N-[[1-[6-chloro-4-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]-2-pyridinyl]piperidin-3-yl]methyl]methanesulfonamide;N-[[1-[2-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]-6-(methylamino)-4-pyridinyl]piperidin-3-yl]methyl]methanesulfonamide;4-[4-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]-2-pyridinyl]piperazin-2-one;N-[[1-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]piperidin-3-yl]methyl]methanesulfonamide

C73H81ClF8N26O7S3 — CID 158501577

About N-[[1-[6-chloro-4-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]-2-pyridinyl]piperidin-3-yl]methyl]methanesulfonamide;N-[[1-[2-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]-6-(methylamino)-4-pyridinyl]piperidin-3-yl]methyl]methanesulfonamide;4-[4-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]-2-pyridinyl]piperazin-2-one;N-[[1-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]piperidin-3-yl]methyl]methanesulfonamide

N-[[1-[6-chloro-4-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]-2-pyridinyl]piperidin-3-yl]methyl]methanesulfonamide;N-[[1-[2-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]-6-(methylamino)-4-pyridinyl]piperidin-3-yl]methyl]methanesulfonamide;4-[4-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]-2-pyridinyl]piperazin-2-one;N-[[1-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]piperidin-3-yl]methyl]methanesulfonamide (PubChem CID 158501577) has the molecular formula C73H81ClF8N26O7S3 and a molecular weight of 1718.26 g/mol. Its IUPAC name is N-[[1-[6-chloro-4-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]-2-pyridinyl]piperidin-3-yl]methyl]methanesulfonamide;N-[[1-[2-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]-6-(methylamino)-4-pyridinyl]piperidin-3-yl]methyl]methanesulfonamide;4-[4-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]-2-pyridinyl]piperazin-2-one;N-[[1-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]piperidin-3-yl]methyl]methanesulfonamide.

Molecular Properties

• Compound Name: N-[[1-[6-chloro-4-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]-2-pyridinyl]piperidin-3-yl]methyl]methanesulfonamide;N-[[1-[2-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]-6-(methylamino)-4-pyridinyl]piperidin-3-yl]methyl]methanesulfonamide;4-[4-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]-2-pyridinyl]piperazin-2-one;N-[[1-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]piperidin-3-yl]methyl]methanesulfonamide
• PubChem CID: 158501577
• Molecular Formula: C73H81ClF8N26O7S3
• Molecular Weight: 1718.26 g/mol
• Exact Mass: 1716.55
• IUPAC Name: N-[[1-[6-chloro-4-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]-2-pyridinyl]piperidin-3-yl]methyl]methanesulfonamide;N-[[1-[2-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]-6-(methylamino)-4-pyridinyl]piperidin-3-yl]methyl]methanesulfonamide;4-[4-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]-2-pyridinyl]piperazin-2-one;N-[[1-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]piperidin-3-yl]methyl]methanesulfonamide
• SMILES: CNc1cc(N2CCCC(CNS(C)(=O)=O)C2)cc(-c2cnc3ccc(C(F)F)nn23)n1.CS(=O)(=O)NCC1CCCN(c2cc(-c3cnc4ccc(C(F)F)nn34)cc(Cl)n2)C1.CS(=O)(=O)NCC1CCCN(c2cc(-c3cnc4ccc(C(F)F)nn34)ncn2)C1.O=C1CN(c2cc(-c3cnc4ccc(C(F)F)nn34)ccn2)CCN1
• InChI: InChI=1S/C20H25F2N7O2S.C19H21ClF2N6O2S.C18H21F2N7O2S.C16H14F2N6O/c1-23-18-9-14(28-7-3-4-13(12-28)10-25-32(2,30)31)8-16(26-18)17-11-24-19-6-5-15(20(21)22)27-29(17)19;1-31(29,30)24-9-12-3-2-6-27(11-12)18-8-13(7-16(20)25-18)15-10-23-17-5-4-14(19(21)22)26-28(15)17;1-30(28,29)24-8-12-3-2-6-26(10-12)17-7-14(22-11-23-17)15-9-21-16-5-4-13(18(19)20)25-27(15)16;17-16(18)11-1-2-13-21-8-12(24(13)22-11)10-3-4-19-14(7-10)23-6-5-20-15(25)9-23/h5-6,8-9,11,13,20,25H,3-4,7,10,12H2,1-2H3,(H,23,26);4-5,7-8,10,12,19,24H,2-3,6,9,11H2,1H3;4-5,7,9,11-12,18,24H,2-3,6,8,10H2,1H3;1-4,7-8,16H,5-6,9H2,(H,20,25)
• InChIKey: HJYNJESSGRRODB-UHFFFAOYSA-N
• XLogP: 9.24
• TPSA: 377.81 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 29
• Rotatable Bonds: 22
• Heavy Atoms: 118
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1718.26
LogP ≤ 5	9.24
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	29

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-[[1-[6-chloro-4-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]-2-pyridinyl]piperidin-3-yl]methyl]methanesulfonamide;N-[[1-[2-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]-6-(methylamino)-4-pyridinyl]piperidin-3-yl]methyl]methanesulfonamide;4-[4-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]-2-pyridinyl]piperazin-2-one;N-[[1-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]piperidin-3-yl]methyl]methanesulfonamide?

