N-[[1-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]-4-fluoro-3-methyl-3,6-dihydro-2H-pyridin-5-yl]methyl]methanesulfonamide;N-[[1-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]-4-fluoro-5-methyl-3,6-dihydro-2H-pyridin-3-yl]methyl]methanesulfonamide;2-[4-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]-1-methylpiperazin-2-yl]ethanol;8-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]-5-methyl-2,5,8-triazaspiro[3.5]nonane-2-sulfonamide;1-[4-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]piperidin-1-yl]ethanone;1-[6-[6-(trifluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]piperidine-3-carbonitrile

C109H114F15N43O8S3 — CID 158071083

About N-[[1-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]-4-fluoro-3-methyl-3,6-dihydro-2H-pyridin-5-yl]methyl]methanesulfonamide;N-[[1-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]-4-fluoro-5-methyl-3,6-dihydro-2H-pyridin-3-yl]methyl]methanesulfonamide;2-[4-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]-1-methylpiperazin-2-yl]ethanol;8-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]-5-methyl-2,5,8-triazaspiro[3.5]nonane-2-sulfonamide;1-[4-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]piperidin-1-yl]ethanone;1-[6-[6-(trifluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]piperidine-3-carbonitrile

N-[[1-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]-4-fluoro-3-methyl-3,6-dihydro-2H-pyridin-5-yl]methyl]methanesulfonamide;N-[[1-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]-4-fluoro-5-methyl-3,6-dihydro-2H-pyridin-3-yl]methyl]methanesulfonamide;2-[4-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]-1-methylpiperazin-2-yl]ethanol;8-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]-5-methyl-2,5,8-triazaspiro[3.5]nonane-2-sulfonamide;1-[4-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]piperidin-1-yl]ethanone;1-[6-[6-(trifluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]piperidine-3-carbonitrile (PubChem CID 158071083) has the molecular formula C109H114F15N43O8S3 and a molecular weight of 2535.57 g/mol. Its IUPAC name is N-[[1-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]-4-fluoro-3-methyl-3,6-dihydro-2H-pyridin-5-yl]methyl]methanesulfonamide;N-[[1-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]-4-fluoro-5-methyl-3,6-dihydro-2H-pyridin-3-yl]methyl]methanesulfonamide;2-[4-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]-1-methylpiperazin-2-yl]ethanol;8-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]-5-methyl-2,5,8-triazaspiro[3.5]nonane-2-sulfonamide;1-[4-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]piperidin-1-yl]ethanone;1-[6-[6-(trifluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]piperidine-3-carbonitrile.

Molecular Properties

• Compound Name: N-[[1-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]-4-fluoro-3-methyl-3,6-dihydro-2H-pyridin-5-yl]methyl]methanesulfonamide;N-[[1-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]-4-fluoro-5-methyl-3,6-dihydro-2H-pyridin-3-yl]methyl]methanesulfonamide;2-[4-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]-1-methylpiperazin-2-yl]ethanol;8-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]-5-methyl-2,5,8-triazaspiro[3.5]nonane-2-sulfonamide;1-[4-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]piperidin-1-yl]ethanone;1-[6-[6-(trifluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]piperidine-3-carbonitrile
• PubChem CID: 158071083
• Molecular Formula: C109H114F15N43O8S3
• Molecular Weight: 2535.57 g/mol
• Exact Mass: 2533.88
• IUPAC Name: N-[[1-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]-4-fluoro-3-methyl-3,6-dihydro-2H-pyridin-5-yl]methyl]methanesulfonamide;N-[[1-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]-4-fluoro-5-methyl-3,6-dihydro-2H-pyridin-3-yl]methyl]methanesulfonamide;2-[4-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]-1-methylpiperazin-2-yl]ethanol;8-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]-5-methyl-2,5,8-triazaspiro[3.5]nonane-2-sulfonamide;1-[4-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]piperidin-1-yl]ethanone;1-[6-[6-(trifluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]piperidine-3-carbonitrile
• SMILES: CC(=O)N1CCC(c2cc(-c3cnc4ccc(C(F)F)nn34)ncn2)CC1.CC1=C(F)C(CNS(C)(=O)=O)CN(c2cc(-c3cnc4ccc(C(F)F)nn34)ncn2)C1.CC1CN(c2cc(-c3cnc4ccc(C(F)F)nn34)ncn2)CC(CNS(C)(=O)=O)=C1F.CN1CCN(c2cc(-c3cnc4ccc(C(F)F)nn34)ncn2)CC12CN(S(N)(=O)=O)C2.CN1CCN(c2cc(-c3cnc4ccc(C(F)F)nn34)ncn2)CC1CCO.N#CC1CCCN(c2cc(-c3cnc4ccc(C(F)(F)F)nn34)ncn2)C1
• InChI: InChI=1S/2C19H20F3N7O2S.C18H21F2N9O2S.C18H21F2N7O.C18H18F2N6O.C17H14F3N7/c2*1-11-8-28(9-12(18(11)20)6-26-32(2,30)31)17-5-14(24-10-25-17)15-7-23-16-4-3-13(19(21)22)27-29(15)16;1-26-4-5-27(8-18(26)9-28(10-18)32(21,30)31)16-6-13(23-11-24-16)14-7-22-15-3-2-12(17(19)20)25-29(14)15;1-25-5-6-26(10-12(25)4-7-28)17-8-14(22-11-23-17)15-9-21-16-3-2-13(18(19)20)24-27(15)16;1-11(27)25-6-4-12(5-7-25)14-8-15(23-10-22-14)16-9-21-17-3-2-13(18(19)20)24-26(16)17;18-17(19,20)14-3-4-15-22-8-13(27(15)25-14)12-6-16(24-10-23-12)26-5-1-2-11(7-21)9-26/h3-5,7,10,12,19,26H,6,8-9H2,1-2H3;3-5,7,10-11,19,26H,6,8-9H2,1-2H3;2-3,6-7,11,17H,4-5,8-10H2,1H3,(H2,21,30,31);2-3,8-9,11-12,18,28H,4-7,10H2,1H3;2-3,8-10,12,18H,4-7H2,1H3;3-4,6,8,10-11H,1-2,5,9H2
• InChIKey: FLVCBWSEJMRELI-UHFFFAOYSA-N
• XLogP: 12.26
• TPSA: 578.57 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 46
• Rotatable Bonds: 26
• Heavy Atoms: 178
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2535.57
LogP ≤ 5	12.26
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	46

