4-cyano-N-[5-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]-2-pyridinyl]benzamide;2-(2-ethoxyethoxy)-N-[5-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]-2-pyridinyl]pyridine-4-carboxamide;1-(2-ethoxyethyl)-2-oxo-N-[5-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]-2-pyridinyl]pyridine-4-carboxamide;3-(6-nitro-3-pyridinyl)-N-[6-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]pyridazin-3-yl]benzamide;N-[6-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]pyridazin-3-yl]piperidine-3-carboxamide;N-[5-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]-2-pyridinyl]-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide

C136H102F21N39O13 — CID 158398143

About 4-cyano-N-[5-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]-2-pyridinyl]benzamide;2-(2-ethoxyethoxy)-N-[5-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]-2-pyridinyl]pyridine-4-carboxamide;1-(2-ethoxyethyl)-2-oxo-N-[5-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]-2-pyridinyl]pyridine-4-carboxamide;3-(6-nitro-3-pyridinyl)-N-[6-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]pyridazin-3-yl]benzamide;N-[6-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]pyridazin-3-yl]piperidine-3-carboxamide;N-[5-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]-2-pyridinyl]-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide

4-cyano-N-[5-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]-2-pyridinyl]benzamide;2-(2-ethoxyethoxy)-N-[5-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]-2-pyridinyl]pyridine-4-carboxamide;1-(2-ethoxyethyl)-2-oxo-N-[5-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]-2-pyridinyl]pyridine-4-carboxamide;3-(6-nitro-3-pyridinyl)-N-[6-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]pyridazin-3-yl]benzamide;N-[6-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]pyridazin-3-yl]piperidine-3-carboxamide;N-[5-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]-2-pyridinyl]-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide (PubChem CID 158398143) has the molecular formula C136H102F21N39O13 and a molecular weight of 2889.53 g/mol. Its IUPAC name is 4-cyano-N-[5-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]-2-pyridinyl]benzamide;2-(2-ethoxyethoxy)-N-[5-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]-2-pyridinyl]pyridine-4-carboxamide;1-(2-ethoxyethyl)-2-oxo-N-[5-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]-2-pyridinyl]pyridine-4-carboxamide;3-(6-nitro-3-pyridinyl)-N-[6-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]pyridazin-3-yl]benzamide;N-[6-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]pyridazin-3-yl]piperidine-3-carboxamide;N-[5-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]-2-pyridinyl]-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide.

Molecular Properties

• Compound Name: 4-cyano-N-[5-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]-2-pyridinyl]benzamide;2-(2-ethoxyethoxy)-N-[5-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]-2-pyridinyl]pyridine-4-carboxamide;1-(2-ethoxyethyl)-2-oxo-N-[5-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]-2-pyridinyl]pyridine-4-carboxamide;3-(6-nitro-3-pyridinyl)-N-[6-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]pyridazin-3-yl]benzamide;N-[6-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]pyridazin-3-yl]piperidine-3-carboxamide;N-[5-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]-2-pyridinyl]-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide
• PubChem CID: 158398143
• Molecular Formula: C136H102F21N39O13
• Molecular Weight: 2889.53 g/mol
• Exact Mass: 2887.82
• IUPAC Name: 4-cyano-N-[5-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]-2-pyridinyl]benzamide;2-(2-ethoxyethoxy)-N-[5-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]-2-pyridinyl]pyridine-4-carboxamide;1-(2-ethoxyethyl)-2-oxo-N-[5-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]-2-pyridinyl]pyridine-4-carboxamide;3-(6-nitro-3-pyridinyl)-N-[6-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]pyridazin-3-yl]benzamide;N-[6-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]pyridazin-3-yl]piperidine-3-carboxamide;N-[5-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]-2-pyridinyl]-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide
• SMILES: CCOCCOc1cc(C(=O)Nc2ccc(-n3nc(-c4cccnc4)cc3C(F)(F)F)cn2)ccn1.CCOCCn1ccc(C(=O)Nc2ccc(-n3nc(-c4cccnc4)cc3C(F)(F)F)cn2)cc1=O.N#Cc1ccc(C(=O)Nc2ccc(-n3nc(-c4cccnc4)cc3C(F)(F)F)cn2)cc1.O=C(Nc1ccc(-n2nc(-c3cccnc3)cc2C(F)(F)F)cn1)c1ccc(OCC(F)(F)F)nc1.O=C(Nc1ccc(-n2nc(-c3cccnc3)cc2C(F)(F)F)nn1)C1CCCNC1.O=C(Nc1ccc(-n2nc(-c3cccnc3)cc2C(F)(F)F)nn1)c1cccc(-c2ccc([N+](=O)[O-])nc2)c1
• InChI: InChI=1S/C25H15F3N8O3.2C24H21F3N6O3.C22H14F6N6O2.C22H13F3N6O.C19H18F3N7O/c26-25(27,28)20-12-19(18-5-2-10-29-13-18)34-35(20)23-9-7-21(32-33-23)31-24(37)16-4-1-3-15(11-16)17-6-8-22(30-14-17)36(38)39;1-2-36-11-10-32-9-7-16(12-22(32)34)23(35)30-21-6-5-18(15-29-21)33-20(24(25,26)27)13-19(31-33)17-4-3-8-28-14-17;1-2-35-10-11-36-22-12-16(7-9-29-22)23(34)31-21-6-5-18(15-30-21)33-20(24(25,26)27)13-19(32-33)17-4-3-8-28-14-17;23-21(24,25)12-36-19-6-3-14(10-31-19)20(35)32-18-5-4-15(11-30-18)34-17(22(26,27)28)8-16(33-34)13-2-1-7-29-9-13;23-22(24,25)19-10-18(16-2-1-9-27-12-16)30-31(19)17-7-8-20(28-13-17)29-21(32)15-5-3-14(11-26)4-6-15;20-19(21,22)15-9-14(12-3-1-7-23-10-12)28-29(15)17-6-5-16(26-27-17)25-18(30)13-4-2-8-24-11-13/h1-14H,(H,31,32,37);3-9,12-15H,2,10-11H2,1H3,(H,29,30,35);3-9,12-15H,2,10-11H2,1H3,(H,30,31,34);1-11H,12H2,(H,30,32,35);1-10,12-13H,(H,28,29,32);1,3,5-7,9-10,13,24H,2,4,8,11H2,(H,25,26,30)
• InChIKey: GXTPODMPAULELS-UHFFFAOYSA-N
• XLogP: 25.26
• TPSA: 638.53 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 45
• Rotatable Bonds: 37
• Heavy Atoms: 209
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2889.53
LogP ≤ 5	25.26
H-Bond Donors ≤ 5	7
H-Bond Acceptors ≤ 10	45

