4-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]-1-methylpiperazine-2-carboxamide;1-[(2S)-4-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]piperazin-2-yl]cyclopropan-1-ol;N-[[4-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]piperazin-2-yl]methyl]methanesulfonamide;N-[1-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]piperidin-3-yl]-N-methylmethanesulfonamide;N-[[4-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]-1,3,6-trimethylpiperazin-2-yl]methyl]methanesulfonamide;6-(difluoromethyl)-3-[6-[(3R,5S)-3-methyl-5-(methylsulfonylmethyl)piperidin-1-yl]pyrimidin-4-yl]imidazo[1,2-b]pyridazine

C109H126F12N44O10S4 — CID 159323399

IUPAC4-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]-1-methylpiperazine-2-carboxamide;1-[(2S)-4-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]piperazin-2-yl]cyclopropan-1-ol;N-[[4-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]piperazin-2-yl]methyl]methanesulfonamide;N-[1-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]piperidin-3-yl]-N-methylmethanesulfonamide;N-[[4-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]-1,3,6-trimethylpiperazin-2-yl]methyl]methanesulfonamide;6-(difluoromethyl)-3-[6-[(3R,5S)-3-methyl-5-(methylsulfonylmethyl)piperidin-1-yl]pyrimidin-4-yl]imidazo[1,2-b]pyridazine
SMILESCC1C(CNS(C)(=O)=O)N(C)C(C)CN1c1cc(-c2cnc3ccc(C(F)F)nn23)ncn1.CN(C1CCCN(c2cc(-c3cnc4ccc(C(F)F)nn34)ncn2)C1)S(C)(=O)=O.CN1CCN(c2cc(-c3cnc4ccc(C(F)F)nn34)ncn2)CC1C(N)=O.CS(=O)(=O)NCC1CN(c2cc(-c3cnc4ccc(C(F)F)nn34)ncn2)CCN1.C[C@@H]1C[C@H](CS(C)(=O)=O)CN(c2cc(-c3cnc4ccc(C(F)F)nn34)ncn2)C1.OC1([C@@H]2CN(c3cc(-c4cnc5ccc(C(F)F)nn45)ncn3)CCN2)CC1
InChIInChI=1S/C20H26F2N8O2S.C19H22F2N6O2S.C18H21F2N7O2S.C18H19F2N7O.C17H20F2N8O2S.C17H18F2N8O/c1-12-10-29(13(2)16(28(12)3)9-26-33(4,31)32)19-7-15(24-11-25-19)17-8-23-18-6-5-14(20(21)22)27-30(17)18;1-12-5-13(10-30(2,28)29)9-26(8-12)18-6-15(23-11-24-18)16-7-22-17-4-3-14(19(20)21)25-27(16)17;1-25(30(2,28)29)12-4-3-7-26(10-12)17-8-14(22-11-23-17)15-9-21-16-6-5-13(18(19)20)24-27(15)16;19-17(20)11-1-2-15-22-8-13(27(15)25-11)12-7-16(24-10-23-12)26-6-5-21-14(9-26)18(28)3-4-18;1-30(28,29)24-7-11-9-26(5-4-20-11)16-6-13(22-10-23-16)14-8-21-15-3-2-12(17(18)19)25-27(14)15;1-25-4-5-26(8-13(25)17(20)28)15-6-11(22-9-23-15)12-7-21-14-3-2-10(16(18)19)24-27(12)14/h5-8,11-13,16,20,26H,9-10H2,1-4H3;3-4,6-7,11-13,19H,5,8-10H2,1-2H3;5-6,8-9,11-12,18H,3-4,7,10H2,1-2H3;1-2,7-8,10,14,17,21,28H,3-6,9H2;2-3,6,8,10-11,17,20,24H,4-5,7,9H2,1H3;2-3,6-7,9,13,16H,4-5,8H2,1H3,(H2,20,28)/t;12-,13+;;14-;;/m.1.0../s1
InChIKeyLEAZECSIHNKRHK-FKEOQXOJSA-N
MW2568.75 g/mol
LogP8.79
Rot. Bonds30