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'dyes5A(27)', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-[[1-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]-4-fluoro-3-methyl-3,6-dihydro-2H-pyridin-5-yl]methyl]methanesulfonamide;N-[[1-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]-4-fluoro-5-methyl-3,6-dihydro-2H-pyridin-3-yl]methyl]methanesulfonamide;2-[4-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]-1-methylpiperazin-2-yl]ethanol;8-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]-5-methyl-2,5,8-triazaspiro[3.5]nonane-2-sulfonamide;1-[4-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]piperidin-1-yl]ethanone;1-[6-[6-(trifluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]piperidine-3-carbonitrile?

The IUPAC name of N-[[1-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]-4-fluoro-3-methyl-3,6-dihydro-2H-pyridin-5-yl]methyl]methanesulfonamide;N-[[1-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]-4-fluoro-5-methyl-3,6-dihydro-2H-pyridin-3-yl]methyl]methanesulfonamide;2-[4-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]-1-methylpiperazin-2-yl]ethanol;8-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]-5-methyl-2,5,8-triazaspiro[3.5]nonane-2-sulfonamide;1-[4-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]piperidin-1-yl]ethanone;1-[6-[6-(trifluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]piperidine-3-carbonitrile (CID 158071083) is N-[[1-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]-4-fluoro-3-methyl-3,6-dihydro-2H-pyridin-5-yl]methyl]methanesulfonamide;N-[[1-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]-4-fluoro-5-methyl-3,6-dihydro-2H-pyridin-3-yl]methyl]methanesulfonamide;2-[4-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]-1-methylpiperazin-2-yl]ethanol;8-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]-5-methyl-2,5,8-triazaspiro[3.5]nonane-2-sulfonamide;1-[4-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]piperidin-1-yl]ethanone;1-[6-[6-(trifluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]piperidine-3-carbonitrile.

What is the SMILES notation for N-[[1-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]-4-fluoro-3-methyl-3,6-dihydro-2H-pyridin-5-yl]methyl]methanesulfonamide;N-[[1-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]-4-fluoro-5-methyl-3,6-dihydro-2H-pyridin-3-yl]methyl]methanesulfonamide;2-[4-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]-1-methylpiperazin-2-yl]ethanol;8-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]-5-methyl-2,5,8-triazaspiro[3.5]nonane-2-sulfonamide;1-[4-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]piperidin-1-yl]ethanone;1-[6-[6-(trifluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]piperidine-3-carbonitrile?

The canonical SMILES for N-[[1-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]-4-fluoro-3-methyl-3,6-dihydro-2H-pyridin-5-yl]methyl]methanesulfonamide;N-[[1-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]-4-fluoro-5-methyl-3,6-dihydro-2H-pyridin-3-yl]methyl]methanesulfonamide;2-[4-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]-1-methylpiperazin-2-yl]ethanol;8-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]-5-methyl-2,5,8-triazaspiro[3.5]nonane-2-sulfonamide;1-[4-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]piperidin-1-yl]ethanone;1-[6-[6-(trifluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]piperidine-3-carbonitrile is CC(=O)N1CCC(c2cc(-c3cnc4ccc(C(F)F)nn34)ncn2)CC1.CC1=C(F)C(CNS(C)(=O)=O)CN(c2cc(-c3cnc4ccc(C(F)F)nn34)ncn2)C1.CC1CN(c2cc(-c3cnc4ccc(C(F)F)nn34)ncn2)CC(CNS(C)(=O)=O)=C1F.CN1CCN(c2cc(-c3cnc4ccc(C(F)F)nn34)ncn2)CC12CN(S(N)(=O)=O)C2.CN1CCN(c2cc(-c3cnc4ccc(C(F)F)nn34)ncn2)CC1CCO.N#CC1CCCN(c2cc(-c3cnc4ccc(C(F)(F)F)nn34)ncn2)C1.

