N-[[(2S)-4-[6-[6-(1,1-difluoroethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]morpholin-2-yl]methyl]methanesulfonamide;bis((3R)-4-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]-3-methylmorpholine);(3S)-4-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]-3-methylmorpholine;4-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]-2-(1,2,4-triazol-1-ylmethyl)morpholine;6-(difluoromethyl)-3-[6-[(2S)-2-methylpiperidin-1-yl]pyrimidin-4-yl]imidazo[1,2-b]pyridazine

C101H104F12N40O7S — CID 158938049

About N-[[(2S)-4-[6-[6-(1,1-difluoroethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]morpholin-2-yl]methyl]methanesulfonamide;bis((3R)-4-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]-3-methylmorpholine);(3S)-4-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]-3-methylmorpholine;4-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]-2-(1,2,4-triazol-1-ylmethyl)morpholine;6-(difluoromethyl)-3-[6-[(2S)-2-methylpiperidin-1-yl]pyrimidin-4-yl]imidazo[1,2-b]pyridazine

N-[[(2S)-4-[6-[6-(1,1-difluoroethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]morpholin-2-yl]methyl]methanesulfonamide;bis((3R)-4-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]-3-methylmorpholine);(3S)-4-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]-3-methylmorpholine;4-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]-2-(1,2,4-triazol-1-ylmethyl)morpholine;6-(difluoromethyl)-3-[6-[(2S)-2-methylpiperidin-1-yl]pyrimidin-4-yl]imidazo[1,2-b]pyridazine (PubChem CID 158938049) has the molecular formula C101H104F12N40O7S and a molecular weight of 2250.26 g/mol. Its IUPAC name is N-[[(2S)-4-[6-[6-(1,1-difluoroethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]morpholin-2-yl]methyl]methanesulfonamide;bis((3R)-4-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]-3-methylmorpholine);(3S)-4-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]-3-methylmorpholine;4-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]-2-(1,2,4-triazol-1-ylmethyl)morpholine;6-(difluoromethyl)-3-[6-[(2S)-2-methylpiperidin-1-yl]pyrimidin-4-yl]imidazo[1,2-b]pyridazine.

Molecular Properties

• Compound Name: N-[[(2S)-4-[6-[6-(1,1-difluoroethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]morpholin-2-yl]methyl]methanesulfonamide;bis((3R)-4-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]-3-methylmorpholine);(3S)-4-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]-3-methylmorpholine;4-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]-2-(1,2,4-triazol-1-ylmethyl)morpholine;6-(difluoromethyl)-3-[6-[(2S)-2-methylpiperidin-1-yl]pyrimidin-4-yl]imidazo[1,2-b]pyridazine
• PubChem CID: 158938049
• Molecular Formula: C101H104F12N40O7S
• Molecular Weight: 2250.26 g/mol
• Exact Mass: 2248.85
• IUPAC Name: N-[[(2S)-4-[6-[6-(1,1-difluoroethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]morpholin-2-yl]methyl]methanesulfonamide;bis((3R)-4-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]-3-methylmorpholine);(3S)-4-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]-3-methylmorpholine;4-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]-2-(1,2,4-triazol-1-ylmethyl)morpholine;6-(difluoromethyl)-3-[6-[(2S)-2-methylpiperidin-1-yl]pyrimidin-4-yl]imidazo[1,2-b]pyridazine
• SMILES: CC(F)(F)c1ccc2ncc(-c3cc(N4CCO[C@H](CNS(C)(=O)=O)C4)ncn3)n2n1.C[C@@H]1COCCN1c1cc(-c2cnc3ccc(C(F)F)nn23)ncn1.C[C@@H]1COCCN1c1cc(-c2cnc3ccc(C(F)F)nn23)ncn1.C[C@H]1CCCCN1c1cc(-c2cnc3ccc(C(F)F)nn23)ncn1.C[C@H]1COCCN1c1cc(-c2cnc3ccc(C(F)F)nn23)ncn1.FC(F)c1ccc2ncc(-c3cc(N4CCOC(Cn5cncn5)C4)ncn3)n2n1
• InChI: InChI=1S/C18H17F2N9O.C18H21F2N7O3S.C17H18F2N6.3C16H16F2N6O/c19-18(20)13-1-2-16-22-6-15(29(16)26-13)14-5-17(24-10-23-14)27-3-4-30-12(7-27)8-28-11-21-9-25-28;1-18(19,20)15-3-4-16-21-9-14(27(16)25-15)13-7-17(23-11-22-13)26-5-6-30-12(10-26)8-24-31(2,28)29;1-11-4-2-3-7-24(11)16-8-13(21-10-22-16)14-9-20-15-6-5-12(17(18)19)23-25(14)15;3*1-10-8-25-5-4-23(10)15-6-12(20-9-21-15)13-7-19-14-3-2-11(16(17)18)22-24(13)14/h1-2,5-6,9-12,18H,3-4,7-8H2;3-4,7,9,11-12,24H,5-6,8,10H2,1-2H3;5-6,8-11,17H,2-4,7H2,1H3;3*2-3,6-7,9-10,16H,4-5,8H2,1H3/t;12-;11-;3*10-/m.10110/s1
• InChIKey: JJWZIHKZVOKMEG-CKULDQGCSA-N
• XLogP: 13.22
• TPSA: 478.29 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 46
• Rotatable Bonds: 23
• Heavy Atoms: 161
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2250.26
LogP ≤ 5	13.22
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	46