About 4-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]-1-methylpiperazine-2-carboxamide;1-[(2S)-4-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]piperazin-2-yl]cyclopropan-1-ol;N-[[4-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]piperazin-2-yl]methyl]methanesulfonamide;N-[1-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]piperidin-3-yl]-N-methylmethanesulfonamide;N-[[4-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]-1,3,6-trimethylpiperazin-2-yl]methyl]methanesulfonamide;6-(difluoromethyl)-3-[6-[(3R,5S)-3-methyl-5-(methylsulfonylmethyl)piperidin-1-yl]pyrimidin-4-yl]imidazo[1,2-b]pyridazine

4-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]-1-methylpiperazine-2-carboxamide;1-[(2S)-4-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]piperazin-2-yl]cyclopropan-1-ol;N-[[4-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]piperazin-2-yl]methyl]methanesulfonamide;N-[1-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]piperidin-3-yl]-N-methylmethanesulfonamide;N-[[4-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]-1,3,6-trimethylpiperazin-2-yl]methyl]methanesulfonamide;6-(difluoromethyl)-3-[6-[(3R,5S)-3-methyl-5-(methylsulfonylmethyl)piperidin-1-yl]pyrimidin-4-yl]imidazo[1,2-b]pyridazine (PubChem CID 159323399) has the molecular formula C109H126F12N44O10S4 and a molecular weight of 2568.75 g/mol. Its IUPAC name is 4-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]-1-methylpiperazine-2-carboxamide;1-[(2S)-4-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]piperazin-2-yl]cyclopropan-1-ol;N-[[4-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]piperazin-2-yl]methyl]methanesulfonamide;N-[1-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]piperidin-3-yl]-N-methylmethanesulfonamide;N-[[4-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]-1,3,6-trimethylpiperazin-2-yl]methyl]methanesulfonamide;6-(difluoromethyl)-3-[6-[(3R,5S)-3-methyl-5-(methylsulfonylmethyl)piperidin-1-yl]pyrimidin-4-yl]imidazo[1,2-b]pyridazine.

Molecular Properties

Compound Name4-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]-1-methylpiperazine-2-carboxamide;1-[(2S)-4-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]piperazin-2-yl]cyclopropan-1-ol;N-[[4-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]piperazin-2-yl]methyl]methanesulfonamide;N-[1-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]piperidin-3-yl]-N-methylmethanesulfonamide;N-[[4-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]-1,3,6-trimethylpiperazin-2-yl]methyl]methanesulfonamide;6-(difluoromethyl)-3-[6-[(3R,5S)-3-methyl-5-(methylsulfonylmethyl)piperidin-1-yl]pyrimidin-4-yl]imidazo[1,2-b]pyridazine
PubChem CID159323399
Molecular FormulaC109H126F12N44O10S4
Molecular Weight2568.75 g/mol
Exact Mass2566.94
IUPAC Name4-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]-1-methylpiperazine-2-carboxamide;1-[(2S)-4-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]piperazin-2-yl]cyclopropan-1-ol;N-[[4-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]piperazin-2-yl]methyl]methanesulfonamide;N-[1-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]piperidin-3-yl]-N-methylmethanesulfonamide;N-[[4-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]-1,3,6-trimethylpiperazin-2-yl]methyl]methanesulfonamide;6-(difluoromethyl)-3-[6-[(3R,5S)-3-methyl-5-(methylsulfonylmethyl)piperidin-1-yl]pyrimidin-4-yl]imidazo[1,2-b]pyridazine
SMILESCC1C(CNS(C)(=O)=O)N(C)C(C)CN1c1cc(-c2cnc3ccc(C(F)F)nn23)ncn1.CN(C1CCCN(c2cc(-c3cnc4ccc(C(F)F)nn34)ncn2)C1)S(C)(=O)=O.CN1CCN(c2cc(-c3cnc4ccc(C(F)F)nn34)ncn2)CC1C(N)=O.CS(=O)(=O)NCC1CN(c2cc(-c3cnc4ccc(C(F)F)nn34)ncn2)CCN1.C[C@@H]1C[C@H](CS(C)(=O)=O)CN(c2cc(-c3cnc4ccc(C(F)F)nn34)ncn2)C1.OC1([C@@H]2CN(c3cc(-c4cnc5ccc(C(F)F)nn45)ncn3)CCN2)CC1
InChIInChI=1S/C20H26F2N8O2S.C19H22F2N6O2S.C18H21F2N7O2S.C18H19F2N7O.C17H20F2N8O2S.C17H18F2N8O/c1-12-10-29(13(2)16(28(12)3)9-26-33(4,31)32)19-7-15(24-11-25-19)17-8-23-18-6-5-14(20(21)22)27-30(17)18;1-12-5-13(10-30(2,28)29)9-26(8-12)18-6-15(23-11-24-18)16-7-22-17-4-3-14(19(20)21)25-27(16)17;1-25(30(2,28)29)12-4-3-7-26(10-12)17-8-14(22-11-23-17)15-9-21-16-6-5-13(18(19)20)24-27(15)16;19-17(20)11-1-2-15-22-8-13(27(15)25-11)12-7-16(24-10-23-12)26-6-5-21-14(9-26)18(28)3-4-18;1-30(28,29)24-7-11-9-26(5-4-20-11)16-6-13(22-10-23-16)14-8-21-15-3-2-12(17(18)19)25-27(14)15;1-25-4-5-26(8-13(25)17(20)28)15-6-11(22-9-23-15)12-7-21-14-3-2-10(16(18)19)24-27(12)14/h5-8,11-13,16,20,26H,9-10H2,1-4H3;3-4,6-7,11-13,19H,5,8-10H2,1-2H3;5-6,8-9,11-12,18H,3-4,7,10H2,1-2H3;1-2,7-8,10,14,17,21,28H,3-6,9H2;2-3,6,8,10-11,17,20,24H,4-5,7,9H2,1H3;2-3,6-7,9,13,16H,4-5,8H2,1H3,(H2,20,28)/t;12-,13+;;14-;;/m.1.0../s1
InChIKeyLEAZECSIHNKRHK-FKEOQXOJSA-N
XLogP8.79
TPSA612.98 Ų
H-Bond Donors6
H-Bond Acceptors50
Rotatable Bonds30
Heavy Atoms179
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002568.75
LogP ≤ 58.79
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1050

