6-(difluoromethyl)-3-[6-[(3S,5S)-4,4-difluoro-3-methyl-5-[(sulfamoylamino)methyl]piperidin-1-yl]pyrimidin-4-yl]imidazo[1,2-b]pyridazine;N-[[4-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]-3-methylpiperazin-2-yl]methyl]methanesulfonamide;[(3R,5R)-1-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]-5-methylpiperidin-3-yl]methanol;[(3S,5R)-1-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]-5-methylpiperidin-3-yl]methanol;2-[4-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]morpholin-2-yl]ethanesulfonamide;2-[1-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]piperidin-3-yl]ethanesulfonamide

C107H122F14N42O11S4 — CID 158584062

About 6-(difluoromethyl)-3-[6-[(3S,5S)-4,4-difluoro-3-methyl-5-[(sulfamoylamino)methyl]piperidin-1-yl]pyrimidin-4-yl]imidazo[1,2-b]pyridazine;N-[[4-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]-3-methylpiperazin-2-yl]methyl]methanesulfonamide;[(3R,5R)-1-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]-5-methylpiperidin-3-yl]methanol;[(3S,5R)-1-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]-5-methylpiperidin-3-yl]methanol;2-[4-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]morpholin-2-yl]ethanesulfonamide;2-[1-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]piperidin-3-yl]ethanesulfonamide

6-(difluoromethyl)-3-[6-[(3S,5S)-4,4-difluoro-3-methyl-5-[(sulfamoylamino)methyl]piperidin-1-yl]pyrimidin-4-yl]imidazo[1,2-b]pyridazine;N-[[4-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]-3-methylpiperazin-2-yl]methyl]methanesulfonamide;[(3R,5R)-1-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]-5-methylpiperidin-3-yl]methanol;[(3S,5R)-1-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]-5-methylpiperidin-3-yl]methanol;2-[4-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]morpholin-2-yl]ethanesulfonamide;2-[1-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]piperidin-3-yl]ethanesulfonamide (PubChem CID 158584062) has the molecular formula C107H122F14N42O11S4 and a molecular weight of 2566.68 g/mol. Its IUPAC name is 6-(difluoromethyl)-3-[6-[(3S,5S)-4,4-difluoro-3-methyl-5-[(sulfamoylamino)methyl]piperidin-1-yl]pyrimidin-4-yl]imidazo[1,2-b]pyridazine;N-[[4-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]-3-methylpiperazin-2-yl]methyl]methanesulfonamide;[(3R,5R)-1-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]-5-methylpiperidin-3-yl]methanol;[(3S,5R)-1-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]-5-methylpiperidin-3-yl]methanol;2-[4-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]morpholin-2-yl]ethanesulfonamide;2-[1-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]piperidin-3-yl]ethanesulfonamide.

