3-bromo-N-[6-[3-(oxan-4-yl)-5-(trifluoromethyl)pyrazol-1-yl]pyridazin-3-yl]benzamide;3-cyano-N-[6-[3-(oxan-4-yl)-5-(trifluoromethyl)pyrazol-1-yl]pyridazin-3-yl]benzamide;1-(2-ethoxyethyl)-6-oxo-N-[6-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]pyridazin-3-yl]pyridine-3-carboxamide;6-(2-morpholin-4-ylethoxy)-N-[5-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]-2-pyridinyl]pyridine-3-carboxamide;3-morpholin-4-yl-N-[6-[3-(oxan-4-yl)-5-(trifluoromethyl)pyrazol-1-yl]pyridazin-3-yl]benzamide;1-N-pyridin-4-yl-3-N-[5-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]-2-pyridinyl]benzene-1,3-dicarboxamide

C141H121BrF18N38O15 — CID 158033429

About 3-bromo-N-[6-[3-(oxan-4-yl)-5-(trifluoromethyl)pyrazol-1-yl]pyridazin-3-yl]benzamide;3-cyano-N-[6-[3-(oxan-4-yl)-5-(trifluoromethyl)pyrazol-1-yl]pyridazin-3-yl]benzamide;1-(2-ethoxyethyl)-6-oxo-N-[6-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]pyridazin-3-yl]pyridine-3-carboxamide;6-(2-morpholin-4-ylethoxy)-N-[5-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]-2-pyridinyl]pyridine-3-carboxamide;3-morpholin-4-yl-N-[6-[3-(oxan-4-yl)-5-(trifluoromethyl)pyrazol-1-yl]pyridazin-3-yl]benzamide;1-N-pyridin-4-yl-3-N-[5-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]-2-pyridinyl]benzene-1,3-dicarboxamide

3-bromo-N-[6-[3-(oxan-4-yl)-5-(trifluoromethyl)pyrazol-1-yl]pyridazin-3-yl]benzamide;3-cyano-N-[6-[3-(oxan-4-yl)-5-(trifluoromethyl)pyrazol-1-yl]pyridazin-3-yl]benzamide;1-(2-ethoxyethyl)-6-oxo-N-[6-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]pyridazin-3-yl]pyridine-3-carboxamide;6-(2-morpholin-4-ylethoxy)-N-[5-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]-2-pyridinyl]pyridine-3-carboxamide;3-morpholin-4-yl-N-[6-[3-(oxan-4-yl)-5-(trifluoromethyl)pyrazol-1-yl]pyridazin-3-yl]benzamide;1-N-pyridin-4-yl-3-N-[5-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]-2-pyridinyl]benzene-1,3-dicarboxamide (PubChem CID 158033429) has the molecular formula C141H121BrF18N38O15 and a molecular weight of 3009.64 g/mol. Its IUPAC name is 3-bromo-N-[6-[3-(oxan-4-yl)-5-(trifluoromethyl)pyrazol-1-yl]pyridazin-3-yl]benzamide;3-cyano-N-[6-[3-(oxan-4-yl)-5-(trifluoromethyl)pyrazol-1-yl]pyridazin-3-yl]benzamide;1-(2-ethoxyethyl)-6-oxo-N-[6-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]pyridazin-3-yl]pyridine-3-carboxamide;6-(2-morpholin-4-ylethoxy)-N-[5-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]-2-pyridinyl]pyridine-3-carboxamide;3-morpholin-4-yl-N-[6-[3-(oxan-4-yl)-5-(trifluoromethyl)pyrazol-1-yl]pyridazin-3-yl]benzamide;1-N-pyridin-4-yl-3-N-[5-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]-2-pyridinyl]benzene-1,3-dicarboxamide.

