3-bromo-N-[6-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]pyridazin-3-yl]benzamide;(6-methoxy-3-pyridinyl)boronic acid;3-(6-methoxy-3-pyridinyl)-N-[6-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]pyridazin-3-yl]benzamide;3-(6-oxo-1H-pyridin-3-yl)-N-[6-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]pyridazin-3-yl]benzamide

C77H54BBrF9N21O8 — CID 159725713

About 3-bromo-N-[6-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]pyridazin-3-yl]benzamide;(6-methoxy-3-pyridinyl)boronic acid;3-(6-methoxy-3-pyridinyl)-N-[6-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]pyridazin-3-yl]benzamide;3-(6-oxo-1H-pyridin-3-yl)-N-[6-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]pyridazin-3-yl]benzamide

3-bromo-N-[6-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]pyridazin-3-yl]benzamide;(6-methoxy-3-pyridinyl)boronic acid;3-(6-methoxy-3-pyridinyl)-N-[6-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]pyridazin-3-yl]benzamide;3-(6-oxo-1H-pyridin-3-yl)-N-[6-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]pyridazin-3-yl]benzamide (PubChem CID 159725713) has the molecular formula C77H54BBrF9N21O8 and a molecular weight of 1663.12 g/mol. Its IUPAC name is 3-bromo-N-[6-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]pyridazin-3-yl]benzamide;(6-methoxy-3-pyridinyl)boronic acid;3-(6-methoxy-3-pyridinyl)-N-[6-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]pyridazin-3-yl]benzamide;3-(6-oxo-1H-pyridin-3-yl)-N-[6-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]pyridazin-3-yl]benzamide.

Molecular Properties

• Compound Name: 3-bromo-N-[6-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]pyridazin-3-yl]benzamide;(6-methoxy-3-pyridinyl)boronic acid;3-(6-methoxy-3-pyridinyl)-N-[6-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]pyridazin-3-yl]benzamide;3-(6-oxo-1H-pyridin-3-yl)-N-[6-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]pyridazin-3-yl]benzamide
• PubChem CID: 159725713
• Molecular Formula: C77H54BBrF9N21O8
• Molecular Weight: 1663.12 g/mol
• Exact Mass: 1661.36
• IUPAC Name: 3-bromo-N-[6-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]pyridazin-3-yl]benzamide;(6-methoxy-3-pyridinyl)boronic acid;3-(6-methoxy-3-pyridinyl)-N-[6-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]pyridazin-3-yl]benzamide;3-(6-oxo-1H-pyridin-3-yl)-N-[6-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]pyridazin-3-yl]benzamide
• SMILES: COc1ccc(-c2cccc(C(=O)Nc3ccc(-n4nc(-c5cccnc5)cc4C(F)(F)F)nn3)c2)cn1.COc1ccc(B(O)O)cn1.O=C(Nc1ccc(-n2nc(-c3cccnc3)cc2C(F)(F)F)nn1)c1cccc(-c2ccc(=O)[nH]c2)c1.O=C(Nc1ccc(-n2nc(-c3cccnc3)cc2C(F)(F)F)nn1)c1cccc(Br)c1
• InChI: InChI=1S/C26H18F3N7O2.C25H16F3N7O2.C20H12BrF3N6O.C6H8BNO3/c1-38-24-10-7-18(15-31-24)16-4-2-5-17(12-16)25(37)32-22-8-9-23(34-33-22)36-21(26(27,28)29)13-20(35-36)19-6-3-11-30-14-19;26-25(27,28)20-12-19(18-5-2-10-29-13-18)34-35(20)22-8-7-21(32-33-22)31-24(37)16-4-1-3-15(11-16)17-6-9-23(36)30-14-17;21-14-5-1-3-12(9-14)19(31)26-17-6-7-18(28-27-17)30-16(20(22,23)24)10-15(29-30)13-4-2-8-25-11-13;1-11-6-3-2-5(4-8-6)7(9)10/h2-15H,1H3,(H,32,33,37);1-14H,(H,30,36)(H,31,32,37);1-11H,(H,26,27,31);2-4,9-10H,1H3
• InChIKey: NAPIRHKESYXWDI-UHFFFAOYSA-N
• XLogP: 12.94
• TPSA: 374.33 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 25
• Rotatable Bonds: 17
• Heavy Atoms: 117
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1663.12
LogP ≤ 5	12.94
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	25

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-[6-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]pyridazin-3-yl]benzamide;(6-methoxy-3-pyridinyl)boronic acid;3-(6-methoxy-3-pyridinyl)-N-[6-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]pyridazin-3-yl]benzamide;3-(6-oxo-1H-pyridin-3-yl)-N-[6-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]pyridazin-3-yl]benzamide?

