6-(difluoromethyl)-3-[6-[3-(ethylsulfonylmethyl)piperidin-1-yl]pyrimidin-4-yl]imidazo[1,2-b]pyridazine;N-[[1-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]-5-hydroxypiperidin-3-yl]methyl]-N-methylmethanesulfonamide;N-[[(2R,5S)-4-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]-5-methylmorpholin-2-yl]methyl]methanesulfonamide;N-[[(3S,6R)-1-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]-6-methylpiperidin-3-yl]methyl]methanesulfonamide;N-[[(3R,4R)-1-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]-4-methylpyrrolidin-3-yl]methyl]methanesulfonamide;1-[3-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]piperidin-1-yl]ethanone

C111H128F12N40O13S5 — CID 157422357

IUPAC6-(difluoromethyl)-3-[6-[3-(ethylsulfonylmethyl)piperidin-1-yl]pyrimidin-4-yl]imidazo[1,2-b]pyridazine;N-[[1-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]-5-hydroxypiperidin-3-yl]methyl]-N-methylmethanesulfonamide;N-[[(2R,5S)-4-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]-5-methylmorpholin-2-yl]methyl]methanesulfonamide;N-[[(3S,6R)-1-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]-6-methylpiperidin-3-yl]methyl]methanesulfonamide;N-[[(3R,4R)-1-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]-4-methylpyrrolidin-3-yl]methyl]methanesulfonamide;1-[3-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]piperidin-1-yl]ethanone
SMILESCC(=O)N1CCCC(c2cc(-c3cnc4ccc(C(F)F)nn34)ncn2)C1.CCS(=O)(=O)CC1CCCN(c2cc(-c3cnc4ccc(C(F)F)nn34)ncn2)C1.CN(CC1CC(O)CN(c2cc(-c3cnc4ccc(C(F)F)nn34)ncn2)C1)S(C)(=O)=O.C[C@@H]1CC[C@H](CNS(C)(=O)=O)CN1c1cc(-c2cnc3ccc(C(F)F)nn23)ncn1.C[C@H]1CN(c2cc(-c3cnc4ccc(C(F)F)nn34)ncn2)C[C@@H]1CNS(C)(=O)=O.C[C@H]1CO[C@@H](CNS(C)(=O)=O)CN1c1cc(-c2cnc3ccc(C(F)F)nn23)ncn1
InChIInChI=1S/C19H23F2N7O3S.C19H23F2N7O2S.C19H22F2N6O2S.C18H21F2N7O3S.C18H21F2N7O2S.C18H18F2N6O/c1-26(32(2,30)31)8-12-5-13(29)10-27(9-12)18-6-15(23-11-24-18)16-7-22-17-4-3-14(19(20)21)25-28(16)17;1-12-3-4-13(8-25-31(2,29)30)10-27(12)18-7-15(23-11-24-18)16-9-22-17-6-5-14(19(20)21)26-28(16)17;1-2-30(28,29)11-13-4-3-7-26(10-13)18-8-15(23-12-24-18)16-9-22-17-6-5-14(19(20)21)25-27(16)17;1-11-9-30-12(6-24-31(2,28)29)8-26(11)17-5-14(22-10-23-17)15-7-21-16-4-3-13(18(19)20)25-27(15)16;1-11-8-26(9-12(11)6-24-30(2,28)29)17-5-14(22-10-23-17)15-7-21-16-4-3-13(18(19)20)25-27(15)16;1-11(27)25-6-2-3-12(9-25)14-7-15(23-10-22-14)16-8-21-17-5-4-13(18(19)20)24-26(16)17/h3-4,6-7,11-13,19,29H,5,8-10H2,1-2H3;5-7,9,11-13,19,25H,3-4,8,10H2,1-2H3;5-6,8-9,12-13,19H,2-4,7,10-11H2,1H3;3-5,7,10-12,18,24H,6,8-9H2,1-2H3;3-5,7,10-12,18,24H,6,8-9H2,1-2H3;4-5,7-8,10,12,18H,2-3,6,9H2,1H3/t;12-,13-;;2*11-,12-;/m.1.00./s1
InChIKeyBPOFGTVAHFRJGZ-YRDZVWRUSA-N
MW2618.82 g/mol
LogP12.12
Rot. Bonds33