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 4-cyano-N-[5-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]-2-pyridinyl]benzamide;2-(2-ethoxyethoxy)-N-[5-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]-2-pyridinyl]pyridine-4-carboxamide;1-(2-ethoxyethyl)-2-oxo-N-[5-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]-2-pyridinyl]pyridine-4-carboxamide;3-(6-nitro-3-pyridinyl)-N-[6-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]pyridazin-3-yl]benzamide;N-[6-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]pyridazin-3-yl]piperidine-3-carboxamide;N-[5-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]-2-pyridinyl]-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide?

The IUPAC name of 4-cyano-N-[5-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]-2-pyridinyl]benzamide;2-(2-ethoxyethoxy)-N-[5-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]-2-pyridinyl]pyridine-4-carboxamide;1-(2-ethoxyethyl)-2-oxo-N-[5-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]-2-pyridinyl]pyridine-4-carboxamide;3-(6-nitro-3-pyridinyl)-N-[6-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]pyridazin-3-yl]benzamide;N-[6-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]pyridazin-3-yl]piperidine-3-carboxamide;N-[5-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]-2-pyridinyl]-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide (CID 158398143) is 4-cyano-N-[5-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]-2-pyridinyl]benzamide;2-(2-ethoxyethoxy)-N-[5-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]-2-pyridinyl]pyridine-4-carboxamide;1-(2-ethoxyethyl)-2-oxo-N-[5-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]-2-pyridinyl]pyridine-4-carboxamide;3-(6-nitro-3-pyridinyl)-N-[6-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]pyridazin-3-yl]benzamide;N-[6-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]pyridazin-3-yl]piperidine-3-carboxamide;N-[5-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]-2-pyridinyl]-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide.

What is the SMILES notation for 4-cyano-N-[5-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]-2-pyridinyl]benzamide;2-(2-ethoxyethoxy)-N-[5-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]-2-pyridinyl]pyridine-4-carboxamide;1-(2-ethoxyethyl)-2-oxo-N-[5-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]-2-pyridinyl]pyridine-4-carboxamide;3-(6-nitro-3-pyridinyl)-N-[6-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]pyridazin-3-yl]benzamide;N-[6-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]pyridazin-3-yl]piperidine-3-carboxamide;N-[5-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]-2-pyridinyl]-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide?

The canonical SMILES for 4-cyano-N-[5-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]-2-pyridinyl]benzamide;2-(2-ethoxyethoxy)-N-[5-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]-2-pyridinyl]pyridine-4-carboxamide;1-(2-ethoxyethyl)-2-oxo-N-[5-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]-2-pyridinyl]pyridine-4-carboxamide;3-(6-nitro-3-pyridinyl)-N-[6-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]pyridazin-3-yl]benzamide;N-[6-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]pyridazin-3-yl]piperidine-3-carboxamide;N-[5-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]-2-pyridinyl]-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide is CCOCCOc1cc(C(=O)Nc2ccc(-n3nc(-c4cccnc4)cc3C(F)(F)F)cn2)ccn1.CCOCCn1ccc(C(=O)Nc2ccc(-n3nc(-c4cccnc4)cc3C(F)(F)F)cn2)cc1=O.N#Cc1ccc(C(=O)Nc2ccc(-n3nc(-c4cccnc4)cc3C(F)(F)F)cn2)cc1.O=C(Nc1ccc(-n2nc(-c3cccnc3)cc2C(F)(F)F)cn1)c1ccc(OCC(F)(F)F)nc1.O=C(Nc1ccc(-n2nc(-c3cccnc3)cc2C(F)(F)F)nn1)C1CCCNC1.O=C(Nc1ccc(-n2nc(-c3cccnc3)cc2C(F)(F)F)nn1)c1cccc(-c2ccc([N+](=O)[O-])nc2)c1.