Analyze 4-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]-1-methylpiperazine-2-carboxamide;1-[(2S)-4-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]piperazin-2-yl]cyclopropan-1-ol;N-[[4-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]piperazin-2-yl]methyl]methanesulfonamide;N-[1-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]piperidin-3-yl]-N-methylmethanesulfonamide;N-[[4-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]-1,3,6-trimethylpiperazin-2-yl]methyl]methanesulfonamide;6-(difluoromethyl)-3-[6-[(3R,5S)-3-methyl-5-(methylsulfonylmethyl)piperidin-1-yl]pyrimidin-4-yl]imidazo[1,2-b]pyridazine with MolForge

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Related Compounds

N-[[4-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]piperazin-2-yl]methyl]methanesulfonamide
CID 139359352
N-[[4-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]-1,3-dimethylpiperazin-2-yl]methyl]methanesulfonamide;N-[[(2S,6R)-4-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]-6-methylmorpholin-2-yl]methyl]methanesulfonamide;N-[[4-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]-3-methylpiperazin-2-yl]methyl]methanesulfonamide;N-[[1-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]piperidin-3-yl]methyl]-N-methylmethanesulfonamide;6-(difluoromethyl)-3-[6-[3-[[methyl(sulfamoyl)amino]methyl]piperidin-1-yl]pyrimidin-4-yl]imidazo[1,2-b]pyridazine;6-(difluoromethyl)-3-(6-piperidin-1-ylpyrimidin-4-yl)imidazo[1,2-b]pyridazine
CID 159950082
N-[[1-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]-2-methylpyrrolidin-3-yl]methyl]methanesulfonamide
CID 139358279
6-(difluoromethyl)-3-[6-[3-(ethylsulfonylmethyl)piperidin-1-yl]pyrimidin-4-yl]imidazo[1,2-b]pyridazine
CID 146887524
N-[[1-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]piperidin-3-yl]methyl]oxetane-3-sulfonamide
CID 139357557
N-[[(3S,5S)-1-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]-4,4-difluoro-5-methylpiperidin-3-yl]methyl]methanesulfonamide
CID 139343828
N-[[1-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]piperidin-3-yl]methyl]cyclopropanecarboxamide
CID 139359424
N-[[1-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]-5-isocyanopiperidin-3-yl]methyl]methanesulfonamide
CID 153418410
1-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]piperidine-3-carboxamide
CID 139359592
N-[[1-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]-3-hydroxypiperidin-3-yl]methyl]methanesulfonamide
CID 139359428
N-[[(7S,8aS)-2-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]-7-fluoro-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-4-yl]methyl]methanesulfonamide
CID 139359463
N-[[4-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]morpholin-2-yl]methyl]methanesulfonamide
CID 153418464

