3-bromo-N-[6-[3-(6-morpholin-4-yl-3-pyridinyl)-5-(trifluoromethyl)pyrazol-1-yl]pyridazin-3-yl]benzamide;tert-butyl 3-[[6-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]pyridazin-3-yl]carbamoyl]piperidine-1-carboxylate;3-(1-cyanoethyl)-N-[5-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]-2-pyridinyl]benzamide;3-cyano-N-[6-[3-(6-morpholin-4-yl-3-pyridinyl)-5-(trifluoromethyl)pyrazol-1-yl]pyridazin-3-yl]benzamide;3-(6-fluoro-3-pyridinyl)-N-[6-[3-(6-morpholin-4-yl-3-pyridinyl)-5-(trifluoromethyl)pyrazol-1-yl]pyridazin-3-yl]benzamide;3-(4-methylpiperazin-1-yl)-N-[6-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]pyridazin-3-yl]benzamide

C151H126BrF19N44O11 — CID 158337433

About 3-bromo-N-[6-[3-(6-morpholin-4-yl-3-pyridinyl)-5-(trifluoromethyl)pyrazol-1-yl]pyridazin-3-yl]benzamide;tert-butyl 3-[[6-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]pyridazin-3-yl]carbamoyl]piperidine-1-carboxylate;3-(1-cyanoethyl)-N-[5-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]-2-pyridinyl]benzamide;3-cyano-N-[6-[3-(6-morpholin-4-yl-3-pyridinyl)-5-(trifluoromethyl)pyrazol-1-yl]pyridazin-3-yl]benzamide;3-(6-fluoro-3-pyridinyl)-N-[6-[3-(6-morpholin-4-yl-3-pyridinyl)-5-(trifluoromethyl)pyrazol-1-yl]pyridazin-3-yl]benzamide;3-(4-methylpiperazin-1-yl)-N-[6-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]pyridazin-3-yl]benzamide