Molecular Properties

• Compound Name: 3-bromo-N-[6-[3-(oxan-4-yl)-5-(trifluoromethyl)pyrazol-1-yl]pyridazin-3-yl]benzamide;3-cyano-N-[6-[3-(oxan-4-yl)-5-(trifluoromethyl)pyrazol-1-yl]pyridazin-3-yl]benzamide;1-(2-ethoxyethyl)-6-oxo-N-[6-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]pyridazin-3-yl]pyridine-3-carboxamide;6-(2-morpholin-4-ylethoxy)-N-[5-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]-2-pyridinyl]pyridine-3-carboxamide;3-morpholin-4-yl-N-[6-[3-(oxan-4-yl)-5-(trifluoromethyl)pyrazol-1-yl]pyridazin-3-yl]benzamide;1-N-pyridin-4-yl-3-N-[5-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]-2-pyridinyl]benzene-1,3-dicarboxamide
• PubChem CID: 158033429
• Molecular Formula: C141H121BrF18N38O15
• Molecular Weight: 3009.64 g/mol
• Exact Mass: 3006.88
• IUPAC Name: 3-bromo-N-[6-[3-(oxan-4-yl)-5-(trifluoromethyl)pyrazol-1-yl]pyridazin-3-yl]benzamide;3-cyano-N-[6-[3-(oxan-4-yl)-5-(trifluoromethyl)pyrazol-1-yl]pyridazin-3-yl]benzamide;1-(2-ethoxyethyl)-6-oxo-N-[6-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]pyridazin-3-yl]pyridine-3-carboxamide;6-(2-morpholin-4-ylethoxy)-N-[5-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]-2-pyridinyl]pyridine-3-carboxamide;3-morpholin-4-yl-N-[6-[3-(oxan-4-yl)-5-(trifluoromethyl)pyrazol-1-yl]pyridazin-3-yl]benzamide;1-N-pyridin-4-yl-3-N-[5-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]-2-pyridinyl]benzene-1,3-dicarboxamide
• SMILES: CCOCCn1cc(C(=O)Nc2ccc(-n3nc(-c4cccnc4)cc3C(F)(F)F)nn2)ccc1=O.N#Cc1cccc(C(=O)Nc2ccc(-n3nc(C4CCOCC4)cc3C(F)(F)F)nn2)c1.O=C(Nc1ccc(-n2nc(-c3cccnc3)cc2C(F)(F)F)cn1)c1ccc(OCCN2CCOCC2)nc1.O=C(Nc1ccc(-n2nc(C3CCOCC3)cc2C(F)(F)F)nn1)c1cccc(Br)c1.O=C(Nc1ccc(-n2nc(C3CCOCC3)cc2C(F)(F)F)nn1)c1cccc(N2CCOCC2)c1.O=C(Nc1ccncc1)c1cccc(C(=O)Nc2ccc(-n3nc(-c4cccnc4)cc3C(F)(F)F)cn2)c1
• InChI: InChI=1S/C27H18F3N7O2.C26H24F3N7O3.C24H25F3N6O3.C23H20F3N7O3.C21H17F3N6O2.C20H17BrF3N5O2/c28-27(29,30)23-14-22(19-5-2-10-32-15-19)36-37(23)21-6-7-24(33-16-21)35-26(39)18-4-1-3-17(13-18)25(38)34-20-8-11-31-12-9-20;27-26(28,29)22-14-21(18-2-1-7-30-15-18)34-36(22)20-4-5-23(31-17-20)33-25(37)19-3-6-24(32-16-19)39-13-10-35-8-11-38-12-9-35;25-24(26,27)20-15-19(16-6-10-35-11-7-16)31-33(20)22-5-4-21(29-30-22)28-23(34)17-2-1-3-18(14-17)32-8-12-36-13-9-32;1-2-36-11-10-32-14-16(5-8-21(32)34)22(35)28-19-6-7-20(30-29-19)33-18(23(24,25)26)12-17(31-33)15-4-3-9-27-13-15;22-21(23,24)17-11-16(14-6-8-32-9-7-14)29-30(17)19-5-4-18(27-28-19)26-20(31)15-3-1-2-13(10-15)12-25;21-14-3-1-2-13(10-14)19(30)25-17-4-5-18(27-26-17)29-16(20(22,23)24)11-15(28-29)12-6-8-31-9-7-12/h1-16H,(H,31,34,38)(H,33,35,39);1-7,14-17H,8-13H2,(H,31,33,37);1-5,14-16H,6-13H2,(H,28,29,34);3-9,12-14H,2,10-11H2,1H3,(H,28,29,35);1-5,10-11,14H,6-9H2,(H,26,27,31);1-5,10-12H,6-9H2,(H,25,26,30)
• InChIKey: FHLNSDWPEIASNK-UHFFFAOYSA-N
• XLogP: 24.10
• TPSA: 620.85 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 46
• Rotatable Bonds: 35
• Heavy Atoms: 213
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	3009.64
LogP ≤ 5	24.10
H-Bond Donors ≤ 5	7
H-Bond Acceptors ≤ 10	46

