N-[[(3S,5S)-4,4-difluoro-1-[6-[6-(1-hydroxyethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]-5-methylpiperidin-3-yl]methyl]methanesulfonamide;N-[[(2R,6S)-4-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]-6-methylmorpholin-2-yl]methyl]methanesulfonamide;N-[[(2S,6S)-4-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]-6-methylmorpholin-2-yl]methyl]methanesulfonamide;N-[[1-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]-3-methylpiperazin-2-yl]methyl]methanesulfonamide;N-[[4-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]morpholin-2-yl]methyl]methanesulfonamide;N-[[(2S)-4-[6-(6-methylimidazo[1,2-b]pyridazin-3-yl)pyrimidin-4-yl]morpholin-2-yl]methyl]methanesulfonamide

C108H129F10N43O17S6 — CID 160501673

IUPACN-[[(3S,5S)-4,4-difluoro-1-[6-[6-(1-hydroxyethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]-5-methylpiperidin-3-yl]methyl]methanesulfonamide;N-[[(2R,6S)-4-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]-6-methylmorpholin-2-yl]methyl]methanesulfonamide;N-[[(2S,6S)-4-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]-6-methylmorpholin-2-yl]methyl]methanesulfonamide;N-[[1-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]-3-methylpiperazin-2-yl]methyl]methanesulfonamide;N-[[4-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]morpholin-2-yl]methyl]methanesulfonamide;N-[[(2S)-4-[6-(6-methylimidazo[1,2-b]pyridazin-3-yl)pyrimidin-4-yl]morpholin-2-yl]methyl]methanesulfonamide
SMILESCC(O)c1ccc2ncc(-c3cc(N4C[C@@H](CNS(C)(=O)=O)C(F)(F)[C@@H](C)C4)ncn3)n2n1.CC1NCCN(c2cc(-c3cnc4ccc(C(F)F)nn34)ncn2)C1CNS(C)(=O)=O.CS(=O)(=O)NCC1CN(c2cc(-c3cnc4ccc(C(F)F)nn34)ncn2)CCO1.C[C@H]1CN(c2cc(-c3cnc4ccc(C(F)F)nn34)ncn2)C[C@@H](CNS(C)(=O)=O)O1.C[C@H]1CN(c2cc(-c3cnc4ccc(C(F)F)nn34)ncn2)C[C@H](CNS(C)(=O)=O)O1.Cc1ccc2ncc(-c3cc(N4CCO[C@H](CNS(C)(=O)=O)C4)ncn3)n2n1
InChIInChI=1S/C20H25F2N7O3S.C18H22F2N8O2S.2C18H21F2N7O3S.C17H19F2N7O3S.C17H21N7O3S/c1-12-9-28(10-14(20(12,21)22)7-26-33(3,31)32)19-6-16(24-11-25-19)17-8-23-18-5-4-15(13(2)30)27-29(17)18;1-11-14(9-25-31(2,29)30)27(6-5-21-11)17-7-13(23-10-24-17)15-8-22-16-4-3-12(18(19)20)26-28(15)16;2*1-11-8-26(9-12(30-11)6-24-31(2,28)29)17-5-14(22-10-23-17)15-7-21-16-4-3-13(18(19)20)25-27(15)16;1-30(27,28)23-7-11-9-25(4-5-29-11)16-6-13(21-10-22-16)14-8-20-15-3-2-12(17(18)19)24-26(14)15;1-12-3-4-16-18-9-15(24(16)22-12)14-7-17(20-11-19-14)23-5-6-27-13(10-23)8-21-28(2,25)26/h4-6,8,11-14,26,30H,7,9-10H2,1-3H3;3-4,7-8,10-11,14,18,21,25H,5-6,9H2,1-2H3;2*3-5,7,10-12,18,24H,6,8-9H2,1-2H3;2-3,6,8,10-11,17,23H,4-5,7,9H2,1H3;3-4,7,9,11,13,21H,5-6,8,10H2,1-2H3/t12-,13?,14+;;11-,12+;11-,12-;;13-/m0.00.1/s1
InChIKeyQRWBOPKFNREMJJ-NQSUDKQASA-N
MW2683.89 g/mol
LogP6.00
Rot. Bonds35

About N-[[(3S,5S)-4,4-difluoro-1-[6-[6-(1-hydroxyethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]-5-methylpiperidin-3-yl]methyl]methanesulfonamide;N-[[(2R,6S)-4-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]-6-methylmorpholin-2-yl]methyl]methanesulfonamide;N-[[(2S,6S)-4-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]-6-methylmorpholin-2-yl]methyl]methanesulfonamide;N-[[1-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]-3-methylpiperazin-2-yl]methyl]methanesulfonamide;N-[[4-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]morpholin-2-yl]methyl]methanesulfonamide;N-[[(2S)-4-[6-(6-methylimidazo[1,2-b]pyridazin-3-yl)pyrimidin-4-yl]morpholin-2-yl]methyl]methanesulfonamide

