4-[4-(6-chloroimidazo[1,2-b]pyridazin-3-yl)-2-pyridinyl]morpholine;6-chloro-3-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]imidazo[1,2-b]pyridazine;1-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]pyrrolidine-3-sulfonamide;N-[[(2S)-4-[6-(6-ethylimidazo[1,2-b]pyridazin-3-yl)pyrimidin-4-yl]morpholin-2-yl]methyl]methanesulfonamide;1-[4-[4-(6-methylimidazo[1,2-b]pyridazin-3-yl)-2-pyridinyl]piperazin-1-yl]ethanone

C82H89Cl2F2N31O7S2 — CID 157383933

IUPAC4-[4-(6-chloroimidazo[1,2-b]pyridazin-3-yl)-2-pyridinyl]morpholine;6-chloro-3-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]imidazo[1,2-b]pyridazine;1-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]pyrrolidine-3-sulfonamide;N-[[(2S)-4-[6-(6-ethylimidazo[1,2-b]pyridazin-3-yl)pyrimidin-4-yl]morpholin-2-yl]methyl]methanesulfonamide;1-[4-[4-(6-methylimidazo[1,2-b]pyridazin-3-yl)-2-pyridinyl]piperazin-1-yl]ethanone
SMILESCC(=O)N1CCN(c2cc(-c3cnc4ccc(C)nn34)ccn2)CC1.CCc1ccc2ncc(-c3cc(N4CCO[C@H](CNS(C)(=O)=O)C4)ncn3)n2n1.CN1CCN(c2cc(-c3cnc4ccc(Cl)nn34)ccn2)CC1.Clc1ccc2ncc(-c3ccnc(N4CCOCC4)c3)n2n1.NS(=O)(=O)C1CCN(c2cc(-c3cnc4ccc(C(F)F)nn34)ncn2)C1
InChIInChI=1S/C18H23N7O3S.C18H20N6O.C16H17ClN6.C15H14ClN5O.C15H15F2N7O2S/c1-3-13-4-5-17-19-10-16(25(17)23-13)15-8-18(21-12-20-15)24-6-7-28-14(11-24)9-22-29(2,26)27;1-13-3-4-17-20-12-16(24(17)21-13)15-5-6-19-18(11-15)23-9-7-22(8-10-23)14(2)25;1-21-6-8-22(9-7-21)16-10-12(4-5-18-16)13-11-19-15-3-2-14(17)20-23(13)15;16-13-1-2-14-18-10-12(21(14)19-13)11-3-4-17-15(9-11)20-5-7-22-8-6-20;16-15(17)10-1-2-13-19-6-12(24(13)22-10)11-5-14(21-8-20-11)23-4-3-9(7-23)27(18,25)26/h4-5,8,10,12,14,22H,3,6-7,9,11H2,1-2H3;3-6,11-12H,7-10H2,1-2H3;2-5,10-11H,6-9H2,1H3;1-4,9-10H,5-8H2;1-2,5-6,8-9,15H,3-4,7H2,(H2,18,25,26)/t14-;;;;/m1..../s1
InChIKeyBLEYZNRKOQRGTK-WGVOJFRMSA-N
MW1793.86 g/mol
LogP7.74
Rot. Bonds16

About 4-[4-(6-chloroimidazo[1,2-b]pyridazin-3-yl)-2-pyridinyl]morpholine;6-chloro-3-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]imidazo[1,2-b]pyridazine;1-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]pyrrolidine-3-sulfonamide;N-[[(2S)-4-[6-(6-ethylimidazo[1,2-b]pyridazin-3-yl)pyrimidin-4-yl]morpholin-2-yl]methyl]methanesulfonamide;1-[4-[4-(6-methylimidazo[1,2-b]pyridazin-3-yl)-2-pyridinyl]piperazin-1-yl]ethanone