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-[6-[3-(oxan-4-yl)-5-(trifluoromethyl)pyrazol-1-yl]pyridazin-3-yl]benzamide;3-cyano-N-[6-[3-(oxan-4-yl)-5-(trifluoromethyl)pyrazol-1-yl]pyridazin-3-yl]benzamide;1-(2-ethoxyethyl)-6-oxo-N-[6-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]pyridazin-3-yl]pyridine-3-carboxamide;6-(2-morpholin-4-ylethoxy)-N-[5-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]-2-pyridinyl]pyridine-3-carboxamide;3-morpholin-4-yl-N-[6-[3-(oxan-4-yl)-5-(trifluoromethyl)pyrazol-1-yl]pyridazin-3-yl]benzamide;1-N-pyridin-4-yl-3-N-[5-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]-2-pyridinyl]benzene-1,3-dicarboxamide?

The IUPAC name of 3-bromo-N-[6-[3-(oxan-4-yl)-5-(trifluoromethyl)pyrazol-1-yl]pyridazin-3-yl]benzamide;3-cyano-N-[6-[3-(oxan-4-yl)-5-(trifluoromethyl)pyrazol-1-yl]pyridazin-3-yl]benzamide;1-(2-ethoxyethyl)-6-oxo-N-[6-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]pyridazin-3-yl]pyridine-3-carboxamide;6-(2-morpholin-4-ylethoxy)-N-[5-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]-2-pyridinyl]pyridine-3-carboxamide;3-morpholin-4-yl-N-[6-[3-(oxan-4-yl)-5-(trifluoromethyl)pyrazol-1-yl]pyridazin-3-yl]benzamide;1-N-pyridin-4-yl-3-N-[5-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]-2-pyridinyl]benzene-1,3-dicarboxamide (CID 158033429) is 3-bromo-N-[6-[3-(oxan-4-yl)-5-(trifluoromethyl)pyrazol-1-yl]pyridazin-3-yl]benzamide;3-cyano-N-[6-[3-(oxan-4-yl)-5-(trifluoromethyl)pyrazol-1-yl]pyridazin-3-yl]benzamide;1-(2-ethoxyethyl)-6-oxo-N-[6-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]pyridazin-3-yl]pyridine-3-carboxamide;6-(2-morpholin-4-ylethoxy)-N-[5-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]-2-pyridinyl]pyridine-3-carboxamide;3-morpholin-4-yl-N-[6-[3-(oxan-4-yl)-5-(trifluoromethyl)pyrazol-1-yl]pyridazin-3-yl]benzamide;1-N-pyridin-4-yl-3-N-[5-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]-2-pyridinyl]benzene-1,3-dicarboxamide.

