3-bromo-N-[5-[3-(6-methoxy-3-pyridinyl)-5-(trifluoromethyl)pyrazol-1-yl]-2-pyridinyl]benzamide;3-(4-ethylpiperazin-1-yl)-N-[5-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]-2-pyridinyl]benzamide;3-iodo-4-methyl-N-[5-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]-2-pyridinyl]benzamide;3-(4-propan-2-ylpiperazin-1-yl)-N-[6-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]pyridazin-3-yl]benzamide;3-(4-propan-2-ylpiperazin-1-yl)-N-[5-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]-2-pyridinyl]benzamide;1-N-pyridin-2-yl-3-N-[5-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]-2-pyridinyl]benzene-1,3-dicarboxamide

C153H129BrF18IN39O8 — CID 159391225

About 3-bromo-N-[5-[3-(6-methoxy-3-pyridinyl)-5-(trifluoromethyl)pyrazol-1-yl]-2-pyridinyl]benzamide;3-(4-ethylpiperazin-1-yl)-N-[5-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]-2-pyridinyl]benzamide;3-iodo-4-methyl-N-[5-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]-2-pyridinyl]benzamide;3-(4-propan-2-ylpiperazin-1-yl)-N-[6-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]pyridazin-3-yl]benzamide;3-(4-propan-2-ylpiperazin-1-yl)-N-[5-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]-2-pyridinyl]benzamide;1-N-pyridin-2-yl-3-N-[5-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]-2-pyridinyl]benzene-1,3-dicarboxamide