3-bromo-N-[6-[3-(6-morpholin-4-yl-3-pyridinyl)-5-(trifluoromethyl)pyrazol-1-yl]pyridazin-3-yl]benzamide;tert-butyl 3-[[6-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]pyridazin-3-yl]carbamoyl]piperidine-1-carboxylate;3-(1-cyanoethyl)-N-[5-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]-2-pyridinyl]benzamide;3-cyano-N-[6-[3-(6-morpholin-4-yl-3-pyridinyl)-5-(trifluoromethyl)pyrazol-1-yl]pyridazin-3-yl]benzamide;3-(6-fluoro-3-pyridinyl)-N-[6-[3-(6-morpholin-4-yl-3-pyridinyl)-5-(trifluoromethyl)pyrazol-1-yl]pyridazin-3-yl]benzamide;3-(4-methylpiperazin-1-yl)-N-[6-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]pyridazin-3-yl]benzamide (PubChem CID 158337433) has the molecular formula C151H126BrF19N44O11 and a molecular weight of 3173.83 g/mol. Its IUPAC name is 3-bromo-N-[6-[3-(6-morpholin-4-yl-3-pyridinyl)-5-(trifluoromethyl)pyrazol-1-yl]pyridazin-3-yl]benzamide;tert-butyl 3-[[6-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]pyridazin-3-yl]carbamoyl]piperidine-1-carboxylate;3-(1-cyanoethyl)-N-[5-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]-2-pyridinyl]benzamide;3-cyano-N-[6-[3-(6-morpholin-4-yl-3-pyridinyl)-5-(trifluoromethyl)pyrazol-1-yl]pyridazin-3-yl]benzamide;3-(6-fluoro-3-pyridinyl)-N-[6-[3-(6-morpholin-4-yl-3-pyridinyl)-5-(trifluoromethyl)pyrazol-1-yl]pyridazin-3-yl]benzamide;3-(4-methylpiperazin-1-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-(6-morpholin-4-yl-3-pyridinyl)-5-(trifluoromethyl)pyrazol-1-yl]pyridazin-3-yl]benzamide;tert-butyl 3-[[6-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]pyridazin-3-yl]carbamoyl]piperidine-1-carboxylate;3-(1-cyanoethyl)-N-[5-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]-2-pyridinyl]benzamide;3-cyano-N-[6-[3-(6-morpholin-4-yl-3-pyridinyl)-5-(trifluoromethyl)pyrazol-1-yl]pyridazin-3-yl]benzamide;3-(6-fluoro-3-pyridinyl)-N-[6-[3-(6-morpholin-4-yl-3-pyridinyl)-5-(trifluoromethyl)pyrazol-1-yl]pyridazin-3-yl]benzamide;3-(4-methylpiperazin-1-yl)-N-[6-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]pyridazin-3-yl]benzamide
• PubChem CID: 158337433
• Molecular Formula: C151H126BrF19N44O11
• Molecular Weight: 3173.83 g/mol
• Exact Mass: 3170.95
