(C)(=O)=O)c1.C[C@H](N)c1cc2nccn2nc1-c1ccsc1.Cc1cn2nc(-c3ccccc3)c([C@H](C)N)cc2n1.
What is the InChIKey of 3-[7-[(1S)-1-aminoethyl]imidazo[1,2-b]pyridazin-6-yl]phenol;4-[7-[(1S)-1-aminoethyl]imidazo[1,2-b]pyridazin-6-yl]phenol;(1S)-1-(2-methyl-6-phenylimidazo[1,2-b]pyridazin-7-yl)ethanamine;(1S)-1-[6-(3-methylsulfonylphenyl)imidazo[1,2-b]pyridazin-7-yl]ethanamine;(1S)-1-(6-thiophen-3-ylimidazo[1,2-b]pyridazin-7-yl)ethanamine;(1S)-1-[6-[3-(trifluoromethyl)phenyl]imidazo[1,2-b]pyridazin-7-yl]ethanamine?
The InChIKey is HHUXERWYPJSXPV-ROSJOXMXSA-N. The full InChI is InChI=1S/C15H13F3N4.C15H16N4O2S.C15H16N4.2C14H14N4O.C12H12N4S/c1-9(19)12-8-13-20-5-6-22(13)21-14(12)10-3-2-4-11(7-10)15(16,17)18;1-10(16)13-9-14-17-6-7-19(14)18-15(13)11-4-3-5-12(8-11)22(2,20)21;1-10-9-19-14(17-10)8-13(11(2)16)15(18-19)12-6-4-3-5-7-12;1-9(15)12-8-13-16-6-7-18(13)17-14(12)10-2-4-11(19)5-3-10;1-9(15)12-8-13-16-5-6-18(13)17-14(12)10-3-2-4-11(19)7-10;1-8(13)10-6-11-14-3-4-16(11)15-12(10)9-2-5-17-7-9/h2-9H,19H2,1H3;3-10H,16H2,1-2H3;3-9,11H,16H2,1-2H3;2*2-9,19H,15H2,1H3;2-8H,13H2,1H3/t9-;10-;11-;2*9-;8-/m000000/s1.
What are the key properties of 3-[7-[(1S)-1-aminoethyl]imidazo[1,2-b]pyridazin-6-yl]phenol;4-[7-[(1S)-1-aminoethyl]imidazo[1,2-b]pyridazin-6-yl]phenol;(1S)-1-(2-methyl-6-phenylimidazo[1,2-b]pyridazin-7-yl)ethanamine;(1S)-1-[6-(3-methylsulfonylphenyl)imidazo[1,2-b]pyridazin-7-yl]ethanamine;(1S)-1-(6-thiophen-3-ylimidazo[1,2-b]pyridazin-7-yl)ethanamine;(1S)-1-[6-[3-(trifluoromethyl)phenyl]imidazo[1,2-b]pyridazin-7-yl]ethanamine?
3-[7-[(1S)-1-aminoethyl]imidazo[1,2-b]pyridazin-6-yl]phenol;4-[7-[(1S)-1-aminoethyl]imidazo[1,2-b]pyridazin-6-yl]phenol;(1S)-1-(2-methyl-6-phenylimidazo[1,2-b]pyridazin-7-yl)ethanamine;(1S)-1-[6-(3-methylsulfonylphenyl)imidazo[1,2-b]pyridazin-7-yl]ethanamine;(1S)-1-(6-thiophen-3-ylimidazo[1,2-b]pyridazin-7-yl)ethanamine;(1S)-1-[6-[3-(trifluoromethyl)phenyl]imidazo[1,2-b]pyridazin-7-yl]ethanamine has a molecular weight of 1627.91 g/mol, XLogP of 14.70, 13 rotatable bonds, 8 hydrogen bond donors, and 29 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[7-[(1S)-1-aminoethyl]imidazo[1,2-b]pyridazin-6-yl]phenol;4-[7-[(1S)-1-aminoethyl]imidazo[1,2-b]pyridazin-6-yl]phenol;(1S)-1-(2-methyl-6-phenylimidazo[1,2-b]pyridazin-7-yl)ethanamine;(1S)-1-[6-(3-methylsulfonylphenyl)imidazo[1,2-b]pyridazin-7-yl]ethanamine;(1S)-1-(6-thiophen-3-ylimidazo[1,2-b]pyridazin-7-yl)ethanamine;(1S)-1-[6-[3-(trifluoromethyl)phenyl]imidazo[1,2-b]pyridazin-7-yl]ethanamine is sourced from PubChem (CID 158483587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).