Molecular Properties

• Compound Name: 6-(difluoromethyl)-3-[6-[(3S,5S)-4,4-difluoro-3-methyl-5-[(sulfamoylamino)methyl]piperidin-1-yl]pyrimidin-4-yl]imidazo[1,2-b]pyridazine;N-[[4-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]-3-methylpiperazin-2-yl]methyl]methanesulfonamide;[(3R,5R)-1-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]-5-methylpiperidin-3-yl]methanol;[(3S,5R)-1-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]-5-methylpiperidin-3-yl]methanol;2-[4-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]morpholin-2-yl]ethanesulfonamide;2-[1-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]piperidin-3-yl]ethanesulfonamide
• PubChem CID: 158584062
• Molecular Formula: C107H122F14N42O11S4
• Molecular Weight: 2566.68 g/mol
• Exact Mass: 2564.89
• IUPAC Name: 6-(difluoromethyl)-3-[6-[(3S,5S)-4,4-difluoro-3-methyl-5-[(sulfamoylamino)methyl]piperidin-1-yl]pyrimidin-4-yl]imidazo[1,2-b]pyridazine;N-[[4-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]-3-methylpiperazin-2-yl]methyl]methanesulfonamide;[(3R,5R)-1-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]-5-methylpiperidin-3-yl]methanol;[(3S,5R)-1-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]-5-methylpiperidin-3-yl]methanol;2-[4-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]morpholin-2-yl]ethanesulfonamide;2-[1-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]piperidin-3-yl]ethanesulfonamide
• SMILES: CC1C(CNS(C)(=O)=O)NCCN1c1cc(-c2cnc3ccc(C(F)F)nn23)ncn1.C[C@@H]1C[C@@H](CO)CN(c2cc(-c3cnc4ccc(C(F)F)nn34)ncn2)C1.C[C@@H]1C[C@H](CO)CN(c2cc(-c3cnc4ccc(C(F)F)nn34)ncn2)C1.C[C@H]1CN(c2cc(-c3cnc4ccc(C(F)F)nn34)ncn2)C[C@@H](CNS(N)(=O)=O)C1(F)F.NS(=O)(=O)CCC1CCCN(c2cc(-c3cnc4ccc(C(F)F)nn34)ncn2)C1.NS(=O)(=O)CCC1CN(c2cc(-c3cnc4ccc(C(F)F)nn34)ncn2)CCO1
• InChI: InChI=1S/C18H20F4N8O2S.C18H22F2N8O2S.C18H21F2N7O2S.2C18H20F2N6O.C17H19F2N7O3S/c1-10-7-29(8-11(18(10,21)22)5-27-33(23,31)32)16-4-13(25-9-26-16)14-6-24-15-3-2-12(17(19)20)28-30(14)15;1-11-14(8-25-31(2,29)30)21-5-6-27(11)17-7-13(23-10-24-17)15-9-22-16-4-3-12(18(19)20)26-28(15)16;19-18(20)13-3-4-16-22-9-15(27(16)25-13)14-8-17(24-11-23-14)26-6-1-2-12(10-26)5-7-30(21,28)29;2*1-11-4-12(9-27)8-25(7-11)17-5-14(22-10-23-17)15-6-21-16-3-2-13(18(19)20)24-26(15)16;18-17(19)12-1-2-15-21-8-14(26(15)24-12)13-7-16(23-10-22-13)25-4-5-29-11(9-25)3-6-30(20,27)28/h2-4,6,9-11,17,27H,5,7-8H2,1H3,(H2,23,31,32);3-4,7,9-11,14,18,21,25H,5-6,8H2,1-2H3;3-4,8-9,11-12,18H,1-2,5-7,10H2,(H2,21,28,29);2*2-3,5-6,10-12,18,27H,4,7-9H2,1H3;1-2,7-8,10-11,17H,3-6,9H2,(H2,20,27,28)/t10-,11+;;;11-,12+;11-,12-;/m0..11./s1
• InChIKey: HTPJGPAHTUESCY-QGJRHYENSA-N
• XLogP: 10.65
• TPSA: 655.66 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 48
• Rotatable Bonds: 32
• Heavy Atoms: 178
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2566.68
LogP ≤ 5	10.65
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	48

Frequently Asked Questions

What is the IUPAC name of 6-(difluoromethyl)-3-[6-[(3S,5S)-4,4-difluoro-3-methyl-5-[(sulfamoylamino)methyl]piperidin-1-yl]pyrimidin-4-yl]imidazo[1,2-b]pyridazine;N-[[4-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]-3-methylpiperazin-2-yl]methyl]methanesulfonamide;[(3R,5R)-1-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]-5-methylpiperidin-3-yl]methanol;[(3S,5R)-1-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]-5-methylpiperidin-3-yl]methanol;2-[4-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]morpholin-2-yl]ethanesulfonamide;2-[1-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]piperidin-3-yl]ethanesulfonamide?