• IUPAC Name: 3-bromo-N-[6-[3-(6-morpholin-4-yl-3-pyridinyl)-5-(trifluoromethyl)pyrazol-1-yl]pyridazin-3-yl]benzamide;tert-butyl 3-[[6-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]pyridazin-3-yl]carbamoyl]piperidine-1-carboxylate;3-(1-cyanoethyl)-N-[5-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]-2-pyridinyl]benzamide;3-cyano-N-[6-[3-(6-morpholin-4-yl-3-pyridinyl)-5-(trifluoromethyl)pyrazol-1-yl]pyridazin-3-yl]benzamide;3-(6-fluoro-3-pyridinyl)-N-[6-[3-(6-morpholin-4-yl-3-pyridinyl)-5-(trifluoromethyl)pyrazol-1-yl]pyridazin-3-yl]benzamide;3-(4-methylpiperazin-1-yl)-N-[6-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]pyridazin-3-yl]benzamide
• SMILES: CC(C#N)c1cccc(C(=O)Nc2ccc(-n3nc(-c4cccnc4)cc3C(F)(F)F)cn2)c1.CC(C)(C)OC(=O)N1CCCC(C(=O)Nc2ccc(-n3nc(-c4cccnc4)cc3C(F)(F)F)nn2)C1.CN1CCN(c2cccc(C(=O)Nc3ccc(-n4nc(-c5cccnc5)cc4C(F)(F)F)nn3)c2)CC1.N#Cc1cccc(C(=O)Nc2ccc(-n3nc(-c4ccc(N5CCOCC5)nc4)cc3C(F)(F)F)nn2)c1.O=C(Nc1ccc(-n2nc(-c3ccc(N4CCOCC4)nc3)cc2C(F)(F)F)nn1)c1cccc(-c2ccc(F)nc2)c1.O=C(Nc1ccc(-n2nc(-c3ccc(N4CCOCC4)nc3)cc2C(F)(F)F)nn1)c1cccc(Br)c1
• InChI: InChI=1S/C29H22F4N8O2.C25H19F3N8O2.C25H23F3N8O.C24H19BrF3N7O2.C24H26F3N7O3.C24H17F3N6O/c30-24-6-4-20(16-34-24)18-2-1-3-19(14-18)28(42)36-25-7-9-27(38-37-25)41-23(29(31,32)33)15-22(39-41)21-5-8-26(35-17-21)40-10-12-43-13-11-40;26-25(27,28)20-13-19(18-4-6-22(30-15-18)35-8-10-38-11-9-35)34-36(20)23-7-5-21(32-33-23)31-24(37)17-3-1-2-16(12-17)14-29;1-34-10-12-35(13-11-34)19-6-2-4-17(14-19)24(37)30-22-7-8-23(32-31-22)36-21(25(26,27)28)15-20(33-36)18-5-3-9-29-16-18;25-17-3-1-2-15(12-17)23(36)30-20-5-7-22(32-31-20)35-19(24(26,27)28)13-18(33-35)16-4-6-21(29-14-16)34-8-10-37-11-9-34;1-23(2,3)37-22(36)33-11-5-7-16(14-33)21(35)29-19-8-9-20(31-30-19)34-18(24(25,26)27)12-17(32-34)15-6-4-10-28-13-15;1-15(12-28)16-4-2-5-17(10-16)23(34)31-22-8-7-19(14-30-22)33-21(24(25,26)27)11-20(32-33)18-6-3-9-29-13-18/h1-9,14-17H,10-13H2,(H,36,37,42);1-7,12-13,15H,8-11H2,(H,31,32,37);2-9,14-16H,10-13H2,1H3,(H,30,31,37);1-7,12-14H,8-11H2,(H,30,31,36);4,6,8-10,12-13,16H,5,7,11,14H2,1-3H3,(H,29,30,35);2-11,13-15H,1H3,(H,30,31,34)
• InChIKey: GQTFPSKYEFEJPN-UHFFFAOYSA-N
• XLogP: 26.63
• TPSA: 634.55 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 48
• Rotatable Bonds: 30
• Heavy Atoms: 226
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	3173.83
LogP ≤ 5	26.63
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	48