Frequently Asked Questions

What is the IUPAC name of 4-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]-1-methylpiperazine-2-carboxamide;1-[(2S)-4-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]piperazin-2-yl]cyclopropan-1-ol;N-[[4-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]piperazin-2-yl]methyl]methanesulfonamide;N-[1-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]piperidin-3-yl]-N-methylmethanesulfonamide;N-[[4-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]-1,3,6-trimethylpiperazin-2-yl]methyl]methanesulfonamide;6-(difluoromethyl)-3-[6-[(3R,5S)-3-methyl-5-(methylsulfonylmethyl)piperidin-1-yl]pyrimidin-4-yl]imidazo[1,2-b]pyridazine?
The IUPAC name of 4-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]-1-methylpiperazine-2-carboxamide;1-[(2S)-4-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]piperazin-2-yl]cyclopropan-1-ol;N-[[4-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]piperazin-2-yl]methyl]methanesulfonamide;N-[1-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]piperidin-3-yl]-N-methylmethanesulfonamide;N-[[4-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]-1,3,6-trimethylpiperazin-2-yl]methyl]methanesulfonamide;6-(difluoromethyl)-3-[6-[(3R,5S)-3-methyl-5-(methylsulfonylmethyl)piperidin-1-yl]pyrimidin-4-yl]imidazo[1,2-b]pyridazine (CID 159323399) is 4-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]-1-methylpiperazine-2-carboxamide;1-[(2S)-4-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]piperazin-2-yl]cyclopropan-1-ol;N-[[4-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]piperazin-2-yl]methyl]methanesulfonamide;N-[1-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]piperidin-3-yl]-N-methylmethanesulfonamide;N-[[4-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]-1,3,6-trimethylpiperazin-2-yl]methyl]methanesulfonamide;6-(difluoromethyl)-3-[6-[(3R,5S)-3-methyl-5-(methylsulfonylmethyl)piperidin-1-yl]pyrimidin-4-yl]imidazo[1,2-b]pyridazine.
What is the SMILES notation for 4-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]-1-methylpiperazine-2-carboxamide;1-[(2S)-4-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]piperazin-2-yl]cyclopropan-1-ol;N-[[4-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]piperazin-2-yl]methyl]methanesulfonamide;N-[1-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]piperidin-3-yl]-N-methylmethanesulfonamide;N-[[4-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]-1,3,6-trimethylpiperazin-2-yl]methyl]methanesulfonamide;6-(difluoromethyl)-3-[6-[(3R,5S)-3-methyl-5-(methylsulfonylmethyl)piperidin-1-yl]pyrimidin-4-yl]imidazo[1,2-b]pyridazine?
The canonical SMILES for 4-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]-1-methylpiperazine-2-carboxamide;1-[(2S)-4-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]piperazin-2-yl]cyclopropan-1-ol;N-[[4-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]piperazin-2-yl]methyl]methanesulfonamide;N-[1-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]piperidin-3-yl]-N-methylmethanesulfonamide;N-[[4-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]-1,3,6-trimethylpiperazin-2-yl]methyl]methanesulfonamide;6-(difluoromethyl)-3-[6-[(3R,5S)-3-methyl-5-(methylsulfonylmethyl)piperidin-1-yl]pyrimidin-4-yl]imidazo[1,2-b]pyridazine is CC1C(CNS(C)(=O)=O)N(C)C(C)CN1c1cc(-c2cnc3ccc(C(F)F)nn23)ncn1.CN(C1CCCN(c2cc(-c3cnc4ccc(C(F)F)nn34)ncn2)C1)S(C)(=O)=O.CN1CCN(c2cc(-c3cnc4ccc(C(F)F)nn34)ncn2)CC1C(N)=O.CS(=O)(=O)NCC1CN(c2cc(-c3cnc4ccc(C(F)F)nn34)ncn2)CCN1.C[C@@H]1C[C@H](CS(C)(=O)=O)CN(c2cc(-c3cnc4ccc(C(F)F)nn34)ncn2)C1.OC1([C@@H]2CN(c3cc(-c4cnc5ccc(C(F)F)nn45)ncn3)CCN2)CC1.
