N-[5-(3-but-1-ynylimidazo[1,2-b]pyridazin-6-yl)-2-methoxy-3-pyridinyl]-2,4-difluorobenzenesulfonamide;N-[2-chloro-5-(3-ethynylimidazo[1,2-b]pyridazin-6-yl)-3-pyridinyl]-4-fluorobenzenesulfonamide;N-[5-(3-ethynylimidazo[1,2-b]pyridazin-6-yl)-2-methoxy-3-pyridinyl]-2,4-difluorobenzenesulfonamide;4-fluoro-N-[2-methoxy-5-(3-prop-1-ynylimidazo[1,2-b]pyridazin-6-yl)-3-pyridinyl]benzenesulfonamide

C82H57ClF6N20O11S4 — CID 157328280

About N-[5-(3-but-1-ynylimidazo[1,2-b]pyridazin-6-yl)-2-methoxy-3-pyridinyl]-2,4-difluorobenzenesulfonamide;N-[2-chloro-5-(3-ethynylimidazo[1,2-b]pyridazin-6-yl)-3-pyridinyl]-4-fluorobenzenesulfonamide;N-[5-(3-ethynylimidazo[1,2-b]pyridazin-6-yl)-2-methoxy-3-pyridinyl]-2,4-difluorobenzenesulfonamide;4-fluoro-N-[2-methoxy-5-(3-prop-1-ynylimidazo[1,2-b]pyridazin-6-yl)-3-pyridinyl]benzenesulfonamide

N-[5-(3-but-1-ynylimidazo[1,2-b]pyridazin-6-yl)-2-methoxy-3-pyridinyl]-2,4-difluorobenzenesulfonamide;N-[2-chloro-5-(3-ethynylimidazo[1,2-b]pyridazin-6-yl)-3-pyridinyl]-4-fluorobenzenesulfonamide;N-[5-(3-ethynylimidazo[1,2-b]pyridazin-6-yl)-2-methoxy-3-pyridinyl]-2,4-difluorobenzenesulfonamide;4-fluoro-N-[2-methoxy-5-(3-prop-1-ynylimidazo[1,2-b]pyridazin-6-yl)-3-pyridinyl]benzenesulfonamide (PubChem CID 157328280) has the molecular formula C82H57ClF6N20O11S4 and a molecular weight of 1776.20 g/mol. Its IUPAC name is N-[5-(3-but-1-ynylimidazo[1,2-b]pyridazin-6-yl)-2-methoxy-3-pyridinyl]-2,4-difluorobenzenesulfonamide;N-[2-chloro-5-(3-ethynylimidazo[1,2-b]pyridazin-6-yl)-3-pyridinyl]-4-fluorobenzenesulfonamide;N-[5-(3-ethynylimidazo[1,2-b]pyridazin-6-yl)-2-methoxy-3-pyridinyl]-2,4-difluorobenzenesulfonamide;4-fluoro-N-[2-methoxy-5-(3-prop-1-ynylimidazo[1,2-b]pyridazin-6-yl)-3-pyridinyl]benzenesulfonamide.

Molecular Properties

• Compound Name: N-[5-(3-but-1-ynylimidazo[1,2-b]pyridazin-6-yl)-2-methoxy-3-pyridinyl]-2,4-difluorobenzenesulfonamide;N-[2-chloro-5-(3-ethynylimidazo[1,2-b]pyridazin-6-yl)-3-pyridinyl]-4-fluorobenzenesulfonamide;N-[5-(3-ethynylimidazo[1,2-b]pyridazin-6-yl)-2-methoxy-3-pyridinyl]-2,4-difluorobenzenesulfonamide;4-fluoro-N-[2-methoxy-5-(3-prop-1-ynylimidazo[1,2-b]pyridazin-6-yl)-3-pyridinyl]benzenesulfonamide
• PubChem CID: 157328280
• Molecular Formula: C82H57ClF6N20O11S4
• Molecular Weight: 1776.20 g/mol
• Exact Mass: 1774.30
• IUPAC Name: N-[5-(3-but-1-ynylimidazo[1,2-b]pyridazin-6-yl)-2-methoxy-3-pyridinyl]-2,4-difluorobenzenesulfonamide;N-[2-chloro-5-(3-ethynylimidazo[1,2-b]pyridazin-6-yl)-3-pyridinyl]-4-fluorobenzenesulfonamide;N-[5-(3-ethynylimidazo[1,2-b]pyridazin-6-yl)-2-methoxy-3-pyridinyl]-2,4-difluorobenzenesulfonamide;4-fluoro-N-[2-methoxy-5-(3-prop-1-ynylimidazo[1,2-b]pyridazin-6-yl)-3-pyridinyl]benzenesulfonamide
• SMILES: C#Cc1cnc2ccc(-c3cnc(Cl)c(NS(=O)(=O)c4ccc(F)cc4)c3)nn12.C#Cc1cnc2ccc(-c3cnc(OC)c(NS(=O)(=O)c4ccc(F)cc4F)c3)nn12.CC#Cc1cnc2ccc(-c3cnc(OC)c(NS(=O)(=O)c4ccc(F)cc4)c3)nn12.CCC#Cc1cnc2ccc(-c3cnc(OC)c(NS(=O)(=O)c4ccc(F)cc4F)c3)nn12
• InChI: InChI=1S/C22H17F2N5O3S.C21H16FN5O3S.C20H13F2N5O3S.C19H11ClFN5O2S/c1-3-4-5-16-13-25-21-9-7-18(27-29(16)21)14-10-19(22(32-2)26-12-14)28-33(30,31)20-8-6-15(23)11-17(20)24;1-3-4-16-13-23-20-10-9-18(25-27(16)20)14-11-19(21(30-2)24-12-14)26-31(28,29)17-7-5-15(22)6-8-17;1-3-14-11-23-19-7-5-16(25-27(14)19)12-8-17(20(30-2)24-10-12)26-31(28,29)18-6-4-13(21)9-15(18)22;1-2-14-11-22-18-8-7-16(24-26(14)18)12-9-17(19(20)23-10-12)25-29(27,28)15-5-3-13(21)4-6-15/h6-13,28H,3H2,1-2H3;5-13,26H,1-2H3;1,4-11,26H,2H3;1,3-11,25H
• InChIKey: BEZDXWQPVZROIH-UHFFFAOYSA-N
• XLogP: 12.98
• TPSA: 384.69 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 27
• Rotatable Bonds: 19
• Heavy Atoms: 124
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1776.20
LogP ≤ 5	12.98
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	27