3-bromo-N-[5-[3-(6-methoxy-3-pyridinyl)-5-(trifluoromethyl)pyrazol-1-yl]-2-pyridinyl]benzamide;3-(4-ethylpiperazin-1-yl)-N-[5-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]-2-pyridinyl]benzamide;3-iodo-4-methyl-N-[5-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]-2-pyridinyl]benzamide;3-(4-propan-2-ylpiperazin-1-yl)-N-[6-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]pyridazin-3-yl]benzamide;3-(4-propan-2-ylpiperazin-1-yl)-N-[5-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]-2-pyridinyl]benzamide;1-N-pyridin-2-yl-3-N-[5-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]-2-pyridinyl]benzene-1,3-dicarboxamide (PubChem CID 159391225) has the molecular formula C153H129BrF18IN39O8 and a molecular weight of 3190.75 g/mol. Its IUPAC name is 3-bromo-N-[5-[3-(6-methoxy-3-pyridinyl)-5-(trifluoromethyl)pyrazol-1-yl]-2-pyridinyl]benzamide;3-(4-ethylpiperazin-1-yl)-N-[5-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]-2-pyridinyl]benzamide;3-iodo-4-methyl-N-[5-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]-2-pyridinyl]benzamide;3-(4-propan-2-ylpiperazin-1-yl)-N-[6-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]pyridazin-3-yl]benzamide;3-(4-propan-2-ylpiperazin-1-yl)-N-[5-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]-2-pyridinyl]benzamide;1-N-pyridin-2-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-[5-[3-(6-methoxy-3-pyridinyl)-5-(trifluoromethyl)pyrazol-1-yl]-2-pyridinyl]benzamide;3-(4-ethylpiperazin-1-yl)-N-[5-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]-2-pyridinyl]benzamide;3-iodo-4-methyl-N-[5-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]-2-pyridinyl]benzamide;3-(4-propan-2-ylpiperazin-1-yl)-N-[6-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]pyridazin-3-yl]benzamide;3-(4-propan-2-ylpiperazin-1-yl)-N-[5-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]-2-pyridinyl]benzamide;1-N-pyridin-2-yl-3-N-[5-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]-2-pyridinyl]benzene-1,3-dicarboxamide
• PubChem CID: 159391225
• Molecular Formula: C153H129BrF18IN39O8
• Molecular Weight: 3190.75 g/mol
• Exact Mass: 3187.88
• IUPAC Name: 3-bromo-N-[5-[3-(6-methoxy-3-pyridinyl)-5-(trifluoromethyl)pyrazol-1-yl]-2-pyridinyl]benzamide;3-(4-ethylpiperazin-1-yl)-N-[5-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]-2-pyridinyl]benzamide;3-iodo-4-methyl-N-[5-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]-2-pyridinyl]benzamide;3-(4-propan-2-ylpiperazin-1-yl)-N-[6-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]pyridazin-3-yl]benzamide;3-(4-propan-2-ylpiperazin-1-yl)-N-[5-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]-2-pyridinyl]benzamide;1-N-pyridin-2-yl-3-N-[5-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]-2-pyridinyl]benzene-1,3-dicarboxamide
• SMILES: CC(C)N1CCN(c2cccc(C(=O)Nc3ccc(-n4nc(-c5cccnc5)cc4C(F)(F)F)cn3)c2)CC1.CC(C)N1CCN(c2cccc(C(=O)Nc3ccc(-n4nc(-c5cccnc5)cc4C(F)(F)F)nn3)c2)CC1.CCN1CCN(c2cccc(C(=O)Nc3ccc(-n4nc(-c5cccnc5)cc4C(F)(F)F)cn3)c2)CC1.COc1ccc(-c2cc(C(F)(F)F)n(-c3ccc(NC(=O)c4cccc(Br)c4)nc3)n2)cn1.Cc1ccc(C(=O)Nc2ccc(-n3nc(-c4cccnc4)cc3C(F)(F)F)cn2)cc1I.O=C(Nc1ccccn1)c1cccc(C(=O)Nc2ccc(-n3nc(-c4cccnc4)cc3C(F)(F)F)cn2)c1
• InChI: InChI=1S/C28H28F3N7O.C27H27F3N8O.C27H18F3N7O2.C27H26F3N7O.C22H15BrF3N5O2.C22H15F3IN5O/c1-19(2)36-11-13-37(14-12-36)22-7-3-5-20(15-22)27(39)34-26-9-8-23(18-33-26)38-25(28(29,30)31)16-24(35-38)21-6-4-10-32-17-21;1-18(2)36-11-13-37(14-12-36)21-7-3-5-19(15-21)26(39)32-24-8-9-25(34-33-24)38-23(27(28,29)30)16-22(35-38)20-6-4-10-31-17-20;28-27(29,30)22-14-21(19-7-4-11-31-15-19)36-37(22)20-9-10-24(33-16-20)35-26(39)18-6-3-5-17(13-18)25(38)34-23-8-1-2-12-32-23;1-2-35-11-13-36(14-12-35)21-7-3-5-19(15-21)26(38)33-25-9-8-22(18-32-25)37-24(27(28,29)30)16-23(34-37)20-6-4-10-31-17-20;1-33-20-8-5-14(11-28-20)17-10-18(22(24,25)26)31(30-17)16-6-7-19(27-12-16)29-21(32)13-3-2-4-15(23)9-13;1-13-4-5-14(9-17(13)26)21(32)29-20-7-6-16(12-28-20)31-19(22(23,24)25)10-18(30-31)15-3-2-8-27-11-15/h3-10,15-19H,11-14H2,1-2H3,(H,33,34,39);3-10,15-18H,11-14H2,1-2H3,(H,32,33,39);1-16H,(H,32,34,38)(H,33,35,39);3-10,15-18H,2,11-14H2,1H3,(H,32,33,38);2-12H,1H3,(H,27,29,32);2-12H,1H3,(H,28,29,32)
• InChIKey: LMDHNORXBXUCIO-UHFFFAOYSA-N
• XLogP: 30.53
• TPSA: 519.75 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 40
• Rotatable Bonds: 33
• Heavy Atoms: 220
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	3190.75
LogP ≤ 5	30.53
H-Bond Donors ≤ 5	7
H-Bond Acceptors ≤ 10	40