About 6-(difluoromethyl)-3-[6-[3-(ethylsulfonylmethyl)piperidin-1-yl]pyrimidin-4-yl]imidazo[1,2-b]pyridazine;N-[[1-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]-5-hydroxypiperidin-3-yl]methyl]-N-methylmethanesulfonamide;N-[[(2R,5S)-4-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]-5-methylmorpholin-2-yl]methyl]methanesulfonamide;N-[[(3S,6R)-1-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]-6-methylpiperidin-3-yl]methyl]methanesulfonamide;N-[[(3R,4R)-1-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]-4-methylpyrrolidin-3-yl]methyl]methanesulfonamide;1-[3-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]piperidin-1-yl]ethanone

6-(difluoromethyl)-3-[6-[3-(ethylsulfonylmethyl)piperidin-1-yl]pyrimidin-4-yl]imidazo[1,2-b]pyridazine;N-[[1-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]-5-hydroxypiperidin-3-yl]methyl]-N-methylmethanesulfonamide;N-[[(2R,5S)-4-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]-5-methylmorpholin-2-yl]methyl]methanesulfonamide;N-[[(3S,6R)-1-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]-6-methylpiperidin-3-yl]methyl]methanesulfonamide;N-[[(3R,4R)-1-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]-4-methylpyrrolidin-3-yl]methyl]methanesulfonamide;1-[3-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]piperidin-1-yl]ethanone (PubChem CID 157422357) has the molecular formula C111H128F12N40O13S5 and a molecular weight of 2618.82 g/mol. Its IUPAC name is 6-(difluoromethyl)-3-[6-[3-(ethylsulfonylmethyl)piperidin-1-yl]pyrimidin-4-yl]imidazo[1,2-b]pyridazine;N-[[1-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]-5-hydroxypiperidin-3-yl]methyl]-N-methylmethanesulfonamide;N-[[(2R,5S)-4-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]-5-methylmorpholin-2-yl]methyl]methanesulfonamide;N-[[(3S,6R)-1-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]-6-methylpiperidin-3-yl]methyl]methanesulfonamide;N-[[(3R,4R)-1-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]-4-methylpyrrolidin-3-yl]methyl]methanesulfonamide;1-[3-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]piperidin-1-yl]ethanone.