N-[[(3S,5S)-4,4-difluoro-1-[6-[6-(1-hydroxyethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]-5-methylpiperidin-3-yl]methyl]methanesulfonamide;N-[[(2R,6S)-4-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]-6-methylmorpholin-2-yl]methyl]methanesulfonamide;N-[[(2S,6S)-4-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]-6-methylmorpholin-2-yl]methyl]methanesulfonamide;N-[[1-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]-3-methylpiperazin-2-yl]methyl]methanesulfonamide;N-[[4-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]morpholin-2-yl]methyl]methanesulfonamide;N-[[(2S)-4-[6-(6-methylimidazo[1,2-b]pyridazin-3-yl)pyrimidin-4-yl]morpholin-2-yl]methyl]methanesulfonamide (PubChem CID 160501673) has the molecular formula C108H129F10N43O17S6 and a molecular weight of 2683.89 g/mol. Its IUPAC name is N-[[(3S,5S)-4,4-difluoro-1-[6-[6-(1-hydroxyethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]-5-methylpiperidin-3-yl]methyl]methanesulfonamide;N-[[(2R,6S)-4-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]-6-methylmorpholin-2-yl]methyl]methanesulfonamide;N-[[(2S,6S)-4-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]-6-methylmorpholin-2-yl]methyl]methanesulfonamide;N-[[1-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]-3-methylpiperazin-2-yl]methyl]methanesulfonamide;N-[[4-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]morpholin-2-yl]methyl]methanesulfonamide;N-[[(2S)-4-[6-(6-methylimidazo[1,2-b]pyridazin-3-yl)pyrimidin-4-yl]morpholin-2-yl]methyl]methanesulfonamide.

Molecular Properties

Compound NameN-[[(3S,5S)-4,4-difluoro-1-[6-[6-(1-hydroxyethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]-5-methylpiperidin-3-yl]methyl]methanesulfonamide;N-[[(2R,6S)-4-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]-6-methylmorpholin-2-yl]methyl]methanesulfonamide;N-[[(2S,6S)-4-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]-6-methylmorpholin-2-yl]methyl]methanesulfonamide;N-[[1-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]-3-methylpiperazin-2-yl]methyl]methanesulfonamide;N-[[4-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]morpholin-2-yl]methyl]methanesulfonamide;N-[[(2S)-4-[6-(6-methylimidazo[1,2-b]pyridazin-3-yl)pyrimidin-4-yl]morpholin-2-yl]methyl]methanesulfonamide
PubChem CID160501673
Molecular FormulaC108H129F10N43O17S6
Molecular Weight2683.89 g/mol
Exact Mass2681.87
IUPAC NameN-[[(3S,5S)-4,4-difluoro-1-[6-[6-(1-hydroxyethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]-5-methylpiperidin-3-yl]methyl]methanesulfonamide;N-[[(2R,6S)-4-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]-6-methylmorpholin-2-yl]methyl]methanesulfonamide;N-[[(2S,6S)-4-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]-6-methylmorpholin-2-yl]methyl]methanesulfonamide;N-[[1-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]-3-methylpiperazin-2-yl]methyl]methanesulfonamide;N-[[4-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]morpholin-2-yl]methyl]methanesulfonamide;N-[[(2S)-4-[6-(6-methylimidazo[1,2-b]pyridazin-3-yl)pyrimidin-4-yl]morpholin-2-yl]methyl]methanesulfonamide