What is the InChIKey of N-[[1-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]-4-fluoro-3-methyl-3,6-dihydro-2H-pyridin-5-yl]methyl]methanesulfonamide;N-[[1-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]-4-fluoro-5-methyl-3,6-dihydro-2H-pyridin-3-yl]methyl]methanesulfonamide;2-[4-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]-1-methylpiperazin-2-yl]ethanol;8-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]-5-methyl-2,5,8-triazaspiro[3.5]nonane-2-sulfonamide;1-[4-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]piperidin-1-yl]ethanone;1-[6-[6-(trifluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]piperidine-3-carbonitrile?

The InChIKey is FLVCBWSEJMRELI-UHFFFAOYSA-N. The full InChI is InChI=1S/2C19H20F3N7O2S.C18H21F2N9O2S.C18H21F2N7O.C18H18F2N6O.C17H14F3N7/c2*1-11-8-28(9-12(18(11)20)6-26-32(2,30)31)17-5-14(24-10-25-17)15-7-23-16-4-3-13(19(21)22)27-29(15)16;1-26-4-5-27(8-18(26)9-28(10-18)32(21,30)31)16-6-13(23-11-24-16)14-7-22-15-3-2-12(17(19)20)25-29(14)15;1-25-5-6-26(10-12(25)4-7-28)17-8-14(22-11-23-17)15-9-21-16-3-2-13(18(19)20)24-27(15)16;1-11(27)25-6-4-12(5-7-25)14-8-15(23-10-22-14)16-9-21-17-3-2-13(18(19)20)24-26(16)17;18-17(19,20)14-3-4-15-22-8-13(27(15)25-14)12-6-16(24-10-23-12)26-5-1-2-11(7-21)9-26/h3-5,7,10,12,19,26H,6,8-9H2,1-2H3;3-5,7,10-11,19,26H,6,8-9H2,1-2H3;2-3,6-7,11,17H,4-5,8-10H2,1H3,(H2,21,30,31);2-3,8-9,11-12,18,28H,4-7,10H2,1H3;2-3,8-10,12,18H,4-7H2,1H3;3-4,6,8,10-11H,1-2,5,9H2.

What are the key properties of N-[[1-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]-4-fluoro-3-methyl-3,6-dihydro-2H-pyridin-5-yl]methyl]methanesulfonamide;N-[[1-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]-4-fluoro-5-methyl-3,6-dihydro-2H-pyridin-3-yl]methyl]methanesulfonamide;2-[4-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]-1-methylpiperazin-2-yl]ethanol;8-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]-5-methyl-2,5,8-triazaspiro[3.5]nonane-2-sulfonamide;1-[4-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]piperidin-1-yl]ethanone;1-[6-[6-(trifluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]piperidine-3-carbonitrile?

N-[[1-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]-4-fluoro-3-methyl-3,6-dihydro-2H-pyridin-5-yl]methyl]methanesulfonamide;N-[[1-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]-4-fluoro-5-methyl-3,6-dihydro-2H-pyridin-3-yl]methyl]methanesulfonamide;2-[4-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]-1-methylpiperazin-2-yl]ethanol;8-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]-5-methyl-2,5,8-triazaspiro[3.5]nonane-2-sulfonamide;1-[4-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]piperidin-1-yl]ethanone;1-[6-[6-(trifluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]piperidine-3-carbonitrile has a molecular weight of 2535.57 g/mol, XLogP of 12.26, 26 rotatable bonds, 4 hydrogen bond donors, and 46 hydrogen bond acceptors.

Where does this data come from?

All data for N-[[1-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]-4-fluoro-3-methyl-3,6-dihydro-2H-pyridin-5-yl]methyl]methanesulfonamide;N-[[1-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]-4-fluoro-5-methyl-3,6-dihydro-2H-pyridin-3-yl]methyl]methanesulfonamide;2-[4-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]-1-methylpiperazin-2-yl]ethanol;8-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]-5-methyl-2,5,8-triazaspiro[3.5]nonane-2-sulfonamide;1-[4-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]piperidin-1-yl]ethanone;1-[6-[6-(trifluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]piperidine-3-carbonitrile is sourced from PubChem (CID 158071083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).