The IUPAC name of 3-bromo-N-[6-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]pyridazin-3-yl]benzamide;(6-methoxy-3-pyridinyl)boronic acid;3-(6-methoxy-3-pyridinyl)-N-[6-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]pyridazin-3-yl]benzamide;3-(6-oxo-1H-pyridin-3-yl)-N-[6-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]pyridazin-3-yl]benzamide (CID 159725713) is 3-bromo-N-[6-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]pyridazin-3-yl]benzamide;(6-methoxy-3-pyridinyl)boronic acid;3-(6-methoxy-3-pyridinyl)-N-[6-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]pyridazin-3-yl]benzamide;3-(6-oxo-1H-pyridin-3-yl)-N-[6-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]pyridazin-3-yl]benzamide.

What is the SMILES notation for 3-bromo-N-[6-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]pyridazin-3-yl]benzamide;(6-methoxy-3-pyridinyl)boronic acid;3-(6-methoxy-3-pyridinyl)-N-[6-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]pyridazin-3-yl]benzamide;3-(6-oxo-1H-pyridin-3-yl)-N-[6-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]pyridazin-3-yl]benzamide?

The canonical SMILES for 3-bromo-N-[6-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]pyridazin-3-yl]benzamide;(6-methoxy-3-pyridinyl)boronic acid;3-(6-methoxy-3-pyridinyl)-N-[6-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]pyridazin-3-yl]benzamide;3-(6-oxo-1H-pyridin-3-yl)-N-[6-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]pyridazin-3-yl]benzamide is COc1ccc(-c2cccc(C(=O)Nc3ccc(-n4nc(-c5cccnc5)cc4C(F)(F)F)nn3)c2)cn1.COc1ccc(B(O)O)cn1.O=C(Nc1ccc(-n2nc(-c3cccnc3)cc2C(F)(F)F)nn1)c1cccc(-c2ccc(=O)[nH]c2)c1.O=C(Nc1ccc(-n2nc(-c3cccnc3)cc2C(F)(F)F)nn1)c1cccc(Br)c1.

What is the InChIKey of 3-bromo-N-[6-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]pyridazin-3-yl]benzamide;(6-methoxy-3-pyridinyl)boronic acid;3-(6-methoxy-3-pyridinyl)-N-[6-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]pyridazin-3-yl]benzamide;3-(6-oxo-1H-pyridin-3-yl)-N-[6-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]pyridazin-3-yl]benzamide?

The InChIKey is NAPIRHKESYXWDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H18F3N7O2.C25H16F3N7O2.C20H12BrF3N6O.C6H8BNO3/c1-38-24-10-7-18(15-31-24)16-4-2-5-17(12-16)25(37)32-22-8-9-23(34-33-22)36-21(26(27,28)29)13-20(35-36)19-6-3-11-30-14-19;26-25(27,28)20-12-19(18-5-2-10-29-13-18)34-35(20)22-8-7-21(32-33-22)31-24(37)16-4-1-3-15(11-16)17-6-9-23(36)30-14-17;21-14-5-1-3-12(9-14)19(31)26-17-6-7-18(28-27-17)30-16(20(22,23)24)10-15(29-30)13-4-2-8-25-11-13;1-11-6-3-2-5(4-8-6)7(9)10/h2-15H,1H3,(H,32,33,37);1-14H,(H,30,36)(H,31,32,37);1-11H,(H,26,27,31);2-4,9-10H,1H3.

What are the key properties of 3-bromo-N-[6-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]pyridazin-3-yl]benzamide;(6-methoxy-3-pyridinyl)boronic acid;3-(6-methoxy-3-pyridinyl)-N-[6-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]pyridazin-3-yl]benzamide;3-(6-oxo-1H-pyridin-3-yl)-N-[6-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]pyridazin-3-yl]benzamide?

3-bromo-N-[6-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]pyridazin-3-yl]benzamide;(6-methoxy-3-pyridinyl)boronic acid;3-(6-methoxy-3-pyridinyl)-N-[6-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]pyridazin-3-yl]benzamide;3-(6-oxo-1H-pyridin-3-yl)-N-[6-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]pyridazin-3-yl]benzamide has a molecular weight of 1663.12 g/mol, XLogP of 12.94, 17 rotatable bonds, 6 hydrogen bond donors, and 25 hydrogen bond acceptors.

Where does this data come from?

All data for 3-bromo-N-[6-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]pyridazin-3-yl]benzamide;(6-methoxy-3-pyridinyl)boronic acid;3-(6-methoxy-3-pyridinyl)-N-[6-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]pyridazin-3-yl]benzamide;3-(6-oxo-1H-pyridin-3-yl)-N-[6-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]pyridazin-3-yl]benzamide is sourced from PubChem (CID 159725713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).