4-[4-(6-chloroimidazo[1,2-b]pyridazin-3-yl)-2-pyridinyl]morpholine;6-chloro-3-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]imidazo[1,2-b]pyridazine;1-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]pyrrolidine-3-sulfonamide;N-[[(2S)-4-[6-(6-ethylimidazo[1,2-b]pyridazin-3-yl)pyrimidin-4-yl]morpholin-2-yl]methyl]methanesulfonamide;1-[4-[4-(6-methylimidazo[1,2-b]pyridazin-3-yl)-2-pyridinyl]piperazin-1-yl]ethanone (PubChem CID 157383933) has the molecular formula C82H89Cl2F2N31O7S2 and a molecular weight of 1793.86 g/mol. Its IUPAC name is 4-[4-(6-chloroimidazo[1,2-b]pyridazin-3-yl)-2-pyridinyl]morpholine;6-chloro-3-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]imidazo[1,2-b]pyridazine;1-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]pyrrolidine-3-sulfonamide;N-[[(2S)-4-[6-(6-ethylimidazo[1,2-b]pyridazin-3-yl)pyrimidin-4-yl]morpholin-2-yl]methyl]methanesulfonamide;1-[4-[4-(6-methylimidazo[1,2-b]pyridazin-3-yl)-2-pyridinyl]piperazin-1-yl]ethanone.

Molecular Properties

Compound Name4-[4-(6-chloroimidazo[1,2-b]pyridazin-3-yl)-2-pyridinyl]morpholine;6-chloro-3-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]imidazo[1,2-b]pyridazine;1-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]pyrrolidine-3-sulfonamide;N-[[(2S)-4-[6-(6-ethylimidazo[1,2-b]pyridazin-3-yl)pyrimidin-4-yl]morpholin-2-yl]methyl]methanesulfonamide;1-[4-[4-(6-methylimidazo[1,2-b]pyridazin-3-yl)-2-pyridinyl]piperazin-1-yl]ethanone
PubChem CID157383933
Molecular FormulaC82H89Cl2F2N31O7S2
Molecular Weight1793.86 g/mol
Exact Mass1791.63
IUPAC Name4-[4-(6-chloroimidazo[1,2-b]pyridazin-3-yl)-2-pyridinyl]morpholine;6-chloro-3-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]imidazo[1,2-b]pyridazine;1-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]pyrrolidine-3-sulfonamide;N-[[(2S)-4-[6-(6-ethylimidazo[1,2-b]pyridazin-3-yl)pyrimidin-4-yl]morpholin-2-yl]methyl]methanesulfonamide;1-[4-[4-(6-methylimidazo[1,2-b]pyridazin-3-yl)-2-pyridinyl]piperazin-1-yl]ethanone
SMILESCC(=O)N1CCN(c2cc(-c3cnc4ccc(C)nn34)ccn2)CC1.CCc1ccc2ncc(-c3cc(N4CCO[C@H](CNS(C)(=O)=O)C4)ncn3)n2n1.CN1CCN(c2cc(-c3cnc4ccc(Cl)nn34)ccn2)CC1.Clc1ccc2ncc(-c3ccnc(N4CCOCC4)c3)n2n1.NS(=O)(=O)C1CCN(c2cc(-c3cnc4ccc(C(F)F)nn34)ncn2)C1
InChIInChI=1S/C18H23N7O3S.C18H20N6O.C16H17ClN6.C15H14ClN5O.C15H15F2N7O2S/c1-3-13-4-5-17-19-10-16(25(17)23-13)15-8-18(21-12-20-15)24-6-7-28-14(11-24)9-22-29(2,26)27;1-13-3-4-17-20-12-16(24(17)21-13)15-5-6-19-18(11-15)23-9-7-22(8-10-23)14(2)25;1-21-6-8-22(9-7-21)16-10-12(4-5-18-16)13-11-19-15-3-2-14(17)20-23(13)15;16-13-1-2-14-18-10-12(21(14)19-13)11-3-4-17-15(9-11)20-5-7-22-8-6-20;16-15(17)10-1-2-13-19-6-12(24(13)22-10)11-5-14(21-8-20-11)23-4-3-9(7-23)27(18,25)26/h4-5,8,10,12,14,22H,3,6-7,9,11H2,1-2H3;3-6,11-12H,7-10H2,1-2H3;2-5,10-11H,6-9H2,1H3;1-4,9-10H,5-8H2;1-2,5-6,8-9,15H,3-4,7H2,(H2,18,25,26)/t14-;;;;/m1..../s1
InChIKeyBLEYZNRKOQRGTK-WGVOJFRMSA-N
XLogP7.74
TPSA405.72 Ų
H-Bond Donors2
H-Bond Acceptors35
Rotatable Bonds16
Heavy Atoms126
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001793.86
LogP ≤ 57.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1035