SMILESCC(O)c1ccc2ncc(-c3cc(N4C[C@@H](CNS(C)(=O)=O)C(F)(F)[C@@H](C)C4)ncn3)n2n1.CC1NCCN(c2cc(-c3cnc4ccc(C(F)F)nn34)ncn2)C1CNS(C)(=O)=O.CS(=O)(=O)NCC1CN(c2cc(-c3cnc4ccc(C(F)F)nn34)ncn2)CCO1.C[C@H]1CN(c2cc(-c3cnc4ccc(C(F)F)nn34)ncn2)C[C@@H](CNS(C)(=O)=O)O1.C[C@H]1CN(c2cc(-c3cnc4ccc(C(F)F)nn34)ncn2)C[C@H](CNS(C)(=O)=O)O1.Cc1ccc2ncc(-c3cc(N4CCO[C@H](CNS(C)(=O)=O)C4)ncn3)n2n1
InChIInChI=1S/C20H25F2N7O3S.C18H22F2N8O2S.2C18H21F2N7O3S.C17H19F2N7O3S.C17H21N7O3S/c1-12-9-28(10-14(20(12,21)22)7-26-33(3,31)32)19-6-16(24-11-25-19)17-8-23-18-5-4-15(13(2)30)27-29(17)18;1-11-14(9-25-31(2,29)30)27(6-5-21-11)17-7-13(23-10-24-17)15-8-22-16-4-3-12(18(19)20)26-28(15)16;2*1-11-8-26(9-12(30-11)6-24-31(2,28)29)17-5-14(22-10-23-17)15-7-21-16-4-3-13(18(19)20)25-27(15)16;1-30(27,28)23-7-11-9-25(4-5-29-11)16-6-13(21-10-22-16)14-8-20-15-3-2-12(17(18)19)24-26(14)15;1-12-3-4-16-18-9-15(24(16)22-12)14-7-17(20-11-19-14)23-5-6-27-13(10-23)8-21-28(2,25)26/h4-6,8,11-14,26,30H,7,9-10H2,1-3H3;3-4,7-8,10-11,14,18,21,25H,5-6,9H2,1-2H3;2*3-5,7,10-12,18,24H,6,8-9H2,1-2H3;2-3,6,8,10-11,17,23H,4-5,7,9H2,1H3;3-4,7,9,11,13,21H,5-6,8,10H2,1-2H3/t12-,13?,14+;;11-,12+;11-,12-;;13-/m0.00.1/s1
InChIKeyQRWBOPKFNREMJJ-NQSUDKQASA-N
XLogP6.00
TPSA701.46 Ų
H-Bond Donors8
H-Bond Acceptors54
Rotatable Bonds35
Heavy Atoms184
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002683.89
LogP ≤ 56.00
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1054

Analyze N-[[(3S,5S)-4,4-difluoro-1-[6-[6-(1-hydroxyethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]-5-methylpiperidin-3-yl]methyl]methanesulfonamide;N-[[(2R,6S)-4-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]-6-methylmorpholin-2-yl]methyl]methanesulfonamide;N-[[(2S,6S)-4-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]-6-methylmorpholin-2-yl]methyl]methanesulfonamide;N-[[1-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]-3-methylpiperazin-2-yl]methyl]methanesulfonamide;N-[[4-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]morpholin-2-yl]methyl]methanesulfonamide;N-[[(2S)-4-[6-(6-methylimidazo[1,2-b]pyridazin-3-yl)pyrimidin-4-yl]morpholin-2-yl]methyl]methanesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Frequently Asked Questions

What is the IUPAC name of N-[[(3S,5S)-4,4-difluoro-1-[6-[6-(1-hydroxyethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]-5-methylpiperidin-3-yl]methyl]methanesulfonamide;N-[[(2R,6S)-4-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]-6-methylmorpholin-2-yl]methyl]methanesulfonamide;N-[[(2S,6S)-4-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]-6-methylmorpholin-2-yl]methyl]methanesulfonamide;N-[[1-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]-3-methylpiperazin-2-yl]methyl]methanesulfonamide;N-[[4-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]morpholin-2-yl]methyl]methanesulfonamide;N-[[(2S)-4-[6-(6-methylimidazo[1,2-b]pyridazin-3-yl)pyrimidin-4-yl]morpholin-2-yl]methyl]methanesulfonamide?