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-[6-[3-(6-morpholin-4-yl-3-pyridinyl)-5-(trifluoromethyl)pyrazol-1-yl]pyridazin-3-yl]benzamide;tert-butyl 3-[[6-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]pyridazin-3-yl]carbamoyl]piperidine-1-carboxylate;3-(1-cyanoethyl)-N-[5-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]-2-pyridinyl]benzamide;3-cyano-N-[6-[3-(6-morpholin-4-yl-3-pyridinyl)-5-(trifluoromethyl)pyrazol-1-yl]pyridazin-3-yl]benzamide;3-(6-fluoro-3-pyridinyl)-N-[6-[3-(6-morpholin-4-yl-3-pyridinyl)-5-(trifluoromethyl)pyrazol-1-yl]pyridazin-3-yl]benzamide;3-(4-methylpiperazin-1-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-(6-morpholin-4-yl-3-pyridinyl)-5-(trifluoromethyl)pyrazol-1-yl]pyridazin-3-yl]benzamide;tert-butyl 3-[[6-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]pyridazin-3-yl]carbamoyl]piperidine-1-carboxylate;3-(1-cyanoethyl)-N-[5-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]-2-pyridinyl]benzamide;3-cyano-N-[6-[3-(6-morpholin-4-yl-3-pyridinyl)-5-(trifluoromethyl)pyrazol-1-yl]pyridazin-3-yl]benzamide;3-(6-fluoro-3-pyridinyl)-N-[6-[3-(6-morpholin-4-yl-3-pyridinyl)-5-(trifluoromethyl)pyrazol-1-yl]pyridazin-3-yl]benzamide;3-(4-methylpiperazin-1-yl)-N-[6-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]pyridazin-3-yl]benzamide (CID 158337433) is 3-bromo-N-[6-[3-(6-morpholin-4-yl-3-pyridinyl)-5-(trifluoromethyl)pyrazol-1-yl]pyridazin-3-yl]benzamide;tert-butyl 3-[[6-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]pyridazin-3-yl]carbamoyl]piperidine-1-carboxylate;3-(1-cyanoethyl)-N-[5-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]-2-pyridinyl]benzamide;3-cyano-N-[6-[3-(6-morpholin-4-yl-3-pyridinyl)-5-(trifluoromethyl)pyrazol-1-yl]pyridazin-3-yl]benzamide;3-(6-fluoro-3-pyridinyl)-N-[6-[3-(6-morpholin-4-yl-3-pyridinyl)-5-(trifluoromethyl)pyrazol-1-yl]pyridazin-3-yl]benzamide;3-(4-methylpiperazin-1-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-(6-morpholin-4-yl-3-pyridinyl)-5-(trifluoromethyl)pyrazol-1-yl]pyridazin-3-yl]benzamide;tert-butyl 3-[[6-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]pyridazin-3-yl]carbamoyl]piperidine-1-carboxylate;3-(1-cyanoethyl)-N-[5-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]-2-pyridinyl]benzamide;3-cyano-N-[6-[3-(6-morpholin-4-yl-3-pyridinyl)-5-(trifluoromethyl)pyrazol-1-yl]pyridazin-3-yl]benzamide;3-(6-fluoro-3-pyridinyl)-N-[6-[3-(6-morpholin-4-yl-3-pyridinyl)-5-(trifluoromethyl)pyrazol-1-yl]pyridazin-3-yl]benzamide;3-(4-methylpiperazin-1-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-(6-morpholin-4-yl-3-pyridinyl)-5-(trifluoromethyl)pyrazol-1-yl]pyridazin-3-yl]benzamide;tert-butyl 3-[[6-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]pyridazin-3-yl]carbamoyl]piperidine-1-carboxylate;3-(1-cyanoethyl)-N-[5-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]-2-pyridinyl]benzamide;3-cyano-N-[6-[3-(6-morpholin-4-yl-3-pyridinyl)-5-(trifluoromethyl)pyrazol-1-yl]pyridazin-3-yl]benzamide;3-(6-fluoro-3-pyridinyl)-N-[6-[3-(6-morpholin-4-yl-3-pyridinyl)-5-(trifluoromethyl)pyrazol-1-yl]pyridazin-3-yl]benzamide;3-(4-methylpiperazin-1-yl)-N-[6-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]pyridazin-3-yl]benzamide is CC(C#N)c1cccc(C(=O)Nc2ccc(-n3nc(-c4cccnc4)cc3C(F)(F)F)cn2)c1.CC(C)(C)OC(=O)N1CCCC(C(=O)Nc2ccc(-n3nc(-c4cccnc4)cc3C(F)(F)F)nn2)C1.CN1CCN(c2cccc(C(=O)Nc3ccc(-n4nc(-c5cccnc5)cc4C(F)(F)F)nn3)c2)CC1.N#Cc1cccc(C(=O)Nc2ccc(-n3nc(-c4ccc(N5CCOCC5)nc4)cc3C(F)(F)F)nn2)c1.O=C(Nc1ccc(-n2nc(-c3ccc(N4CCOCC4)nc3)cc2C(F)(F)F)nn1)c1cccc(-c2ccc(F)nc2)c1.O=C(Nc1ccc(-n2nc(-c3ccc(N4CCOCC4)nc3)cc2C(F)(F)F)nn1)c1cccc(Br)c1.