Analyze 4-[4-(6-chloroimidazo[1,2-b]pyridazin-3-yl)-2-pyridinyl]morpholine;6-chloro-3-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]imidazo[1,2-b]pyridazine;1-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]pyrrolidine-3-sulfonamide;N-[[(2S)-4-[6-(6-ethylimidazo[1,2-b]pyridazin-3-yl)pyrimidin-4-yl]morpholin-2-yl]methyl]methanesulfonamide;1-[4-[4-(6-methylimidazo[1,2-b]pyridazin-3-yl)-2-pyridinyl]piperazin-1-yl]ethanone with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4-[4-(6-chloroimidazo[1,2-b]pyridazin-3-yl)-2-pyridinyl]morpholine;6-chloro-3-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]imidazo[1,2-b]pyridazine;1-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]pyrrolidine-3-sulfonamide;N-[[(2S)-4-[6-(6-ethylimidazo[1,2-b]pyridazin-3-yl)pyrimidin-4-yl]morpholin-2-yl]methyl]methanesulfonamide;1-[4-[4-(6-methylimidazo[1,2-b]pyridazin-3-yl)-2-pyridinyl]piperazin-1-yl]ethanone?
The IUPAC name of 4-[4-(6-chloroimidazo[1,2-b]pyridazin-3-yl)-2-pyridinyl]morpholine;6-chloro-3-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]imidazo[1,2-b]pyridazine;1-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]pyrrolidine-3-sulfonamide;N-[[(2S)-4-[6-(6-ethylimidazo[1,2-b]pyridazin-3-yl)pyrimidin-4-yl]morpholin-2-yl]methyl]methanesulfonamide;1-[4-[4-(6-methylimidazo[1,2-b]pyridazin-3-yl)-2-pyridinyl]piperazin-1-yl]ethanone (CID 157383933) is 4-[4-(6-chloroimidazo[1,2-b]pyridazin-3-yl)-2-pyridinyl]morpholine;6-chloro-3-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]imidazo[1,2-b]pyridazine;1-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]pyrrolidine-3-sulfonamide;N-[[(2S)-4-[6-(6-ethylimidazo[1,2-b]pyridazin-3-yl)pyrimidin-4-yl]morpholin-2-yl]methyl]methanesulfonamide;1-[4-[4-(6-methylimidazo[1,2-b]pyridazin-3-yl)-2-pyridinyl]piperazin-1-yl]ethanone.
What is the SMILES notation for 4-[4-(6-chloroimidazo[1,2-b]pyridazin-3-yl)-2-pyridinyl]morpholine;6-chloro-3-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]imidazo[1,2-b]pyridazine;1-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]pyrrolidine-3-sulfonamide;N-[[(2S)-4-[6-(6-ethylimidazo[1,2-b]pyridazin-3-yl)pyrimidin-4-yl]morpholin-2-yl]methyl]methanesulfonamide;1-[4-[4-(6-methylimidazo[1,2-b]pyridazin-3-yl)-2-pyridinyl]piperazin-1-yl]ethanone?
The canonical SMILES for 4-[4-(6-chloroimidazo[1,2-b]pyridazin-3-yl)-2-pyridinyl]morpholine;6-chloro-3-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]imidazo[1,2-b]pyridazine;1-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]pyrrolidine-3-sulfonamide;N-[[(2S)-4-[6-(6-ethylimidazo[1,2-b]pyridazin-3-yl)pyrimidin-4-yl]morpholin-2-yl]methyl]methanesulfonamide;1-[4-[4-(6-methylimidazo[1,2-b]pyridazin-3-yl)-2-pyridinyl]piperazin-1-yl]ethanone is CC(=O)N1CCN(c2cc(-c3cnc4ccc(C)nn34)ccn2)CC1.CCc1ccc2ncc(-c3cc(N4CCO[C@H](CNS(C)(=O)=O)C4)ncn3)n2n1.CN1CCN(c2cc(-c3cnc4ccc(Cl)nn34)ccn2)CC1.Clc1ccc2ncc(-c3ccnc(N4CCOCC4)c3)n2n1.NS(=O)(=O)C1CCN(c2cc(-c3cnc4ccc(C(F)F)nn34)ncn2)C1.
