N-[5-(2-amino-3-pyridin-4-ylimidazo[1,2-b]pyridazin-6-yl)-2-chloro-3-pyridinyl]-3-(difluoromethoxy)benzenesulfonamide;2,2,2-trifluoroacetic acid

C25H17ClF5N7O5S — CID 87456160

About N-[5-(2-amino-3-pyridin-4-ylimidazo[1,2-b]pyridazin-6-yl)-2-chloro-3-pyridinyl]-3-(difluoromethoxy)benzenesulfonamide;2,2,2-trifluoroacetic acid

N-[5-(2-amino-3-pyridin-4-ylimidazo[1,2-b]pyridazin-6-yl)-2-chloro-3-pyridinyl]-3-(difluoromethoxy)benzenesulfonamide;2,2,2-trifluoroacetic acid (PubChem CID 87456160) has the molecular formula C25H17ClF5N7O5S and a molecular weight of 657.97 g/mol. Its IUPAC name is N-[5-(2-amino-3-pyridin-4-ylimidazo[1,2-b]pyridazin-6-yl)-2-chloro-3-pyridinyl]-3-(difluoromethoxy)benzenesulfonamide;2,2,2-trifluoroacetic acid.

Molecular Properties

• Compound Name: N-[5-(2-amino-3-pyridin-4-ylimidazo[1,2-b]pyridazin-6-yl)-2-chloro-3-pyridinyl]-3-(difluoromethoxy)benzenesulfonamide;2,2,2-trifluoroacetic acid
• PubChem CID: 87456160
• Molecular Formula: C25H17ClF5N7O5S
• Molecular Weight: 657.97 g/mol
• Exact Mass: 657.06
• IUPAC Name: N-[5-(2-amino-3-pyridin-4-ylimidazo[1,2-b]pyridazin-6-yl)-2-chloro-3-pyridinyl]-3-(difluoromethoxy)benzenesulfonamide;2,2,2-trifluoroacetic acid
• SMILES: Nc1nc2ccc(-c3cnc(Cl)c(NS(=O)(=O)c4cccc(OC(F)F)c4)c3)nn2c1-c1ccncc1.O=C(O)C(F)(F)F
• InChI: InChI=1S/C23H16ClF2N7O3S.C2HF3O2/c24-21-18(32-37(34,35)16-3-1-2-15(11-16)36-23(25)26)10-14(12-29-21)17-4-5-19-30-22(27)20(33(19)31-17)13-6-8-28-9-7-13;3-2(4,5)1(6)7/h1-12,23,32H,27H2;(H,6,7)
• InChIKey: ARGHUJDASKBLGY-UHFFFAOYSA-N
• XLogP: 5.12
• TPSA: 174.69 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 10
• Rotatable Bonds: 7
• Heavy Atoms: 44
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	657.97
LogP ≤ 5	5.12
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	10

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-[5-(2-amino-3-pyridin-4-ylimidazo[1,2-b]pyridazin-6-yl)-2-chloro-3-pyridinyl]-3-(difluoromethoxy)benzenesulfonamide;2,2,2-trifluoroacetic acid?

The IUPAC name of N-[5-(2-amino-3-pyridin-4-ylimidazo[1,2-b]pyridazin-6-yl)-2-chloro-3-pyridinyl]-3-(difluoromethoxy)benzenesulfonamide;2,2,2-trifluoroacetic acid (CID 87456160) is N-[5-(2-amino-3-pyridin-4-ylimidazo[1,2-b]pyridazin-6-yl)-2-chloro-3-pyridinyl]-3-(difluoromethoxy)benzenesulfonamide;2,2,2-trifluoroacetic acid.

What is the SMILES notation for N-[5-(2-amino-3-pyridin-4-ylimidazo[1,2-b]pyridazin-6-yl)-2-chloro-3-pyridinyl]-3-(difluoromethoxy)benzenesulfonamide;2,2,2-trifluoroacetic acid?

The canonical SMILES for N-[5-(2-amino-3-pyridin-4-ylimidazo[1,2-b]pyridazin-6-yl)-2-chloro-3-pyridinyl]-3-(difluoromethoxy)benzenesulfonamide;2,2,2-trifluoroacetic acid is Nc1nc2ccc(-c3cnc(Cl)c(NS(=O)(=O)c4cccc(OC(F)F)c4)c3)nn2c1-c1ccncc1.O=C(O)C(F)(F)F.

What is the InChIKey of N-[5-(2-amino-3-pyridin-4-ylimidazo[1,2-b]pyridazin-6-yl)-2-chloro-3-pyridinyl]-3-(difluoromethoxy)benzenesulfonamide;2,2,2-trifluoroacetic acid?

The InChIKey is ARGHUJDASKBLGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H16ClF2N7O3S.C2HF3O2/c24-21-18(32-37(34,35)16-3-1-2-15(11-16)36-23(25)26)10-14(12-29-21)17-4-5-19-30-22(27)20(33(19)31-17)13-6-8-28-9-7-13;3-2(4,5)1(6)7/h1-12,23,32H,27H2;(H,6,7).

What are the key properties of N-[5-(2-amino-3-pyridin-4-ylimidazo[1,2-b]pyridazin-6-yl)-2-chloro-3-pyridinyl]-3-(difluoromethoxy)benzenesulfonamide;2,2,2-trifluoroacetic acid?

N-[5-(2-amino-3-pyridin-4-ylimidazo[1,2-b]pyridazin-6-yl)-2-chloro-3-pyridinyl]-3-(difluoromethoxy)benzenesulfonamide;2,2,2-trifluoroacetic acid has a molecular weight of 657.97 g/mol, XLogP of 5.12, 7 rotatable bonds, 3 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for N-[5-(2-amino-3-pyridin-4-ylimidazo[1,2-b]pyridazin-6-yl)-2-chloro-3-pyridinyl]-3-(difluoromethoxy)benzenesulfonamide;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 87456160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).