4-bromo-N-[6-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]pyridazin-3-yl]benzamide;3-methoxy-N-[5-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]pyrazin-2-yl]benzamide;4-methoxy-N-[6-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]pyridazin-3-yl]benzamide;N-[4-(methylamino)-4-oxobutyl]-4-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]benzamide;N-[5-(methylamino)-5-oxopentyl]-4-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]benzamide;N-[5-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]pyrazin-2-yl]naphthalene-1-carboxamide;N-[6-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]pyridazin-3-yl]oxane-4-carboxamide

C148H116BrF21N40O12 — CID 159304904

About 4-bromo-N-[6-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]pyridazin-3-yl]benzamide;3-methoxy-N-[5-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]pyrazin-2-yl]benzamide;4-methoxy-N-[6-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]pyridazin-3-yl]benzamide;N-[4-(methylamino)-4-oxobutyl]-4-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]benzamide;N-[5-(methylamino)-5-oxopentyl]-4-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]benzamide;N-[5-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]pyrazin-2-yl]naphthalene-1-carboxamide;N-[6-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]pyridazin-3-yl]oxane-4-carboxamide

4-bromo-N-[6-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]pyridazin-3-yl]benzamide;3-methoxy-N-[5-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]pyrazin-2-yl]benzamide;4-methoxy-N-[6-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]pyridazin-3-yl]benzamide;N-[4-(methylamino)-4-oxobutyl]-4-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]benzamide;N-[5-(methylamino)-5-oxopentyl]-4-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]benzamide;N-[5-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]pyrazin-2-yl]naphthalene-1-carboxamide;N-[6-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]pyridazin-3-yl]oxane-4-carboxamide (PubChem CID 159304904) has the molecular formula C148H116BrF21N40O12 and a molecular weight of 3125.69 g/mol. Its IUPAC name is 4-bromo-N-[6-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]pyridazin-3-yl]benzamide;3-methoxy-N-[5-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]pyrazin-2-yl]benzamide;4-methoxy-N-[6-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]pyridazin-3-yl]benzamide;N-[4-(methylamino)-4-oxobutyl]-4-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]benzamide;N-[5-(methylamino)-5-oxopentyl]-4-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]benzamide;N-[5-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]pyrazin-2-yl]naphthalene-1-carboxamide;N-[6-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]pyridazin-3-yl]oxane-4-carboxamide.

Molecular Properties

• Compound Name: 4-bromo-N-[6-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]pyridazin-3-yl]benzamide;3-methoxy-N-[5-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]pyrazin-2-yl]benzamide;4-methoxy-N-[6-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]pyridazin-3-yl]benzamide;N-[4-(methylamino)-4-oxobutyl]-4-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]benzamide;N-[5-(methylamino)-5-oxopentyl]-4-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]benzamide;N-[5-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]pyrazin-2-yl]naphthalene-1-carboxamide;N-[6-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]pyridazin-3-yl]oxane-4-carboxamide
• PubChem CID: 159304904
• Molecular Formula: C148H116BrF21N40O12
• Molecular Weight: 3125.69 g/mol
• Exact Mass: 3122.85
• IUPAC Name: 4-bromo-N-[6-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]pyridazin-3-yl]benzamide;3-methoxy-N-[5-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]pyrazin-2-yl]benzamide;4-methoxy-N-[6-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]pyridazin-3-yl]benzamide;N-[4-(methylamino)-4-oxobutyl]-4-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]benzamide;N-[5-(methylamino)-5-oxopentyl]-4-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]benzamide;N-[5-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]pyrazin-2-yl]naphthalene-1-carboxamide;N-[6-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]pyridazin-3-yl]oxane-4-carboxamide
• SMILES: CNC(=O)CCCCNC(=O)c1ccc(-n2nc(-c3cccnc3)cc2C(F)(F)F)cc1.CNC(=O)CCCNC(=O)c1ccc(-n2nc(-c3cccnc3)cc2C(F)(F)F)cc1.COc1ccc(C(=O)Nc2ccc(-n3nc(-c4cccnc4)cc3C(F)(F)F)nn2)cc1.COc1cccc(C(=O)Nc2cnc(-n3nc(-c4cccnc4)cc3C(F)(F)F)cn2)c1.O=C(Nc1ccc(-n2nc(-c3cccnc3)cc2C(F)(F)F)nn1)C1CCOCC1.O=C(Nc1ccc(-n2nc(-c3cccnc3)cc2C(F)(F)F)nn1)c1ccc(Br)cc1.O=C(Nc1cnc(-n2nc(-c3cccnc3)cc2C(F)(F)F)cn1)c1cccc2ccccc12
• InChI: InChI=1S/C24H15F3N6O.C22H22F3N5O2.2C21H15F3N6O2.C21H20F3N5O2.C20H12BrF3N6O.C19H17F3N6O2/c25-24(26,27)20-11-19(16-7-4-10-28-12-16)32-33(20)22-14-29-21(13-30-22)31-23(34)18-9-3-6-15-5-1-2-8-17(15)18;1-26-20(31)6-2-3-12-28-21(32)15-7-9-17(10-8-15)30-19(22(23,24)25)13-18(29-30)16-5-4-11-27-14-16;1-32-15-6-2-4-13(8-15)20(31)28-18-11-27-19(12-26-18)30-17(21(22,23)24)9-16(29-30)14-5-3-7-25-10-14;1-32-15-6-4-13(5-7-15)20(31)26-18-8-9-19(28-27-18)30-17(21(22,23)24)11-16(29-30)14-3-2-10-25-12-14;1-25-19(30)5-3-11-27-20(31)14-6-8-16(9-7-14)29-18(21(22,23)24)12-17(28-29)15-4-2-10-26-13-15;21-14-5-3-12(4-6-14)19(31)26-17-7-8-18(28-27-17)30-16(20(22,23)24)10-15(29-30)13-2-1-9-25-11-13;20-19(21,22)15-10-14(13-2-1-7-23-11-13)27-28(15)17-4-3-16(25-26-17)24-18(29)12-5-8-30-9-6-12/h1-14H,(H,29,31,34);4-5,7-11,13-14H,2-3,6,12H2,1H3,(H,26,31)(H,28,32);2-12H,1H3,(H,26,28,31);2-12H,1H3,(H,26,27,31);2,4,6-10,12-13H,3,5,11H2,1H3,(H,25,30)(H,27,31);1-11H,(H,26,27,31);1-4,7,10-12H,5-6,8-9H2,(H,24,25,29)
• InChIKey: LBUJHUFBWWDMKT-UHFFFAOYSA-N
• XLogP: 27.83
• TPSA: 633.46 Ų
• H-Bond Donors: 9
• H-Bond Acceptors: 43
• Rotatable Bonds: 37
• Heavy Atoms: 222
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	3125.69
LogP ≤ 5	27.83
H-Bond Donors ≤ 5	9
H-Bond Acceptors ≤ 10	43