What is the InChIKey of 4-[4-(6-chloroimidazo[1,2-b]pyridazin-3-yl)-2-pyridinyl]morpholine;6-chloro-3-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]imidazo[1,2-b]pyridazine;1-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]pyrrolidine-3-sulfonamide;N-[[(2S)-4-[6-(6-ethylimidazo[1,2-b]pyridazin-3-yl)pyrimidin-4-yl]morpholin-2-yl]methyl]methanesulfonamide;1-[4-[4-(6-methylimidazo[1,2-b]pyridazin-3-yl)-2-pyridinyl]piperazin-1-yl]ethanone?
The InChIKey is BLEYZNRKOQRGTK-WGVOJFRMSA-N. The full InChI is InChI=1S/C18H23N7O3S.C18H20N6O.C16H17ClN6.C15H14ClN5O.C15H15F2N7O2S/c1-3-13-4-5-17-19-10-16(25(17)23-13)15-8-18(21-12-20-15)24-6-7-28-14(11-24)9-22-29(2,26)27;1-13-3-4-17-20-12-16(24(17)21-13)15-5-6-19-18(11-15)23-9-7-22(8-10-23)14(2)25;1-21-6-8-22(9-7-21)16-10-12(4-5-18-16)13-11-19-15-3-2-14(17)20-23(13)15;16-13-1-2-14-18-10-12(21(14)19-13)11-3-4-17-15(9-11)20-5-7-22-8-6-20;16-15(17)10-1-2-13-19-6-12(24(13)22-10)11-5-14(21-8-20-11)23-4-3-9(7-23)27(18,25)26/h4-5,8,10,12,14,22H,3,6-7,9,11H2,1-2H3;3-6,11-12H,7-10H2,1-2H3;2-5,10-11H,6-9H2,1H3;1-4,9-10H,5-8H2;1-2,5-6,8-9,15H,3-4,7H2,(H2,18,25,26)/t14-;;;;/m1..../s1.
What are the key properties of 4-[4-(6-chloroimidazo[1,2-b]pyridazin-3-yl)-2-pyridinyl]morpholine;6-chloro-3-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]imidazo[1,2-b]pyridazine;1-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]pyrrolidine-3-sulfonamide;N-[[(2S)-4-[6-(6-ethylimidazo[1,2-b]pyridazin-3-yl)pyrimidin-4-yl]morpholin-2-yl]methyl]methanesulfonamide;1-[4-[4-(6-methylimidazo[1,2-b]pyridazin-3-yl)-2-pyridinyl]piperazin-1-yl]ethanone?
4-[4-(6-chloroimidazo[1,2-b]pyridazin-3-yl)-2-pyridinyl]morpholine;6-chloro-3-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]imidazo[1,2-b]pyridazine;1-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]pyrrolidine-3-sulfonamide;N-[[(2S)-4-[6-(6-ethylimidazo[1,2-b]pyridazin-3-yl)pyrimidin-4-yl]morpholin-2-yl]methyl]methanesulfonamide;1-[4-[4-(6-methylimidazo[1,2-b]pyridazin-3-yl)-2-pyridinyl]piperazin-1-yl]ethanone has a molecular weight of 1793.86 g/mol, XLogP of 7.74, 16 rotatable bonds, 2 hydrogen bond donors, and 35 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(6-chloroimidazo[1,2-b]pyridazin-3-yl)-2-pyridinyl]morpholine;6-chloro-3-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]imidazo[1,2-b]pyridazine;1-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]pyrrolidine-3-sulfonamide;N-[[(2S)-4-[6-(6-ethylimidazo[1,2-b]pyridazin-3-yl)pyrimidin-4-yl]morpholin-2-yl]methyl]methanesulfonamide;1-[4-[4-(6-methylimidazo[1,2-b]pyridazin-3-yl)-2-pyridinyl]piperazin-1-yl]ethanone is sourced from PubChem (CID 157383933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).