What is the SMILES notation for 3-bromo-N-[6-[3-(oxan-4-yl)-5-(trifluoromethyl)pyrazol-1-yl]pyridazin-3-yl]benzamide;3-cyano-N-[6-[3-(oxan-4-yl)-5-(trifluoromethyl)pyrazol-1-yl]pyridazin-3-yl]benzamide;1-(2-ethoxyethyl)-6-oxo-N-[6-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]pyridazin-3-yl]pyridine-3-carboxamide;6-(2-morpholin-4-ylethoxy)-N-[5-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]-2-pyridinyl]pyridine-3-carboxamide;3-morpholin-4-yl-N-[6-[3-(oxan-4-yl)-5-(trifluoromethyl)pyrazol-1-yl]pyridazin-3-yl]benzamide;1-N-pyridin-4-yl-3-N-[5-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]-2-pyridinyl]benzene-1,3-dicarboxamide?

The canonical SMILES for 3-bromo-N-[6-[3-(oxan-4-yl)-5-(trifluoromethyl)pyrazol-1-yl]pyridazin-3-yl]benzamide;3-cyano-N-[6-[3-(oxan-4-yl)-5-(trifluoromethyl)pyrazol-1-yl]pyridazin-3-yl]benzamide;1-(2-ethoxyethyl)-6-oxo-N-[6-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]pyridazin-3-yl]pyridine-3-carboxamide;6-(2-morpholin-4-ylethoxy)-N-[5-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]-2-pyridinyl]pyridine-3-carboxamide;3-morpholin-4-yl-N-[6-[3-(oxan-4-yl)-5-(trifluoromethyl)pyrazol-1-yl]pyridazin-3-yl]benzamide;1-N-pyridin-4-yl-3-N-[5-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]-2-pyridinyl]benzene-1,3-dicarboxamide is CCOCCn1cc(C(=O)Nc2ccc(-n3nc(-c4cccnc4)cc3C(F)(F)F)nn2)ccc1=O.N#Cc1cccc(C(=O)Nc2ccc(-n3nc(C4CCOCC4)cc3C(F)(F)F)nn2)c1.O=C(Nc1ccc(-n2nc(-c3cccnc3)cc2C(F)(F)F)cn1)c1ccc(OCCN2CCOCC2)nc1.O=C(Nc1ccc(-n2nc(C3CCOCC3)cc2C(F)(F)F)nn1)c1cccc(Br)c1.O=C(Nc1ccc(-n2nc(C3CCOCC3)cc2C(F)(F)F)nn1)c1cccc(N2CCOCC2)c1.O=C(Nc1ccncc1)c1cccc(C(=O)Nc2ccc(-n3nc(-c4cccnc4)cc3C(F)(F)F)cn2)c1.

What is the InChIKey of 3-bromo-N-[6-[3-(oxan-4-yl)-5-(trifluoromethyl)pyrazol-1-yl]pyridazin-3-yl]benzamide;3-cyano-N-[6-[3-(oxan-4-yl)-5-(trifluoromethyl)pyrazol-1-yl]pyridazin-3-yl]benzamide;1-(2-ethoxyethyl)-6-oxo-N-[6-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]pyridazin-3-yl]pyridine-3-carboxamide;6-(2-morpholin-4-ylethoxy)-N-[5-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]-2-pyridinyl]pyridine-3-carboxamide;3-morpholin-4-yl-N-[6-[3-(oxan-4-yl)-5-(trifluoromethyl)pyrazol-1-yl]pyridazin-3-yl]benzamide;1-N-pyridin-4-yl-3-N-[5-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]-2-pyridinyl]benzene-1,3-dicarboxamide?