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-[6-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]pyridazin-3-yl]benzamide;3-methoxy-N-[5-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]pyrazin-2-yl]benzamide;4-methoxy-N-[6-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]pyridazin-3-yl]benzamide;N-[4-(methylamino)-4-oxobutyl]-4-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]benzamide;N-[5-(methylamino)-5-oxopentyl]-4-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]benzamide;N-[5-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]pyrazin-2-yl]naphthalene-1-carboxamide;N-[6-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]pyridazin-3-yl]oxane-4-carboxamide?

The IUPAC name of 4-bromo-N-[6-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]pyridazin-3-yl]benzamide;3-methoxy-N-[5-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]pyrazin-2-yl]benzamide;4-methoxy-N-[6-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]pyridazin-3-yl]benzamide;N-[4-(methylamino)-4-oxobutyl]-4-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]benzamide;N-[5-(methylamino)-5-oxopentyl]-4-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]benzamide;N-[5-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]pyrazin-2-yl]naphthalene-1-carboxamide;N-[6-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]pyridazin-3-yl]oxane-4-carboxamide (CID 159304904) is 4-bromo-N-[6-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]pyridazin-3-yl]benzamide;3-methoxy-N-[5-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]pyrazin-2-yl]benzamide;4-methoxy-N-[6-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]pyridazin-3-yl]benzamide;N-[4-(methylamino)-4-oxobutyl]-4-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]benzamide;N-[5-(methylamino)-5-oxopentyl]-4-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]benzamide;N-[5-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]pyrazin-2-yl]naphthalene-1-carboxamide;N-[6-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]pyridazin-3-yl]oxane-4-carboxamide.

What is the SMILES notation for 4-bromo-N-[6-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]pyridazin-3-yl]benzamide;3-methoxy-N-[5-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]pyrazin-2-yl]benzamide;4-methoxy-N-[6-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]pyridazin-3-yl]benzamide;N-[4-(methylamino)-4-oxobutyl]-4-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]benzamide;N-[5-(methylamino)-5-oxopentyl]-4-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]benzamide;N-[5-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]pyrazin-2-yl]naphthalene-1-carboxamide;N-[6-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]pyridazin-3-yl]oxane-4-carboxamide?

The canonical SMILES for 4-bromo-N-[6-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]pyridazin-3-yl]benzamide;3-methoxy-N-[5-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]pyrazin-2-yl]benzamide;4-methoxy-N-[6-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]pyridazin-3-yl]benzamide;N-[4-(methylamino)-4-oxobutyl]-4-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]benzamide;N-[5-(methylamino)-5-oxopentyl]-4-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]benzamide;N-[5-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]pyrazin-2-yl]naphthalene-1-carboxamide;N-[6-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]pyridazin-3-yl]oxane-4-carboxamide is CNC(=O)CCCCNC(=O)c1ccc(-n2nc(-c3cccnc3)cc2C(F)(F)F)cc1.CNC(=O)CCCNC(=O)c1ccc(-n2nc(-c3cccnc3)cc2C(F)(F)F)cc1.COc1ccc(C(=O)Nc2ccc(-n3nc(-c4cccnc4)cc3C(F)(F)F)nn2)cc1.COc1cccc(C(=O)Nc2cnc(-n3nc(-c4cccnc4)cc3C(F)(F)F)cn2)c1.O=C(Nc1ccc(-n2nc(-c3cccnc3)cc2C(F)(F)F)nn1)C1CCOCC1.O=C(Nc1ccc(-n2nc(-c3cccnc3)cc2C(F)(F)F)nn1)c1ccc(Br)cc1.O=C(Nc1cnc(-n2nc(-c3cccnc3)cc2C(F)(F)F)cn1)c1cccc2ccccc12.