Molecular Properties

Compound Name6-(difluoromethyl)-3-[6-[3-(ethylsulfonylmethyl)piperidin-1-yl]pyrimidin-4-yl]imidazo[1,2-b]pyridazine;N-[[1-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]-5-hydroxypiperidin-3-yl]methyl]-N-methylmethanesulfonamide;N-[[(2R,5S)-4-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]-5-methylmorpholin-2-yl]methyl]methanesulfonamide;N-[[(3S,6R)-1-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]-6-methylpiperidin-3-yl]methyl]methanesulfonamide;N-[[(3R,4R)-1-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]-4-methylpyrrolidin-3-yl]methyl]methanesulfonamide;1-[3-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]piperidin-1-yl]ethanone
PubChem CID157422357
Molecular FormulaC111H128F12N40O13S5
Molecular Weight2618.82 g/mol
Exact Mass2616.90
IUPAC Name6-(difluoromethyl)-3-[6-[3-(ethylsulfonylmethyl)piperidin-1-yl]pyrimidin-4-yl]imidazo[1,2-b]pyridazine;N-[[1-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]-5-hydroxypiperidin-3-yl]methyl]-N-methylmethanesulfonamide;N-[[(2R,5S)-4-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]-5-methylmorpholin-2-yl]methyl]methanesulfonamide;N-[[(3S,6R)-1-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]-6-methylpiperidin-3-yl]methyl]methanesulfonamide;N-[[(3R,4R)-1-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]-4-methylpyrrolidin-3-yl]methyl]methanesulfonamide;1-[3-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]piperidin-1-yl]ethanone
SMILESCC(=O)N1CCCC(c2cc(-c3cnc4ccc(C(F)F)nn34)ncn2)C1.CCS(=O)(=O)CC1CCCN(c2cc(-c3cnc4ccc(C(F)F)nn34)ncn2)C1.CN(CC1CC(O)CN(c2cc(-c3cnc4ccc(C(F)F)nn34)ncn2)C1)S(C)(=O)=O.C[C@@H]1CC[C@H](CNS(C)(=O)=O)CN1c1cc(-c2cnc3ccc(C(F)F)nn23)ncn1.C[C@H]1CN(c2cc(-c3cnc4ccc(C(F)F)nn34)ncn2)C[C@@H]1CNS(C)(=O)=O.C[C@H]1CO[C@@H](CNS(C)(=O)=O)CN1c1cc(-c2cnc3ccc(C(F)F)nn23)ncn1
InChIInChI=1S/C19H23F2N7O3S.C19H23F2N7O2S.C19H22F2N6O2S.C18H21F2N7O3S.C18H21F2N7O2S.C18H18F2N6O/c1-26(32(2,30)31)8-12-5-13(29)10-27(9-12)18-6-15(23-11-24-18)16-7-22-17-4-3-14(19(20)21)25-28(16)17;1-12-3-4-13(8-25-31(2,29)30)10-27(12)18-7-15(23-11-24-18)16-9-22-17-6-5-14(19(20)21)26-28(16)17;1-2-30(28,29)11-13-4-3-7-26(10-13)18-8-15(23-12-24-18)16-9-22-17-6-5-14(19(20)21)25-27(16)17;1-11-9-30-12(6-24-31(2,28)29)8-26(11)17-5-14(22-10-23-17)15-7-21-16-4-3-13(18(19)20)25-27(15)16;1-11-8-26(9-12(11)6-24-30(2,28)29)17-5-14(22-10-23-17)15-7-21-16-4-3-13(18(19)20)25-27(15)16;1-11(27)25-6-2-3-12(9-25)14-7-15(23-10-22-14)16-8-21-17-5-4-13(18(19)20)24-26(16)17/h3-4,6-7,11-13,19,29H,5,8-10H2,1-2H3;5-7,9,11-13,19,25H,3-4,8,10H2,1-2H3;5-6,8-9,12-13,19H,2-4,7,10-11H2,1H3;3-5,7,10-12,18,24H,6,8-9H2,1-2H3;3-5,7,10-12,18,24H,6,8-9H2,1-2H3;4-5,7-8,10,12,18H,2-3,6,9H2,1H3/t;12-,13-;;2*11-,12-;/m.1.00./s1
InChIKeyBPOFGTVAHFRJGZ-YRDZVWRUSA-N
XLogP12.12
TPSA611.82 Ų
H-Bond Donors4
H-Bond Acceptors48
Rotatable Bonds33
Heavy Atoms181
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002618.82
LogP ≤ 512.12
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1048

Analyze 6-(difluoromethyl)-3-[6-[3-(ethylsulfonylmethyl)piperidin-1-yl]pyrimidin-4-yl]imidazo[1,2-b]pyridazine;N-[[1-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]-5-hydroxypiperidin-3-yl]methyl]-N-methylmethanesulfonamide;N-[[(2R,5S)-4-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]-5-methylmorpholin-2-yl]methyl]methanesulfonamide;N-[[(3S,6R)-1-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]-6-methylpiperidin-3-yl]methyl]methanesulfonamide;N-[[(3R,4R)-1-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]-4-methylpyrrolidin-3-yl]methyl]methanesulfonamide;1-[3-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]piperidin-1-yl]ethanone with MolForge