What is the InChIKey of 4-cyano-N-[5-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]-2-pyridinyl]benzamide;2-(2-ethoxyethoxy)-N-[5-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]-2-pyridinyl]pyridine-4-carboxamide;1-(2-ethoxyethyl)-2-oxo-N-[5-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]-2-pyridinyl]pyridine-4-carboxamide;3-(6-nitro-3-pyridinyl)-N-[6-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]pyridazin-3-yl]benzamide;N-[6-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]pyridazin-3-yl]piperidine-3-carboxamide;N-[5-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]-2-pyridinyl]-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide?

The InChIKey is GXTPODMPAULELS-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H15F3N8O3.2C24H21F3N6O3.C22H14F6N6O2.C22H13F3N6O.C19H18F3N7O/c26-25(27,28)20-12-19(18-5-2-10-29-13-18)34-35(20)23-9-7-21(32-33-23)31-24(37)16-4-1-3-15(11-16)17-6-8-22(30-14-17)36(38)39;1-2-36-11-10-32-9-7-16(12-22(32)34)23(35)30-21-6-5-18(15-29-21)33-20(24(25,26)27)13-19(31-33)17-4-3-8-28-14-17;1-2-35-10-11-36-22-12-16(7-9-29-22)23(34)31-21-6-5-18(15-30-21)33-20(24(25,26)27)13-19(32-33)17-4-3-8-28-14-17;23-21(24,25)12-36-19-6-3-14(10-31-19)20(35)32-18-5-4-15(11-30-18)34-17(22(26,27)28)8-16(33-34)13-2-1-7-29-9-13;23-22(24,25)19-10-18(16-2-1-9-27-12-16)30-31(19)17-7-8-20(28-13-17)29-21(32)15-5-3-14(11-26)4-6-15;20-19(21,22)15-9-14(12-3-1-7-23-10-12)28-29(15)17-6-5-16(26-27-17)25-18(30)13-4-2-8-24-11-13/h1-14H,(H,31,32,37);3-9,12-15H,2,10-11H2,1H3,(H,29,30,35);3-9,12-15H,2,10-11H2,1H3,(H,30,31,34);1-11H,12H2,(H,30,32,35);1-10,12-13H,(H,28,29,32);1,3,5-7,9-10,13,24H,2,4,8,11H2,(H,25,26,30).

What are the key properties of 4-cyano-N-[5-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]-2-pyridinyl]benzamide;2-(2-ethoxyethoxy)-N-[5-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]-2-pyridinyl]pyridine-4-carboxamide;1-(2-ethoxyethyl)-2-oxo-N-[5-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]-2-pyridinyl]pyridine-4-carboxamide;3-(6-nitro-3-pyridinyl)-N-[6-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]pyridazin-3-yl]benzamide;N-[6-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]pyridazin-3-yl]piperidine-3-carboxamide;N-[5-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]-2-pyridinyl]-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide?

4-cyano-N-[5-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]-2-pyridinyl]benzamide;2-(2-ethoxyethoxy)-N-[5-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]-2-pyridinyl]pyridine-4-carboxamide;1-(2-ethoxyethyl)-2-oxo-N-[5-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]-2-pyridinyl]pyridine-4-carboxamide;3-(6-nitro-3-pyridinyl)-N-[6-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]pyridazin-3-yl]benzamide;N-[6-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]pyridazin-3-yl]piperidine-3-carboxamide;N-[5-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]-2-pyridinyl]-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide has a molecular weight of 2889.53 g/mol, XLogP of 25.26, 37 rotatable bonds, 7 hydrogen bond donors, and 45 hydrogen bond acceptors.

Where does this data come from?

All data for 4-cyano-N-[5-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]-2-pyridinyl]benzamide;2-(2-ethoxyethoxy)-N-[5-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]-2-pyridinyl]pyridine-4-carboxamide;1-(2-ethoxyethyl)-2-oxo-N-[5-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]-2-pyridinyl]pyridine-4-carboxamide;3-(6-nitro-3-pyridinyl)-N-[6-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]pyridazin-3-yl]benzamide;N-[6-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]pyridazin-3-yl]piperidine-3-carboxamide;N-[5-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]-2-pyridinyl]-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide is sourced from PubChem (CID 158398143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).