What is the InChIKey of 4-bromo-N-[6-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]pyridazin-3-yl]benzamide;3-methoxy-N-[5-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]pyrazin-2-yl]benzamide;4-methoxy-N-[6-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]pyridazin-3-yl]benzamide;N-[4-(methylamino)-4-oxobutyl]-4-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]benzamide;N-[5-(methylamino)-5-oxopentyl]-4-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]benzamide;N-[5-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]pyrazin-2-yl]naphthalene-1-carboxamide;N-[6-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]pyridazin-3-yl]oxane-4-carboxamide?

The InChIKey is LBUJHUFBWWDMKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H15F3N6O.C22H22F3N5O2.2C21H15F3N6O2.C21H20F3N5O2.C20H12BrF3N6O.C19H17F3N6O2/c25-24(26,27)20-11-19(16-7-4-10-28-12-16)32-33(20)22-14-29-21(13-30-22)31-23(34)18-9-3-6-15-5-1-2-8-17(15)18;1-26-20(31)6-2-3-12-28-21(32)15-7-9-17(10-8-15)30-19(22(23,24)25)13-18(29-30)16-5-4-11-27-14-16;1-32-15-6-2-4-13(8-15)20(31)28-18-11-27-19(12-26-18)30-17(21(22,23)24)9-16(29-30)14-5-3-7-25-10-14;1-32-15-6-4-13(5-7-15)20(31)26-18-8-9-19(28-27-18)30-17(21(22,23)24)11-16(29-30)14-3-2-10-25-12-14;1-25-19(30)5-3-11-27-20(31)14-6-8-16(9-7-14)29-18(21(22,23)24)12-17(28-29)15-4-2-10-26-13-15;21-14-5-3-12(4-6-14)19(31)26-17-7-8-18(28-27-17)30-16(20(22,23)24)10-15(29-30)13-2-1-9-25-11-13;20-19(21,22)15-10-14(13-2-1-7-23-11-13)27-28(15)17-4-3-16(25-26-17)24-18(29)12-5-8-30-9-6-12/h1-14H,(H,29,31,34);4-5,7-11,13-14H,2-3,6,12H2,1H3,(H,26,31)(H,28,32);2-12H,1H3,(H,26,28,31);2-12H,1H3,(H,26,27,31);2,4,6-10,12-13H,3,5,11H2,1H3,(H,25,30)(H,27,31);1-11H,(H,26,27,31);1-4,7,10-12H,5-6,8-9H2,(H,24,25,29).

What are the key properties of 4-bromo-N-[6-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]pyridazin-3-yl]benzamide;3-methoxy-N-[5-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]pyrazin-2-yl]benzamide;4-methoxy-N-[6-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]pyridazin-3-yl]benzamide;N-[4-(methylamino)-4-oxobutyl]-4-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]benzamide;N-[5-(methylamino)-5-oxopentyl]-4-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]benzamide;N-[5-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]pyrazin-2-yl]naphthalene-1-carboxamide;N-[6-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]pyridazin-3-yl]oxane-4-carboxamide?

4-bromo-N-[6-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]pyridazin-3-yl]benzamide;3-methoxy-N-[5-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]pyrazin-2-yl]benzamide;4-methoxy-N-[6-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]pyridazin-3-yl]benzamide;N-[4-(methylamino)-4-oxobutyl]-4-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]benzamide;N-[5-(methylamino)-5-oxopentyl]-4-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]benzamide;N-[5-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]pyrazin-2-yl]naphthalene-1-carboxamide;N-[6-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]pyridazin-3-yl]oxane-4-carboxamide has a molecular weight of 3125.69 g/mol, XLogP of 27.83, 37 rotatable bonds, 9 hydrogen bond donors, and 43 hydrogen bond acceptors.

Where does this data come from?

All data for 4-bromo-N-[6-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]pyridazin-3-yl]benzamide;3-methoxy-N-[5-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]pyrazin-2-yl]benzamide;4-methoxy-N-[6-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]pyridazin-3-yl]benzamide;N-[4-(methylamino)-4-oxobutyl]-4-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]benzamide;N-[5-(methylamino)-5-oxopentyl]-4-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]benzamide;N-[5-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]pyrazin-2-yl]naphthalene-1-carboxamide;N-[6-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]pyridazin-3-yl]oxane-4-carboxamide is sourced from PubChem (CID 159304904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).