Frequently Asked Questions

What is the IUPAC name of N-[[(2S)-4-[6-[6-(1,1-difluoroethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]morpholin-2-yl]methyl]methanesulfonamide;bis((3R)-4-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]-3-methylmorpholine);(3S)-4-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]-3-methylmorpholine;4-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]-2-(1,2,4-triazol-1-ylmethyl)morpholine;6-(difluoromethyl)-3-[6-[(2S)-2-methylpiperidin-1-yl]pyrimidin-4-yl]imidazo[1,2-b]pyridazine?

The IUPAC name of N-[[(2S)-4-[6-[6-(1,1-difluoroethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]morpholin-2-yl]methyl]methanesulfonamide;bis((3R)-4-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]-3-methylmorpholine);(3S)-4-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]-3-methylmorpholine;4-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]-2-(1,2,4-triazol-1-ylmethyl)morpholine;6-(difluoromethyl)-3-[6-[(2S)-2-methylpiperidin-1-yl]pyrimidin-4-yl]imidazo[1,2-b]pyridazine (CID 158938049) is N-[[(2S)-4-[6-[6-(1,1-difluoroethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]morpholin-2-yl]methyl]methanesulfonamide;bis((3R)-4-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]-3-methylmorpholine);(3S)-4-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]-3-methylmorpholine;4-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]-2-(1,2,4-triazol-1-ylmethyl)morpholine;6-(difluoromethyl)-3-[6-[(2S)-2-methylpiperidin-1-yl]pyrimidin-4-yl]imidazo[1,2-b]pyridazine.

What is the SMILES notation for N-[[(2S)-4-[6-[6-(1,1-difluoroethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]morpholin-2-yl]methyl]methanesulfonamide;bis((3R)-4-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]-3-methylmorpholine);(3S)-4-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]-3-methylmorpholine;4-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]-2-(1,2,4-triazol-1-ylmethyl)morpholine;6-(difluoromethyl)-3-[6-[(2S)-2-methylpiperidin-1-yl]pyrimidin-4-yl]imidazo[1,2-b]pyridazine?