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-[5-(3-but-1-ynylimidazo[1,2-b]pyridazin-6-yl)-2-methoxy-3-pyridinyl]-2,4-difluorobenzenesulfonamide;N-[2-chloro-5-(3-ethynylimidazo[1,2-b]pyridazin-6-yl)-3-pyridinyl]-4-fluorobenzenesulfonamide;N-[5-(3-ethynylimidazo[1,2-b]pyridazin-6-yl)-2-methoxy-3-pyridinyl]-2,4-difluorobenzenesulfonamide;4-fluoro-N-[2-methoxy-5-(3-prop-1-ynylimidazo[1,2-b]pyridazin-6-yl)-3-pyridinyl]benzenesulfonamide?

The IUPAC name of N-[5-(3-but-1-ynylimidazo[1,2-b]pyridazin-6-yl)-2-methoxy-3-pyridinyl]-2,4-difluorobenzenesulfonamide;N-[2-chloro-5-(3-ethynylimidazo[1,2-b]pyridazin-6-yl)-3-pyridinyl]-4-fluorobenzenesulfonamide;N-[5-(3-ethynylimidazo[1,2-b]pyridazin-6-yl)-2-methoxy-3-pyridinyl]-2,4-difluorobenzenesulfonamide;4-fluoro-N-[2-methoxy-5-(3-prop-1-ynylimidazo[1,2-b]pyridazin-6-yl)-3-pyridinyl]benzenesulfonamide (CID 157328280) is N-[5-(3-but-1-ynylimidazo[1,2-b]pyridazin-6-yl)-2-methoxy-3-pyridinyl]-2,4-difluorobenzenesulfonamide;N-[2-chloro-5-(3-ethynylimidazo[1,2-b]pyridazin-6-yl)-3-pyridinyl]-4-fluorobenzenesulfonamide;N-[5-(3-ethynylimidazo[1,2-b]pyridazin-6-yl)-2-methoxy-3-pyridinyl]-2,4-difluorobenzenesulfonamide;4-fluoro-N-[2-methoxy-5-(3-prop-1-ynylimidazo[1,2-b]pyridazin-6-yl)-3-pyridinyl]benzenesulfonamide.

What is the SMILES notation for N-[5-(3-but-1-ynylimidazo[1,2-b]pyridazin-6-yl)-2-methoxy-3-pyridinyl]-2,4-difluorobenzenesulfonamide;N-[2-chloro-5-(3-ethynylimidazo[1,2-b]pyridazin-6-yl)-3-pyridinyl]-4-fluorobenzenesulfonamide;N-[5-(3-ethynylimidazo[1,2-b]pyridazin-6-yl)-2-methoxy-3-pyridinyl]-2,4-difluorobenzenesulfonamide;4-fluoro-N-[2-methoxy-5-(3-prop-1-ynylimidazo[1,2-b]pyridazin-6-yl)-3-pyridinyl]benzenesulfonamide?