The IUPAC name of N-[[(3S,5S)-4,4-difluoro-1-[6-[6-(1-hydroxyethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]-5-methylpiperidin-3-yl]methyl]methanesulfonamide;N-[[(2R,6S)-4-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]-6-methylmorpholin-2-yl]methyl]methanesulfonamide;N-[[(2S,6S)-4-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]-6-methylmorpholin-2-yl]methyl]methanesulfonamide;N-[[1-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]-3-methylpiperazin-2-yl]methyl]methanesulfonamide;N-[[4-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]morpholin-2-yl]methyl]methanesulfonamide;N-[[(2S)-4-[6-(6-methylimidazo[1,2-b]pyridazin-3-yl)pyrimidin-4-yl]morpholin-2-yl]methyl]methanesulfonamide (CID 160501673) is N-[[(3S,5S)-4,4-difluoro-1-[6-[6-(1-hydroxyethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]-5-methylpiperidin-3-yl]methyl]methanesulfonamide;N-[[(2R,6S)-4-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]-6-methylmorpholin-2-yl]methyl]methanesulfonamide;N-[[(2S,6S)-4-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]-6-methylmorpholin-2-yl]methyl]methanesulfonamide;N-[[1-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]-3-methylpiperazin-2-yl]methyl]methanesulfonamide;N-[[4-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]morpholin-2-yl]methyl]methanesulfonamide;N-[[(2S)-4-[6-(6-methylimidazo[1,2-b]pyridazin-3-yl)pyrimidin-4-yl]morpholin-2-yl]methyl]methanesulfonamide.
What is the SMILES notation for N-[[(3S,5S)-4,4-difluoro-1-[6-[6-(1-hydroxyethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]-5-methylpiperidin-3-yl]methyl]methanesulfonamide;N-[[(2R,6S)-4-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]-6-methylmorpholin-2-yl]methyl]methanesulfonamide;N-[[(2S,6S)-4-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]-6-methylmorpholin-2-yl]methyl]methanesulfonamide;N-[[1-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]-3-methylpiperazin-2-yl]methyl]methanesulfonamide;N-[[4-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]morpholin-2-yl]methyl]methanesulfonamide;N-[[(2S)-4-[6-(6-methylimidazo[1,2-b]pyridazin-3-yl)pyrimidin-4-yl]morpholin-2-yl]methyl]methanesulfonamide?
The canonical SMILES for N-[[(3S,5S)-4,4-difluoro-1-[6-[6-(1-hydroxyethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]-5-methylpiperidin-3-yl]methyl]methanesulfonamide;N-[[(2R,6S)-4-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]-6-methylmorpholin-2-yl]methyl]methanesulfonamide;N-[[(2S,6S)-4-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]-6-methylmorpholin-2-yl]methyl]methanesulfonamide;N-[[1-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]-3-methylpiperazin-2-yl]methyl]methanesulfonamide;N-[[4-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]morpholin-2-yl]methyl]methanesulfonamide;N-[[(2S)-4-[6-(6-methylimidazo[1,2-b]pyridazin-3-yl)pyrimidin-4-yl]morpholin-2-yl]methyl]methanesulfonamide is CC(O)c1ccc2ncc(-c3cc(N4C[C@@H](CNS(C)(=O)=O)C(F)(F)[C@@H](C)C4)ncn3)n2n1.CC1NCCN(c2cc(-c3cnc4ccc(C(F)F)nn34)ncn2)C1CNS(C)(=O)=O.CS(=O)(=O)NCC1CN(c2cc(-c3cnc4ccc(C(F)F)nn34)ncn2)CCO1.C[C@H]1CN(c2cc(-c3cnc4ccc(C(F)F)nn34)ncn2)C[C@@H](CNS(C)(=O)=O)O1.C[C@H]1CN(c2cc(-c3cnc4ccc(C(F)F)nn34)ncn2)C[C@H](CNS(C)(=O)=O)O1.Cc1ccc2ncc(-c3cc(N4CCO[C@H](CNS(C)(=O)=O)C4)ncn3)n2n1.
What is the InChIKey of N-[[(3S,5S)-4,4-difluoro-1-[6-[6-(1-hydroxyethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]-5-methylpiperidin-3-yl]methyl]methanesulfonamide;N-[[(2R,6S)-4-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]-6-methylmorpholin-2-yl]methyl]methanesulfonamide;N-[[(2S,6S)-4-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]-6-methylmorpholin-2-yl]methyl]methanesulfonamide;N-[[1-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]-3-methylpiperazin-2-yl]methyl]methanesulfonamide;N-[[4-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]morpholin-2-yl]methyl]methanesulfonamide;N-[[(2S)-4-[6-(6-methylimidazo[1,2-b]pyridazin-3-yl)pyrimidin-4-yl]morpholin-2-yl]methyl]methanesulfonamide?