The IUPAC name of 6-(difluoromethyl)-3-[6-[(3S,5S)-4,4-difluoro-3-methyl-5-[(sulfamoylamino)methyl]piperidin-1-yl]pyrimidin-4-yl]imidazo[1,2-b]pyridazine;N-[[4-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]-3-methylpiperazin-2-yl]methyl]methanesulfonamide;[(3R,5R)-1-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]-5-methylpiperidin-3-yl]methanol;[(3S,5R)-1-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]-5-methylpiperidin-3-yl]methanol;2-[4-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]morpholin-2-yl]ethanesulfonamide;2-[1-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]piperidin-3-yl]ethanesulfonamide (CID 158584062) is 6-(difluoromethyl)-3-[6-[(3S,5S)-4,4-difluoro-3-methyl-5-[(sulfamoylamino)methyl]piperidin-1-yl]pyrimidin-4-yl]imidazo[1,2-b]pyridazine;N-[[4-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]-3-methylpiperazin-2-yl]methyl]methanesulfonamide;[(3R,5R)-1-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]-5-methylpiperidin-3-yl]methanol;[(3S,5R)-1-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]-5-methylpiperidin-3-yl]methanol;2-[4-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]morpholin-2-yl]ethanesulfonamide;2-[1-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]piperidin-3-yl]ethanesulfonamide.

What is the SMILES notation for 6-(difluoromethyl)-3-[6-[(3S,5S)-4,4-difluoro-3-methyl-5-[(sulfamoylamino)methyl]piperidin-1-yl]pyrimidin-4-yl]imidazo[1,2-b]pyridazine;N-[[4-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]-3-methylpiperazin-2-yl]methyl]methanesulfonamide;[(3R,5R)-1-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]-5-methylpiperidin-3-yl]methanol;[(3S,5R)-1-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]-5-methylpiperidin-3-yl]methanol;2-[4-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]morpholin-2-yl]ethanesulfonamide;2-[1-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]piperidin-3-yl]ethanesulfonamide?

The canonical SMILES for 6-(difluoromethyl)-3-[6-[(3S,5S)-4,4-difluoro-3-methyl-5-[(sulfamoylamino)methyl]piperidin-1-yl]pyrimidin-4-yl]imidazo[1,2-b]pyridazine;N-[[4-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]-3-methylpiperazin-2-yl]methyl]methanesulfonamide;[(3R,5R)-1-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]-5-methylpiperidin-3-yl]methanol;[(3S,5R)-1-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]-5-methylpiperidin-3-yl]methanol;2-[4-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]morpholin-2-yl]ethanesulfonamide;2-[1-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]piperidin-3-yl]ethanesulfonamide is CC1C(CNS(C)(=O)=O)NCCN1c1cc(-c2cnc3ccc(C(F)F)nn23)ncn1.C[C@@H]1C[C@@H](CO)CN(c2cc(-c3cnc4ccc(C(F)F)nn34)ncn2)C1.C[C@@H]1C[C@H](CO)CN(c2cc(-c3cnc4ccc(C(F)F)nn34)ncn2)C1.C[C@H]1CN(c2cc(-c3cnc4ccc(C(F)F)nn34)ncn2)C[C@@H](CNS(N)(=O)=O)C1(F)F.NS(=O)(=O)CCC1CCCN(c2cc(-c3cnc4ccc(C(F)F)nn34)ncn2)C1.NS(=O)(=O)CCC1CN(c2cc(-c3cnc4ccc(C(F)F)nn34)ncn2)CCO1.

What is the InChIKey of 6-(difluoromethyl)-3-[6-[(3S,5S)-4,4-difluoro-3-methyl-5-[(sulfamoylamino)methyl]piperidin-1-yl]pyrimidin-4-yl]imidazo[1,2-b]pyridazine;N-[[4-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]-3-methylpiperazin-2-yl]methyl]methanesulfonamide;[(3R,5R)-1-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]-5-methylpiperidin-3-yl]methanol;[(3S,5R)-1-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]-5-methylpiperidin-3-yl]methanol;2-[4-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]morpholin-2-yl]ethanesulfonamide;2-[1-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]piperidin-3-yl]ethanesulfonamide?