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-[5-[3-(6-methoxy-3-pyridinyl)-5-(trifluoromethyl)pyrazol-1-yl]-2-pyridinyl]benzamide;3-(4-ethylpiperazin-1-yl)-N-[5-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]-2-pyridinyl]benzamide;3-iodo-4-methyl-N-[5-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]-2-pyridinyl]benzamide;3-(4-propan-2-ylpiperazin-1-yl)-N-[6-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]pyridazin-3-yl]benzamide;3-(4-propan-2-ylpiperazin-1-yl)-N-[5-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]-2-pyridinyl]benzamide;1-N-pyridin-2-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-[5-[3-(6-methoxy-3-pyridinyl)-5-(trifluoromethyl)pyrazol-1-yl]-2-pyridinyl]benzamide;3-(4-ethylpiperazin-1-yl)-N-[5-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]-2-pyridinyl]benzamide;3-iodo-4-methyl-N-[5-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]-2-pyridinyl]benzamide;3-(4-propan-2-ylpiperazin-1-yl)-N-[6-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]pyridazin-3-yl]benzamide;3-(4-propan-2-ylpiperazin-1-yl)-N-[5-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]-2-pyridinyl]benzamide;1-N-pyridin-2-yl-3-N-[5-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]-2-pyridinyl]benzene-1,3-dicarboxamide (CID 159391225) is 3-bromo-N-[5-[3-(6-methoxy-3-pyridinyl)-5-(trifluoromethyl)pyrazol-1-yl]-2-pyridinyl]benzamide;3-(4-ethylpiperazin-1-yl)-N-[5-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]-2-pyridinyl]benzamide;3-iodo-4-methyl-N-[5-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]-2-pyridinyl]benzamide;3-(4-propan-2-ylpiperazin-1-yl)-N-[6-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]pyridazin-3-yl]benzamide;3-(4-propan-2-ylpiperazin-1-yl)-N-[5-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]-2-pyridinyl]benzamide;1-N-pyridin-2-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-[5-[3-(6-methoxy-3-pyridinyl)-5-(trifluoromethyl)pyrazol-1-yl]-2-pyridinyl]benzamide;3-(4-ethylpiperazin-1-yl)-N-[5-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]-2-pyridinyl]benzamide;3-iodo-4-methyl-N-[5-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]-2-pyridinyl]benzamide;3-(4-propan-2-ylpiperazin-1-yl)-N-[6-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]pyridazin-3-yl]benzamide;3-(4-propan-2-ylpiperazin-1-yl)-N-[5-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]-2-pyridinyl]benzamide;1-N-pyridin-2-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-[5-[3-(6-methoxy-3-pyridinyl)-5-(trifluoromethyl)pyrazol-1-yl]-2-pyridinyl]benzamide;3-(4-ethylpiperazin-1-yl)-N-[5-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]-2-pyridinyl]benzamide;3-iodo-4-methyl-N-[5-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]-2-pyridinyl]benzamide;3-(4-propan-2-ylpiperazin-1-yl)-N-[6-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]pyridazin-3-yl]benzamide;3-(4-propan-2-ylpiperazin-1-yl)-N-[5-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]-2-pyridinyl]benzamide;1-N-pyridin-2-yl-3-N-[5-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]-2-pyridinyl]benzene-1,3-dicarboxamide is CC(C)N1CCN(c2cccc(C(=O)Nc3ccc(-n4nc(-c5cccnc5)cc4C(F)(F)F)cn3)c2)CC1.CC(C)N1CCN(c2cccc(C(=O)Nc3ccc(-n4nc(-c5cccnc5)cc4C(F)(F)F)nn3)c2)CC1.CCN1CCN(c2cccc(C(=O)Nc3ccc(-n4nc(-c5cccnc5)cc4C(F)(F)F)cn3)c2)CC1.COc1ccc(-c2cc(C(F)(F)F)n(-c3ccc(NC(=O)c4cccc(Br)c4)nc3)n2)cn1.Cc1ccc(C(=O)Nc2ccc(-n3nc(-c4cccnc4)cc3C(F)(F)F)cn2)cc1I.O=C(Nc1ccccn1)c1cccc(C(=O)Nc2ccc(-n3nc(-c4cccnc4)cc3C(F)(F)F)cn2)c1.

What is the InChIKey of 3-bromo-N-[5-[3-(6-methoxy-3-pyridinyl)-5-(trifluoromethyl)pyrazol-1-yl]-2-pyridinyl]benzamide;3-(4-ethylpiperazin-1-yl)-N-[5-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]-2-pyridinyl]benzamide;3-iodo-4-methyl-N-[5-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]-2-pyridinyl]benzamide;3-(4-propan-2-ylpiperazin-1-yl)-N-[6-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]pyridazin-3-yl]benzamide;3-(4-propan-2-ylpiperazin-1-yl)-N-[5-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]-2-pyridinyl]benzamide;1-N-pyridin-2-yl-3-N-[5-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]-2-pyridinyl]benzene-1,3-dicarboxamide?