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Frequently Asked Questions

What is the IUPAC name of 6-(difluoromethyl)-3-[6-[3-(ethylsulfonylmethyl)piperidin-1-yl]pyrimidin-4-yl]imidazo[1,2-b]pyridazine;N-[[1-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]-5-hydroxypiperidin-3-yl]methyl]-N-methylmethanesulfonamide;N-[[(2R,5S)-4-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]-5-methylmorpholin-2-yl]methyl]methanesulfonamide;N-[[(3S,6R)-1-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]-6-methylpiperidin-3-yl]methyl]methanesulfonamide;N-[[(3R,4R)-1-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]-4-methylpyrrolidin-3-yl]methyl]methanesulfonamide;1-[3-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]piperidin-1-yl]ethanone?
The IUPAC name of 6-(difluoromethyl)-3-[6-[3-(ethylsulfonylmethyl)piperidin-1-yl]pyrimidin-4-yl]imidazo[1,2-b]pyridazine;N-[[1-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]-5-hydroxypiperidin-3-yl]methyl]-N-methylmethanesulfonamide;N-[[(2R,5S)-4-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]-5-methylmorpholin-2-yl]methyl]methanesulfonamide;N-[[(3S,6R)-1-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]-6-methylpiperidin-3-yl]methyl]methanesulfonamide;N-[[(3R,4R)-1-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]-4-methylpyrrolidin-3-yl]methyl]methanesulfonamide;1-[3-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]piperidin-1-yl]ethanone (CID 157422357) is 6-(difluoromethyl)-3-[6-[3-(ethylsulfonylmethyl)piperidin-1-yl]pyrimidin-4-yl]imidazo[1,2-b]pyridazine;N-[[1-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]-5-hydroxypiperidin-3-yl]methyl]-N-methylmethanesulfonamide;N-[[(2R,5S)-4-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]-5-methylmorpholin-2-yl]methyl]methanesulfonamide;N-[[(3S,6R)-1-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]-6-methylpiperidin-3-yl]methyl]methanesulfonamide;N-[[(3R,4R)-1-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]-4-methylpyrrolidin-3-yl]methyl]methanesulfonamide;1-[3-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]piperidin-1-yl]ethanone.
What is the SMILES notation for 6-(difluoromethyl)-3-[6-[3-(ethylsulfonylmethyl)piperidin-1-yl]pyrimidin-4-yl]imidazo[1,2-b]pyridazine;N-[[1-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]-5-hydroxypiperidin-3-yl]methyl]-N-methylmethanesulfonamide;N-[[(2R,5S)-4-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]-5-methylmorpholin-2-yl]methyl]methanesulfonamide;N-[[(3S,6R)-1-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]-6-methylpiperidin-3-yl]methyl]methanesulfonamide;N-[[(3R,4R)-1-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]-4-methylpyrrolidin-3-yl]methyl]methanesulfonamide;1-[3-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]piperidin-1-yl]ethanone?
The canonical SMILES for 6-(difluoromethyl)-3-[6-[3-(ethylsulfonylmethyl)piperidin-1-yl]pyrimidin-4-yl]imidazo[1,2-b]pyridazine;N-[[1-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]-5-hydroxypiperidin-3-yl]methyl]-N-methylmethanesulfonamide;N-[[(2R,5S)-4-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]-5-methylmorpholin-2-yl]methyl]methanesulfonamide;N-[[(3S,6R)-1-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]-6-methylpiperidin-3-yl]methyl]methanesulfonamide;N-[[(3R,4R)-1-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]-4-methylpyrrolidin-3-yl]methyl]methanesulfonamide;1-[3-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]piperidin-1-yl]ethanone is CC(=O)N1CCCC(c2cc(-c3cnc4ccc(C(F)F)nn34)ncn2)C1.CCS(=O)(=O)CC1CCCN(c2cc(-c3cnc4ccc(C(F)F)nn34)ncn2)C1.CN(CC1CC(O)CN(c2cc(-c3cnc4ccc(C(F)F)nn34)ncn2)C1)S(C)(=O)=O.C[C@@H]1CC[C@H](CNS(C)(=O)=O)CN1c1cc(-c2cnc3ccc(C(F)F)nn23)ncn1.C[C@H]1CN(c2cc(-c3cnc4ccc(C(F)F)nn34)ncn2)C[C@@H]1CNS(C)(=O)=O.C[C@H]1CO[C@@H](CNS(C)(=O)=O)CN1c1cc(-c2cnc3ccc(C(F)F)nn23)ncn1.