The InChIKey is HTPJGPAHTUESCY-QGJRHYENSA-N. The full InChI is InChI=1S/C18H20F4N8O2S.C18H22F2N8O2S.C18H21F2N7O2S.2C18H20F2N6O.C17H19F2N7O3S/c1-10-7-29(8-11(18(10,21)22)5-27-33(23,31)32)16-4-13(25-9-26-16)14-6-24-15-3-2-12(17(19)20)28-30(14)15;1-11-14(8-25-31(2,29)30)21-5-6-27(11)17-7-13(23-10-24-17)15-9-22-16-4-3-12(18(19)20)26-28(15)16;19-18(20)13-3-4-16-22-9-15(27(16)25-13)14-8-17(24-11-23-14)26-6-1-2-12(10-26)5-7-30(21,28)29;2*1-11-4-12(9-27)8-25(7-11)17-5-14(22-10-23-17)15-6-21-16-3-2-13(18(19)20)24-26(15)16;18-17(19)12-1-2-15-21-8-14(26(15)24-12)13-7-16(23-10-22-13)25-4-5-29-11(9-25)3-6-30(20,27)28/h2-4,6,9-11,17,27H,5,7-8H2,1H3,(H2,23,31,32);3-4,7,9-11,14,18,21,25H,5-6,8H2,1-2H3;3-4,8-9,11-12,18H,1-2,5-7,10H2,(H2,21,28,29);2*2-3,5-6,10-12,18,27H,4,7-9H2,1H3;1-2,7-8,10-11,17H,3-6,9H2,(H2,20,27,28)/t10-,11+;;;11-,12+;11-,12-;/m0..11./s1.

What are the key properties of 6-(difluoromethyl)-3-[6-[(3S,5S)-4,4-difluoro-3-methyl-5-[(sulfamoylamino)methyl]piperidin-1-yl]pyrimidin-4-yl]imidazo[1,2-b]pyridazine;N-[[4-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]-3-methylpiperazin-2-yl]methyl]methanesulfonamide;[(3R,5R)-1-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]-5-methylpiperidin-3-yl]methanol;[(3S,5R)-1-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]-5-methylpiperidin-3-yl]methanol;2-[4-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]morpholin-2-yl]ethanesulfonamide;2-[1-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]piperidin-3-yl]ethanesulfonamide?

6-(difluoromethyl)-3-[6-[(3S,5S)-4,4-difluoro-3-methyl-5-[(sulfamoylamino)methyl]piperidin-1-yl]pyrimidin-4-yl]imidazo[1,2-b]pyridazine;N-[[4-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]-3-methylpiperazin-2-yl]methyl]methanesulfonamide;[(3R,5R)-1-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]-5-methylpiperidin-3-yl]methanol;[(3S,5R)-1-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]-5-methylpiperidin-3-yl]methanol;2-[4-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]morpholin-2-yl]ethanesulfonamide;2-[1-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]piperidin-3-yl]ethanesulfonamide has a molecular weight of 2566.68 g/mol, XLogP of 10.65, 32 rotatable bonds, 8 hydrogen bond donors, and 48 hydrogen bond acceptors.

Where does this data come from?

All data for 6-(difluoromethyl)-3-[6-[(3S,5S)-4,4-difluoro-3-methyl-5-[(sulfamoylamino)methyl]piperidin-1-yl]pyrimidin-4-yl]imidazo[1,2-b]pyridazine;N-[[4-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]-3-methylpiperazin-2-yl]methyl]methanesulfonamide;[(3R,5R)-1-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]-5-methylpiperidin-3-yl]methanol;[(3S,5R)-1-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]-5-methylpiperidin-3-yl]methanol;2-[4-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]morpholin-2-yl]ethanesulfonamide;2-[1-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]piperidin-3-yl]ethanesulfonamide is sourced from PubChem (CID 158584062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).