What is the InChIKey of 3-bromo-N-[6-[3-(6-morpholin-4-yl-3-pyridinyl)-5-(trifluoromethyl)pyrazol-1-yl]pyridazin-3-yl]benzamide;tert-butyl 3-[[6-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]pyridazin-3-yl]carbamoyl]piperidine-1-carboxylate;3-(1-cyanoethyl)-N-[5-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]-2-pyridinyl]benzamide;3-cyano-N-[6-[3-(6-morpholin-4-yl-3-pyridinyl)-5-(trifluoromethyl)pyrazol-1-yl]pyridazin-3-yl]benzamide;3-(6-fluoro-3-pyridinyl)-N-[6-[3-(6-morpholin-4-yl-3-pyridinyl)-5-(trifluoromethyl)pyrazol-1-yl]pyridazin-3-yl]benzamide;3-(4-methylpiperazin-1-yl)-N-[6-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]pyridazin-3-yl]benzamide?

The InChIKey is GQTFPSKYEFEJPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H22F4N8O2.C25H19F3N8O2.C25H23F3N8O.C24H19BrF3N7O2.C24H26F3N7O3.C24H17F3N6O/c30-24-6-4-20(16-34-24)18-2-1-3-19(14-18)28(42)36-25-7-9-27(38-37-25)41-23(29(31,32)33)15-22(39-41)21-5-8-26(35-17-21)40-10-12-43-13-11-40;26-25(27,28)20-13-19(18-4-6-22(30-15-18)35-8-10-38-11-9-35)34-36(20)23-7-5-21(32-33-23)31-24(37)17-3-1-2-16(12-17)14-29;1-34-10-12-35(13-11-34)19-6-2-4-17(14-19)24(37)30-22-7-8-23(32-31-22)36-21(25(26,27)28)15-20(33-36)18-5-3-9-29-16-18;25-17-3-1-2-15(12-17)23(36)30-20-5-7-22(32-31-20)35-19(24(26,27)28)13-18(33-35)16-4-6-21(29-14-16)34-8-10-37-11-9-34;1-23(2,3)37-22(36)33-11-5-7-16(14-33)21(35)29-19-8-9-20(31-30-19)34-18(24(25,26)27)12-17(32-34)15-6-4-10-28-13-15;1-15(12-28)16-4-2-5-17(10-16)23(34)31-22-8-7-19(14-30-22)33-21(24(25,26)27)11-20(32-33)18-6-3-9-29-13-18/h1-9,14-17H,10-13H2,(H,36,37,42);1-7,12-13,15H,8-11H2,(H,31,32,37);2-9,14-16H,10-13H2,1H3,(H,30,31,37);1-7,12-14H,8-11H2,(H,30,31,36);4,6,8-10,12-13,16H,5,7,11,14H2,1-3H3,(H,29,30,35);2-11,13-15H,1H3,(H,30,31,34).

What are the key properties of 3-bromo-N-[6-[3-(6-morpholin-4-yl-3-pyridinyl)-5-(trifluoromethyl)pyrazol-1-yl]pyridazin-3-yl]benzamide;tert-butyl 3-[[6-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]pyridazin-3-yl]carbamoyl]piperidine-1-carboxylate;3-(1-cyanoethyl)-N-[5-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]-2-pyridinyl]benzamide;3-cyano-N-[6-[3-(6-morpholin-4-yl-3-pyridinyl)-5-(trifluoromethyl)pyrazol-1-yl]pyridazin-3-yl]benzamide;3-(6-fluoro-3-pyridinyl)-N-[6-[3-(6-morpholin-4-yl-3-pyridinyl)-5-(trifluoromethyl)pyrazol-1-yl]pyridazin-3-yl]benzamide;3-(4-methylpiperazin-1-yl)-N-[6-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]pyridazin-3-yl]benzamide?

3-bromo-N-[6-[3-(6-morpholin-4-yl-3-pyridinyl)-5-(trifluoromethyl)pyrazol-1-yl]pyridazin-3-yl]benzamide;tert-butyl 3-[[6-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]pyridazin-3-yl]carbamoyl]piperidine-1-carboxylate;3-(1-cyanoethyl)-N-[5-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]-2-pyridinyl]benzamide;3-cyano-N-[6-[3-(6-morpholin-4-yl-3-pyridinyl)-5-(trifluoromethyl)pyrazol-1-yl]pyridazin-3-yl]benzamide;3-(6-fluoro-3-pyridinyl)-N-[6-[3-(6-morpholin-4-yl-3-pyridinyl)-5-(trifluoromethyl)pyrazol-1-yl]pyridazin-3-yl]benzamide;3-(4-methylpiperazin-1-yl)-N-[6-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]pyridazin-3-yl]benzamide has a molecular weight of 3173.83 g/mol, XLogP of 26.63, 30 rotatable bonds, 6 hydrogen bond donors, and 48 hydrogen bond acceptors.

Where does this data come from?

All data for 3-bromo-N-[6-[3-(6-morpholin-4-yl-3-pyridinyl)-5-(trifluoromethyl)pyrazol-1-yl]pyridazin-3-yl]benzamide;tert-butyl 3-[[6-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]pyridazin-3-yl]carbamoyl]piperidine-1-carboxylate;3-(1-cyanoethyl)-N-[5-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]-2-pyridinyl]benzamide;3-cyano-N-[6-[3-(6-morpholin-4-yl-3-pyridinyl)-5-(trifluoromethyl)pyrazol-1-yl]pyridazin-3-yl]benzamide;3-(6-fluoro-3-pyridinyl)-N-[6-[3-(6-morpholin-4-yl-3-pyridinyl)-5-(trifluoromethyl)pyrazol-1-yl]pyridazin-3-yl]benzamide;3-(4-methylpiperazin-1-yl)-N-[6-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]pyridazin-3-yl]benzamide is sourced from PubChem (CID 158337433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).