The InChIKey is FHLNSDWPEIASNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H18F3N7O2.C26H24F3N7O3.C24H25F3N6O3.C23H20F3N7O3.C21H17F3N6O2.C20H17BrF3N5O2/c28-27(29,30)23-14-22(19-5-2-10-32-15-19)36-37(23)21-6-7-24(33-16-21)35-26(39)18-4-1-3-17(13-18)25(38)34-20-8-11-31-12-9-20;27-26(28,29)22-14-21(18-2-1-7-30-15-18)34-36(22)20-4-5-23(31-17-20)33-25(37)19-3-6-24(32-16-19)39-13-10-35-8-11-38-12-9-35;25-24(26,27)20-15-19(16-6-10-35-11-7-16)31-33(20)22-5-4-21(29-30-22)28-23(34)17-2-1-3-18(14-17)32-8-12-36-13-9-32;1-2-36-11-10-32-14-16(5-8-21(32)34)22(35)28-19-6-7-20(30-29-19)33-18(23(24,25)26)12-17(31-33)15-4-3-9-27-13-15;22-21(23,24)17-11-16(14-6-8-32-9-7-14)29-30(17)19-5-4-18(27-28-19)26-20(31)15-3-1-2-13(10-15)12-25;21-14-3-1-2-13(10-14)19(30)25-17-4-5-18(27-26-17)29-16(20(22,23)24)11-15(28-29)12-6-8-31-9-7-12/h1-16H,(H,31,34,38)(H,33,35,39);1-7,14-17H,8-13H2,(H,31,33,37);1-5,14-16H,6-13H2,(H,28,29,34);3-9,12-14H,2,10-11H2,1H3,(H,28,29,35);1-5,10-11,14H,6-9H2,(H,26,27,31);1-5,10-12H,6-9H2,(H,25,26,30).

What are the key properties of 3-bromo-N-[6-[3-(oxan-4-yl)-5-(trifluoromethyl)pyrazol-1-yl]pyridazin-3-yl]benzamide;3-cyano-N-[6-[3-(oxan-4-yl)-5-(trifluoromethyl)pyrazol-1-yl]pyridazin-3-yl]benzamide;1-(2-ethoxyethyl)-6-oxo-N-[6-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]pyridazin-3-yl]pyridine-3-carboxamide;6-(2-morpholin-4-ylethoxy)-N-[5-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]-2-pyridinyl]pyridine-3-carboxamide;3-morpholin-4-yl-N-[6-[3-(oxan-4-yl)-5-(trifluoromethyl)pyrazol-1-yl]pyridazin-3-yl]benzamide;1-N-pyridin-4-yl-3-N-[5-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]-2-pyridinyl]benzene-1,3-dicarboxamide?

3-bromo-N-[6-[3-(oxan-4-yl)-5-(trifluoromethyl)pyrazol-1-yl]pyridazin-3-yl]benzamide;3-cyano-N-[6-[3-(oxan-4-yl)-5-(trifluoromethyl)pyrazol-1-yl]pyridazin-3-yl]benzamide;1-(2-ethoxyethyl)-6-oxo-N-[6-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]pyridazin-3-yl]pyridine-3-carboxamide;6-(2-morpholin-4-ylethoxy)-N-[5-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]-2-pyridinyl]pyridine-3-carboxamide;3-morpholin-4-yl-N-[6-[3-(oxan-4-yl)-5-(trifluoromethyl)pyrazol-1-yl]pyridazin-3-yl]benzamide;1-N-pyridin-4-yl-3-N-[5-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]-2-pyridinyl]benzene-1,3-dicarboxamide has a molecular weight of 3009.64 g/mol, XLogP of 24.10, 35 rotatable bonds, 7 hydrogen bond donors, and 46 hydrogen bond acceptors.

Where does this data come from?

All data for 3-bromo-N-[6-[3-(oxan-4-yl)-5-(trifluoromethyl)pyrazol-1-yl]pyridazin-3-yl]benzamide;3-cyano-N-[6-[3-(oxan-4-yl)-5-(trifluoromethyl)pyrazol-1-yl]pyridazin-3-yl]benzamide;1-(2-ethoxyethyl)-6-oxo-N-[6-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]pyridazin-3-yl]pyridine-3-carboxamide;6-(2-morpholin-4-ylethoxy)-N-[5-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]-2-pyridinyl]pyridine-3-carboxamide;3-morpholin-4-yl-N-[6-[3-(oxan-4-yl)-5-(trifluoromethyl)pyrazol-1-yl]pyridazin-3-yl]benzamide;1-N-pyridin-4-yl-3-N-[5-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]-2-pyridinyl]benzene-1,3-dicarboxamide is sourced from PubChem (CID 158033429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).