The canonical SMILES for N-[[(2S)-4-[6-[6-(1,1-difluoroethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]morpholin-2-yl]methyl]methanesulfonamide;bis((3R)-4-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]-3-methylmorpholine);(3S)-4-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]-3-methylmorpholine;4-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]-2-(1,2,4-triazol-1-ylmethyl)morpholine;6-(difluoromethyl)-3-[6-[(2S)-2-methylpiperidin-1-yl]pyrimidin-4-yl]imidazo[1,2-b]pyridazine is CC(F)(F)c1ccc2ncc(-c3cc(N4CCO[C@H](CNS(C)(=O)=O)C4)ncn3)n2n1.C[C@@H]1COCCN1c1cc(-c2cnc3ccc(C(F)F)nn23)ncn1.C[C@@H]1COCCN1c1cc(-c2cnc3ccc(C(F)F)nn23)ncn1.C[C@H]1CCCCN1c1cc(-c2cnc3ccc(C(F)F)nn23)ncn1.C[C@H]1COCCN1c1cc(-c2cnc3ccc(C(F)F)nn23)ncn1.FC(F)c1ccc2ncc(-c3cc(N4CCOC(Cn5cncn5)C4)ncn3)n2n1.

What is the InChIKey of N-[[(2S)-4-[6-[6-(1,1-difluoroethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]morpholin-2-yl]methyl]methanesulfonamide;bis((3R)-4-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]-3-methylmorpholine);(3S)-4-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]-3-methylmorpholine;4-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]-2-(1,2,4-triazol-1-ylmethyl)morpholine;6-(difluoromethyl)-3-[6-[(2S)-2-methylpiperidin-1-yl]pyrimidin-4-yl]imidazo[1,2-b]pyridazine?

The InChIKey is JJWZIHKZVOKMEG-CKULDQGCSA-N. The full InChI is InChI=1S/C18H17F2N9O.C18H21F2N7O3S.C17H18F2N6.3C16H16F2N6O/c19-18(20)13-1-2-16-22-6-15(29(16)26-13)14-5-17(24-10-23-14)27-3-4-30-12(7-27)8-28-11-21-9-25-28;1-18(19,20)15-3-4-16-21-9-14(27(16)25-15)13-7-17(23-11-22-13)26-5-6-30-12(10-26)8-24-31(2,28)29;1-11-4-2-3-7-24(11)16-8-13(21-10-22-16)14-9-20-15-6-5-12(17(18)19)23-25(14)15;3*1-10-8-25-5-4-23(10)15-6-12(20-9-21-15)13-7-19-14-3-2-11(16(17)18)22-24(13)14/h1-2,5-6,9-12,18H,3-4,7-8H2;3-4,7,9,11-12,24H,5-6,8,10H2,1-2H3;5-6,8-11,17H,2-4,7H2,1H3;3*2-3,6-7,9-10,16H,4-5,8H2,1H3/t;12-;11-;3*10-/m.10110/s1.

What are the key properties of N-[[(2S)-4-[6-[6-(1,1-difluoroethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]morpholin-2-yl]methyl]methanesulfonamide;bis((3R)-4-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]-3-methylmorpholine);(3S)-4-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]-3-methylmorpholine;4-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]-2-(1,2,4-triazol-1-ylmethyl)morpholine;6-(difluoromethyl)-3-[6-[(2S)-2-methylpiperidin-1-yl]pyrimidin-4-yl]imidazo[1,2-b]pyridazine?

N-[[(2S)-4-[6-[6-(1,1-difluoroethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]morpholin-2-yl]methyl]methanesulfonamide;bis((3R)-4-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]-3-methylmorpholine);(3S)-4-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]-3-methylmorpholine;4-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]-2-(1,2,4-triazol-1-ylmethyl)morpholine;6-(difluoromethyl)-3-[6-[(2S)-2-methylpiperidin-1-yl]pyrimidin-4-yl]imidazo[1,2-b]pyridazine has a molecular weight of 2250.26 g/mol, XLogP of 13.22, 23 rotatable bonds, 1 hydrogen bond donors, and 46 hydrogen bond acceptors.

Where does this data come from?

All data for N-[[(2S)-4-[6-[6-(1,1-difluoroethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]morpholin-2-yl]methyl]methanesulfonamide;bis((3R)-4-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]-3-methylmorpholine);(3S)-4-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]-3-methylmorpholine;4-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]-2-(1,2,4-triazol-1-ylmethyl)morpholine;6-(difluoromethyl)-3-[6-[(2S)-2-methylpiperidin-1-yl]pyrimidin-4-yl]imidazo[1,2-b]pyridazine is sourced from PubChem (CID 158938049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).