What is the InChIKey of 6-(difluoromethyl)-3-[6-[3-(ethylsulfonylmethyl)piperidin-1-yl]pyrimidin-4-yl]imidazo[1,2-b]pyridazine;N-[[1-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]-5-hydroxypiperidin-3-yl]methyl]-N-methylmethanesulfonamide;N-[[(2R,5S)-4-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]-5-methylmorpholin-2-yl]methyl]methanesulfonamide;N-[[(3S,6R)-1-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]-6-methylpiperidin-3-yl]methyl]methanesulfonamide;N-[[(3R,4R)-1-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]-4-methylpyrrolidin-3-yl]methyl]methanesulfonamide;1-[3-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]piperidin-1-yl]ethanone?
The InChIKey is BPOFGTVAHFRJGZ-YRDZVWRUSA-N. The full InChI is InChI=1S/C19H23F2N7O3S.C19H23F2N7O2S.C19H22F2N6O2S.C18H21F2N7O3S.C18H21F2N7O2S.C18H18F2N6O/c1-26(32(2,30)31)8-12-5-13(29)10-27(9-12)18-6-15(23-11-24-18)16-7-22-17-4-3-14(19(20)21)25-28(16)17;1-12-3-4-13(8-25-31(2,29)30)10-27(12)18-7-15(23-11-24-18)16-9-22-17-6-5-14(19(20)21)26-28(16)17;1-2-30(28,29)11-13-4-3-7-26(10-13)18-8-15(23-12-24-18)16-9-22-17-6-5-14(19(20)21)25-27(16)17;1-11-9-30-12(6-24-31(2,28)29)8-26(11)17-5-14(22-10-23-17)15-7-21-16-4-3-13(18(19)20)25-27(15)16;1-11-8-26(9-12(11)6-24-30(2,28)29)17-5-14(22-10-23-17)15-7-21-16-4-3-13(18(19)20)25-27(15)16;1-11(27)25-6-2-3-12(9-25)14-7-15(23-10-22-14)16-8-21-17-5-4-13(18(19)20)24-26(16)17/h3-4,6-7,11-13,19,29H,5,8-10H2,1-2H3;5-7,9,11-13,19,25H,3-4,8,10H2,1-2H3;5-6,8-9,12-13,19H,2-4,7,10-11H2,1H3;3-5,7,10-12,18,24H,6,8-9H2,1-2H3;3-5,7,10-12,18,24H,6,8-9H2,1-2H3;4-5,7-8,10,12,18H,2-3,6,9H2,1H3/t;12-,13-;;2*11-,12-;/m.1.00./s1.
What are the key properties of 6-(difluoromethyl)-3-[6-[3-(ethylsulfonylmethyl)piperidin-1-yl]pyrimidin-4-yl]imidazo[1,2-b]pyridazine;N-[[1-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]-5-hydroxypiperidin-3-yl]methyl]-N-methylmethanesulfonamide;N-[[(2R,5S)-4-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]-5-methylmorpholin-2-yl]methyl]methanesulfonamide;N-[[(3S,6R)-1-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]-6-methylpiperidin-3-yl]methyl]methanesulfonamide;N-[[(3R,4R)-1-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]-4-methylpyrrolidin-3-yl]methyl]methanesulfonamide;1-[3-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]piperidin-1-yl]ethanone?
6-(difluoromethyl)-3-[6-[3-(ethylsulfonylmethyl)piperidin-1-yl]pyrimidin-4-yl]imidazo[1,2-b]pyridazine;N-[[1-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]-5-hydroxypiperidin-3-yl]methyl]-N-methylmethanesulfonamide;N-[[(2R,5S)-4-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]-5-methylmorpholin-2-yl]methyl]methanesulfonamide;N-[[(3S,6R)-1-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]-6-methylpiperidin-3-yl]methyl]methanesulfonamide;N-[[(3R,4R)-1-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]-4-methylpyrrolidin-3-yl]methyl]methanesulfonamide;1-[3-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]piperidin-1-yl]ethanone has a molecular weight of 2618.82 g/mol, XLogP of 12.12, 33 rotatable bonds, 4 hydrogen bond donors, and 48 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(difluoromethyl)-3-[6-[3-(ethylsulfonylmethyl)piperidin-1-yl]pyrimidin-4-yl]imidazo[1,2-b]pyridazine;N-[[1-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]-5-hydroxypiperidin-3-yl]methyl]-N-methylmethanesulfonamide;N-[[(2R,5S)-4-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]-5-methylmorpholin-2-yl]methyl]methanesulfonamide;N-[[(3S,6R)-1-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]-6-methylpiperidin-3-yl]methyl]methanesulfonamide;N-[[(3R,4R)-1-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]-4-methylpyrrolidin-3-yl]methyl]methanesulfonamide;1-[3-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]piperidin-1-yl]ethanone is sourced from PubChem (CID 157422357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).