The InChIKey is LMDHNORXBXUCIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H28F3N7O.C27H27F3N8O.C27H18F3N7O2.C27H26F3N7O.C22H15BrF3N5O2.C22H15F3IN5O/c1-19(2)36-11-13-37(14-12-36)22-7-3-5-20(15-22)27(39)34-26-9-8-23(18-33-26)38-25(28(29,30)31)16-24(35-38)21-6-4-10-32-17-21;1-18(2)36-11-13-37(14-12-36)21-7-3-5-19(15-21)26(39)32-24-8-9-25(34-33-24)38-23(27(28,29)30)16-22(35-38)20-6-4-10-31-17-20;28-27(29,30)22-14-21(19-7-4-11-31-15-19)36-37(22)20-9-10-24(33-16-20)35-26(39)18-6-3-5-17(13-18)25(38)34-23-8-1-2-12-32-23;1-2-35-11-13-36(14-12-35)21-7-3-5-19(15-21)26(38)33-25-9-8-22(18-32-25)37-24(27(28,29)30)16-23(34-37)20-6-4-10-31-17-20;1-33-20-8-5-14(11-28-20)17-10-18(22(24,25)26)31(30-17)16-6-7-19(27-12-16)29-21(32)13-3-2-4-15(23)9-13;1-13-4-5-14(9-17(13)26)21(32)29-20-7-6-16(12-28-20)31-19(22(23,24)25)10-18(30-31)15-3-2-8-27-11-15/h3-10,15-19H,11-14H2,1-2H3,(H,33,34,39);3-10,15-18H,11-14H2,1-2H3,(H,32,33,39);1-16H,(H,32,34,38)(H,33,35,39);3-10,15-18H,2,11-14H2,1H3,(H,32,33,38);2-12H,1H3,(H,27,29,32);2-12H,1H3,(H,28,29,32).

What are the key properties of 3-bromo-N-[5-[3-(6-methoxy-3-pyridinyl)-5-(trifluoromethyl)pyrazol-1-yl]-2-pyridinyl]benzamide;3-(4-ethylpiperazin-1-yl)-N-[5-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]-2-pyridinyl]benzamide;3-iodo-4-methyl-N-[5-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]-2-pyridinyl]benzamide;3-(4-propan-2-ylpiperazin-1-yl)-N-[6-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]pyridazin-3-yl]benzamide;3-(4-propan-2-ylpiperazin-1-yl)-N-[5-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]-2-pyridinyl]benzamide;1-N-pyridin-2-yl-3-N-[5-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]-2-pyridinyl]benzene-1,3-dicarboxamide?

3-bromo-N-[5-[3-(6-methoxy-3-pyridinyl)-5-(trifluoromethyl)pyrazol-1-yl]-2-pyridinyl]benzamide;3-(4-ethylpiperazin-1-yl)-N-[5-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]-2-pyridinyl]benzamide;3-iodo-4-methyl-N-[5-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]-2-pyridinyl]benzamide;3-(4-propan-2-ylpiperazin-1-yl)-N-[6-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]pyridazin-3-yl]benzamide;3-(4-propan-2-ylpiperazin-1-yl)-N-[5-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]-2-pyridinyl]benzamide;1-N-pyridin-2-yl-3-N-[5-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]-2-pyridinyl]benzene-1,3-dicarboxamide has a molecular weight of 3190.75 g/mol, XLogP of 30.53, 33 rotatable bonds, 7 hydrogen bond donors, and 40 hydrogen bond acceptors.

Where does this data come from?

All data for 3-bromo-N-[5-[3-(6-methoxy-3-pyridinyl)-5-(trifluoromethyl)pyrazol-1-yl]-2-pyridinyl]benzamide;3-(4-ethylpiperazin-1-yl)-N-[5-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]-2-pyridinyl]benzamide;3-iodo-4-methyl-N-[5-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]-2-pyridinyl]benzamide;3-(4-propan-2-ylpiperazin-1-yl)-N-[6-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]pyridazin-3-yl]benzamide;3-(4-propan-2-ylpiperazin-1-yl)-N-[5-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]-2-pyridinyl]benzamide;1-N-pyridin-2-yl-3-N-[5-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]-2-pyridinyl]benzene-1,3-dicarboxamide is sourced from PubChem (CID 159391225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).