The canonical SMILES for N-[5-(3-but-1-ynylimidazo[1,2-b]pyridazin-6-yl)-2-methoxy-3-pyridinyl]-2,4-difluorobenzenesulfonamide;N-[2-chloro-5-(3-ethynylimidazo[1,2-b]pyridazin-6-yl)-3-pyridinyl]-4-fluorobenzenesulfonamide;N-[5-(3-ethynylimidazo[1,2-b]pyridazin-6-yl)-2-methoxy-3-pyridinyl]-2,4-difluorobenzenesulfonamide;4-fluoro-N-[2-methoxy-5-(3-prop-1-ynylimidazo[1,2-b]pyridazin-6-yl)-3-pyridinyl]benzenesulfonamide is C#Cc1cnc2ccc(-c3cnc(Cl)c(NS(=O)(=O)c4ccc(F)cc4)c3)nn12.C#Cc1cnc2ccc(-c3cnc(OC)c(NS(=O)(=O)c4ccc(F)cc4F)c3)nn12.CC#Cc1cnc2ccc(-c3cnc(OC)c(NS(=O)(=O)c4ccc(F)cc4)c3)nn12.CCC#Cc1cnc2ccc(-c3cnc(OC)c(NS(=O)(=O)c4ccc(F)cc4F)c3)nn12.

What is the InChIKey of N-[5-(3-but-1-ynylimidazo[1,2-b]pyridazin-6-yl)-2-methoxy-3-pyridinyl]-2,4-difluorobenzenesulfonamide;N-[2-chloro-5-(3-ethynylimidazo[1,2-b]pyridazin-6-yl)-3-pyridinyl]-4-fluorobenzenesulfonamide;N-[5-(3-ethynylimidazo[1,2-b]pyridazin-6-yl)-2-methoxy-3-pyridinyl]-2,4-difluorobenzenesulfonamide;4-fluoro-N-[2-methoxy-5-(3-prop-1-ynylimidazo[1,2-b]pyridazin-6-yl)-3-pyridinyl]benzenesulfonamide?

The InChIKey is BEZDXWQPVZROIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17F2N5O3S.C21H16FN5O3S.C20H13F2N5O3S.C19H11ClFN5O2S/c1-3-4-5-16-13-25-21-9-7-18(27-29(16)21)14-10-19(22(32-2)26-12-14)28-33(30,31)20-8-6-15(23)11-17(20)24;1-3-4-16-13-23-20-10-9-18(25-27(16)20)14-11-19(21(30-2)24-12-14)26-31(28,29)17-7-5-15(22)6-8-17;1-3-14-11-23-19-7-5-16(25-27(14)19)12-8-17(20(30-2)24-10-12)26-31(28,29)18-6-4-13(21)9-15(18)22;1-2-14-11-22-18-8-7-16(24-26(14)18)12-9-17(19(20)23-10-12)25-29(27,28)15-5-3-13(21)4-6-15/h6-13,28H,3H2,1-2H3;5-13,26H,1-2H3;1,4-11,26H,2H3;1,3-11,25H.

What are the key properties of N-[5-(3-but-1-ynylimidazo[1,2-b]pyridazin-6-yl)-2-methoxy-3-pyridinyl]-2,4-difluorobenzenesulfonamide;N-[2-chloro-5-(3-ethynylimidazo[1,2-b]pyridazin-6-yl)-3-pyridinyl]-4-fluorobenzenesulfonamide;N-[5-(3-ethynylimidazo[1,2-b]pyridazin-6-yl)-2-methoxy-3-pyridinyl]-2,4-difluorobenzenesulfonamide;4-fluoro-N-[2-methoxy-5-(3-prop-1-ynylimidazo[1,2-b]pyridazin-6-yl)-3-pyridinyl]benzenesulfonamide?

N-[5-(3-but-1-ynylimidazo[1,2-b]pyridazin-6-yl)-2-methoxy-3-pyridinyl]-2,4-difluorobenzenesulfonamide;N-[2-chloro-5-(3-ethynylimidazo[1,2-b]pyridazin-6-yl)-3-pyridinyl]-4-fluorobenzenesulfonamide;N-[5-(3-ethynylimidazo[1,2-b]pyridazin-6-yl)-2-methoxy-3-pyridinyl]-2,4-difluorobenzenesulfonamide;4-fluoro-N-[2-methoxy-5-(3-prop-1-ynylimidazo[1,2-b]pyridazin-6-yl)-3-pyridinyl]benzenesulfonamide has a molecular weight of 1776.20 g/mol, XLogP of 12.98, 19 rotatable bonds, 4 hydrogen bond donors, and 27 hydrogen bond acceptors.

Where does this data come from?

All data for N-[5-(3-but-1-ynylimidazo[1,2-b]pyridazin-6-yl)-2-methoxy-3-pyridinyl]-2,4-difluorobenzenesulfonamide;N-[2-chloro-5-(3-ethynylimidazo[1,2-b]pyridazin-6-yl)-3-pyridinyl]-4-fluorobenzenesulfonamide;N-[5-(3-ethynylimidazo[1,2-b]pyridazin-6-yl)-2-methoxy-3-pyridinyl]-2,4-difluorobenzenesulfonamide;4-fluoro-N-[2-methoxy-5-(3-prop-1-ynylimidazo[1,2-b]pyridazin-6-yl)-3-pyridinyl]benzenesulfonamide is sourced from PubChem (CID 157328280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).