What is the InChIKey of 4-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]-1-methylpiperazine-2-carboxamide;1-[(2S)-4-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]piperazin-2-yl]cyclopropan-1-ol;N-[[4-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]piperazin-2-yl]methyl]methanesulfonamide;N-[1-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]piperidin-3-yl]-N-methylmethanesulfonamide;N-[[4-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]-1,3,6-trimethylpiperazin-2-yl]methyl]methanesulfonamide;6-(difluoromethyl)-3-[6-[(3R,5S)-3-methyl-5-(methylsulfonylmethyl)piperidin-1-yl]pyrimidin-4-yl]imidazo[1,2-b]pyridazine?
The InChIKey is LEAZECSIHNKRHK-FKEOQXOJSA-N. The full InChI is InChI=1S/C20H26F2N8O2S.C19H22F2N6O2S.C18H21F2N7O2S.C18H19F2N7O.C17H20F2N8O2S.C17H18F2N8O/c1-12-10-29(13(2)16(28(12)3)9-26-33(4,31)32)19-7-15(24-11-25-19)17-8-23-18-6-5-14(20(21)22)27-30(17)18;1-12-5-13(10-30(2,28)29)9-26(8-12)18-6-15(23-11-24-18)16-7-22-17-4-3-14(19(20)21)25-27(16)17;1-25(30(2,28)29)12-4-3-7-26(10-12)17-8-14(22-11-23-17)15-9-21-16-6-5-13(18(19)20)24-27(15)16;19-17(20)11-1-2-15-22-8-13(27(15)25-11)12-7-16(24-10-23-12)26-6-5-21-14(9-26)18(28)3-4-18;1-30(28,29)24-7-11-9-26(5-4-20-11)16-6-13(22-10-23-16)14-8-21-15-3-2-12(17(18)19)25-27(14)15;1-25-4-5-26(8-13(25)17(20)28)15-6-11(22-9-23-15)12-7-21-14-3-2-10(16(18)19)24-27(12)14/h5-8,11-13,16,20,26H,9-10H2,1-4H3;3-4,6-7,11-13,19H,5,8-10H2,1-2H3;5-6,8-9,11-12,18H,3-4,7,10H2,1-2H3;1-2,7-8,10,14,17,21,28H,3-6,9H2;2-3,6,8,10-11,17,20,24H,4-5,7,9H2,1H3;2-3,6-7,9,13,16H,4-5,8H2,1H3,(H2,20,28)/t;12-,13+;;14-;;/m.1.0../s1.
What are the key properties of 4-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]-1-methylpiperazine-2-carboxamide;1-[(2S)-4-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]piperazin-2-yl]cyclopropan-1-ol;N-[[4-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]piperazin-2-yl]methyl]methanesulfonamide;N-[1-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]piperidin-3-yl]-N-methylmethanesulfonamide;N-[[4-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]-1,3,6-trimethylpiperazin-2-yl]methyl]methanesulfonamide;6-(difluoromethyl)-3-[6-[(3R,5S)-3-methyl-5-(methylsulfonylmethyl)piperidin-1-yl]pyrimidin-4-yl]imidazo[1,2-b]pyridazine?
4-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]-1-methylpiperazine-2-carboxamide;1-[(2S)-4-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]piperazin-2-yl]cyclopropan-1-ol;N-[[4-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]piperazin-2-yl]methyl]methanesulfonamide;N-[1-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]piperidin-3-yl]-N-methylmethanesulfonamide;N-[[4-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]-1,3,6-trimethylpiperazin-2-yl]methyl]methanesulfonamide;6-(difluoromethyl)-3-[6-[(3R,5S)-3-methyl-5-(methylsulfonylmethyl)piperidin-1-yl]pyrimidin-4-yl]imidazo[1,2-b]pyridazine has a molecular weight of 2568.75 g/mol, XLogP of 8.79, 30 rotatable bonds, 6 hydrogen bond donors, and 50 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]-1-methylpiperazine-2-carboxamide;1-[(2S)-4-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]piperazin-2-yl]cyclopropan-1-ol;N-[[4-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]piperazin-2-yl]methyl]methanesulfonamide;N-[1-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]piperidin-3-yl]-N-methylmethanesulfonamide;N-[[4-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]-1,3,6-trimethylpiperazin-2-yl]methyl]methanesulfonamide;6-(difluoromethyl)-3-[6-[(3R,5S)-3-methyl-5-(methylsulfonylmethyl)piperidin-1-yl]pyrimidin-4-yl]imidazo[1,2-b]pyridazine is sourced from PubChem (CID 159323399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).