The IUPAC name of N-[[1-[6-chloro-4-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]-2-pyridinyl]piperidin-3-yl]methyl]methanesulfonamide;N-[[1-[2-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]-6-(methylamino)-4-pyridinyl]piperidin-3-yl]methyl]methanesulfonamide;4-[4-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]-2-pyridinyl]piperazin-2-one;N-[[1-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]piperidin-3-yl]methyl]methanesulfonamide (CID 158501577) is N-[[1-[6-chloro-4-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]-2-pyridinyl]piperidin-3-yl]methyl]methanesulfonamide;N-[[1-[2-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]-6-(methylamino)-4-pyridinyl]piperidin-3-yl]methyl]methanesulfonamide;4-[4-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]-2-pyridinyl]piperazin-2-one;N-[[1-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]piperidin-3-yl]methyl]methanesulfonamide.

What is the SMILES notation for N-[[1-[6-chloro-4-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]-2-pyridinyl]piperidin-3-yl]methyl]methanesulfonamide;N-[[1-[2-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]-6-(methylamino)-4-pyridinyl]piperidin-3-yl]methyl]methanesulfonamide;4-[4-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]-2-pyridinyl]piperazin-2-one;N-[[1-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]piperidin-3-yl]methyl]methanesulfonamide?

The canonical SMILES for N-[[1-[6-chloro-4-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]-2-pyridinyl]piperidin-3-yl]methyl]methanesulfonamide;N-[[1-[2-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]-6-(methylamino)-4-pyridinyl]piperidin-3-yl]methyl]methanesulfonamide;4-[4-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]-2-pyridinyl]piperazin-2-one;N-[[1-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]piperidin-3-yl]methyl]methanesulfonamide is CNc1cc(N2CCCC(CNS(C)(=O)=O)C2)cc(-c2cnc3ccc(C(F)F)nn23)n1.CS(=O)(=O)NCC1CCCN(c2cc(-c3cnc4ccc(C(F)F)nn34)cc(Cl)n2)C1.CS(=O)(=O)NCC1CCCN(c2cc(-c3cnc4ccc(C(F)F)nn34)ncn2)C1.O=C1CN(c2cc(-c3cnc4ccc(C(F)F)nn34)ccn2)CCN1.

What is the InChIKey of N-[[1-[6-chloro-4-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]-2-pyridinyl]piperidin-3-yl]methyl]methanesulfonamide;N-[[1-[2-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]-6-(methylamino)-4-pyridinyl]piperidin-3-yl]methyl]methanesulfonamide;4-[4-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]-2-pyridinyl]piperazin-2-one;N-[[1-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]piperidin-3-yl]methyl]methanesulfonamide?

The InChIKey is HJYNJESSGRRODB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25F2N7O2S.C19H21ClF2N6O2S.C18H21F2N7O2S.C16H14F2N6O/c1-23-18-9-14(28-7-3-4-13(12-28)10-25-32(2,30)31)8-16(26-18)17-11-24-19-6-5-15(20(21)22)27-29(17)19;1-31(29,30)24-9-12-3-2-6-27(11-12)18-8-13(7-16(20)25-18)15-10-23-17-5-4-14(19(21)22)26-28(15)17;1-30(28,29)24-8-12-3-2-6-26(10-12)17-7-14(22-11-23-17)15-9-21-16-5-4-13(18(19)20)25-27(15)16;17-16(18)11-1-2-13-21-8-12(24(13)22-11)10-3-4-19-14(7-10)23-6-5-20-15(25)9-23/h5-6,8-9,11,13,20,25H,3-4,7,10,12H2,1-2H3,(H,23,26);4-5,7-8,10,12,19,24H,2-3,6,9,11H2,1H3;4-5,7,9,11-12,18,24H,2-3,6,8,10H2,1H3;1-4,7-8,16H,5-6,9H2,(H,20,25).

What are the key properties of N-[[1-[6-chloro-4-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]-2-pyridinyl]piperidin-3-yl]methyl]methanesulfonamide;N-[[1-[2-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]-6-(methylamino)-4-pyridinyl]piperidin-3-yl]methyl]methanesulfonamide;4-[4-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]-2-pyridinyl]piperazin-2-one;N-[[1-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]piperidin-3-yl]methyl]methanesulfonamide?

N-[[1-[6-chloro-4-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]-2-pyridinyl]piperidin-3-yl]methyl]methanesulfonamide;N-[[1-[2-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]-6-(methylamino)-4-pyridinyl]piperidin-3-yl]methyl]methanesulfonamide;4-[4-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]-2-pyridinyl]piperazin-2-one;N-[[1-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]piperidin-3-yl]methyl]methanesulfonamide has a molecular weight of 1718.26 g/mol, XLogP of 9.24, 22 rotatable bonds, 5 hydrogen bond donors, and 29 hydrogen bond acceptors.

Where does this data come from?

All data for N-[[1-[6-chloro-4-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]-2-pyridinyl]piperidin-3-yl]methyl]methanesulfonamide;N-[[1-[2-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]-6-(methylamino)-4-pyridinyl]piperidin-3-yl]methyl]methanesulfonamide;4-[4-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]-2-pyridinyl]piperazin-2-one;N-[[1-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]piperidin-3-yl]methyl]methanesulfonamide is sourced from PubChem (CID 158501577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).