The InChIKey is QRWBOPKFNREMJJ-NQSUDKQASA-N. The full InChI is InChI=1S/C20H25F2N7O3S.C18H22F2N8O2S.2C18H21F2N7O3S.C17H19F2N7O3S.C17H21N7O3S/c1-12-9-28(10-14(20(12,21)22)7-26-33(3,31)32)19-6-16(24-11-25-19)17-8-23-18-5-4-15(13(2)30)27-29(17)18;1-11-14(9-25-31(2,29)30)27(6-5-21-11)17-7-13(23-10-24-17)15-8-22-16-4-3-12(18(19)20)26-28(15)16;2*1-11-8-26(9-12(30-11)6-24-31(2,28)29)17-5-14(22-10-23-17)15-7-21-16-4-3-13(18(19)20)25-27(15)16;1-30(27,28)23-7-11-9-25(4-5-29-11)16-6-13(21-10-22-16)14-8-20-15-3-2-12(17(18)19)24-26(14)15;1-12-3-4-16-18-9-15(24(16)22-12)14-7-17(20-11-19-14)23-5-6-27-13(10-23)8-21-28(2,25)26/h4-6,8,11-14,26,30H,7,9-10H2,1-3H3;3-4,7-8,10-11,14,18,21,25H,5-6,9H2,1-2H3;2*3-5,7,10-12,18,24H,6,8-9H2,1-2H3;2-3,6,8,10-11,17,23H,4-5,7,9H2,1H3;3-4,7,9,11,13,21H,5-6,8,10H2,1-2H3/t12-,13?,14+;;11-,12+;11-,12-;;13-/m0.00.1/s1.
What are the key properties of N-[[(3S,5S)-4,4-difluoro-1-[6-[6-(1-hydroxyethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]-5-methylpiperidin-3-yl]methyl]methanesulfonamide;N-[[(2R,6S)-4-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]-6-methylmorpholin-2-yl]methyl]methanesulfonamide;N-[[(2S,6S)-4-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]-6-methylmorpholin-2-yl]methyl]methanesulfonamide;N-[[1-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]-3-methylpiperazin-2-yl]methyl]methanesulfonamide;N-[[4-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]morpholin-2-yl]methyl]methanesulfonamide;N-[[(2S)-4-[6-(6-methylimidazo[1,2-b]pyridazin-3-yl)pyrimidin-4-yl]morpholin-2-yl]methyl]methanesulfonamide?
N-[[(3S,5S)-4,4-difluoro-1-[6-[6-(1-hydroxyethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]-5-methylpiperidin-3-yl]methyl]methanesulfonamide;N-[[(2R,6S)-4-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]-6-methylmorpholin-2-yl]methyl]methanesulfonamide;N-[[(2S,6S)-4-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]-6-methylmorpholin-2-yl]methyl]methanesulfonamide;N-[[1-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]-3-methylpiperazin-2-yl]methyl]methanesulfonamide;N-[[4-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]morpholin-2-yl]methyl]methanesulfonamide;N-[[(2S)-4-[6-(6-methylimidazo[1,2-b]pyridazin-3-yl)pyrimidin-4-yl]morpholin-2-yl]methyl]methanesulfonamide has a molecular weight of 2683.89 g/mol, XLogP of 6.00, 35 rotatable bonds, 8 hydrogen bond donors, and 54 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(3S,5S)-4,4-difluoro-1-[6-[6-(1-hydroxyethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]-5-methylpiperidin-3-yl]methyl]methanesulfonamide;N-[[(2R,6S)-4-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]-6-methylmorpholin-2-yl]methyl]methanesulfonamide;N-[[(2S,6S)-4-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]-6-methylmorpholin-2-yl]methyl]methanesulfonamide;N-[[1-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]-3-methylpiperazin-2-yl]methyl]methanesulfonamide;N-[[4-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]morpholin-2-yl]methyl]methanesulfonamide;N-[[(2S)-4-[6-(6-methylimidazo[1,2-b]pyridazin-3-yl)pyrimidin-4-yl]morpholin-2-yl]methyl]methanesulfonamide is sourced from PubChem (CID 160501673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).