N-[6-[3-(dimethylamino)pyrrolidin-1-yl]-4-(trifluoromethyl)-2-pyridinyl]-3-[4-(1,5-dimethylpyrazol-4-yl)triazol-1-yl]-4-methylbenzamide;3-[4-(1,5-dimethylpyrazol-4-yl)triazol-1-yl]-4-methyl-N-[6-[methyl(2-methylpropyl)amino]-4-(trifluoromethyl)-2-pyridinyl]benzamide;3-[4-(1,5-dimethylpyrazol-4-yl)triazol-1-yl]-4-methyl-N-[6-(4-methylpiperazin-1-yl)-4-(trifluoromethyl)-2-pyridinyl]benzamide;3-[4-(1,5-dimethylpyrazol-4-yl)triazol-1-yl]-4-methyl-N-[6-morpholin-4-yl-4-(trifluoromethyl)-2-pyridinyl]benzamide;3-[4-(5-methoxy-3-pyridinyl)triazol-1-yl]-4-methyl-N-[6-morpholin-4-yl-4-(trifluoromethyl)-2-pyridinyl]benzamide

C130H136F15N41O8 — CID 161147299

About N-[6-[3-(dimethylamino)pyrrolidin-1-yl]-4-(trifluoromethyl)-2-pyridinyl]-3-[4-(1,5-dimethylpyrazol-4-yl)triazol-1-yl]-4-methylbenzamide;3-[4-(1,5-dimethylpyrazol-4-yl)triazol-1-yl]-4-methyl-N-[6-[methyl(2-methylpropyl)amino]-4-(trifluoromethyl)-2-pyridinyl]benzamide;3-[4-(1,5-dimethylpyrazol-4-yl)triazol-1-yl]-4-methyl-N-[6-(4-methylpiperazin-1-yl)-4-(trifluoromethyl)-2-pyridinyl]benzamide;3-[4-(1,5-dimethylpyrazol-4-yl)triazol-1-yl]-4-methyl-N-[6-morpholin-4-yl-4-(trifluoromethyl)-2-pyridinyl]benzamide;3-[4-(5-methoxy-3-pyridinyl)triazol-1-yl]-4-methyl-N-[6-morpholin-4-yl-4-(trifluoromethyl)-2-pyridinyl]benzamide

N-[6-[3-(dimethylamino)pyrrolidin-1-yl]-4-(trifluoromethyl)-2-pyridinyl]-3-[4-(1,5-dimethylpyrazol-4-yl)triazol-1-yl]-4-methylbenzamide;3-[4-(1,5-dimethylpyrazol-4-yl)triazol-1-yl]-4-methyl-N-[6-[methyl(2-methylpropyl)amino]-4-(trifluoromethyl)-2-pyridinyl]benzamide;3-[4-(1,5-dimethylpyrazol-4-yl)triazol-1-yl]-4-methyl-N-[6-(4-methylpiperazin-1-yl)-4-(trifluoromethyl)-2-pyridinyl]benzamide;3-[4-(1,5-dimethylpyrazol-4-yl)triazol-1-yl]-4-methyl-N-[6-morpholin-4-yl-4-(trifluoromethyl)-2-pyridinyl]benzamide;3-[4-(5-methoxy-3-pyridinyl)triazol-1-yl]-4-methyl-N-[6-morpholin-4-yl-4-(trifluoromethyl)-2-pyridinyl]benzamide (PubChem CID 161147299) has the molecular formula C130H136F15N41O8 and a molecular weight of 2685.77 g/mol. Its IUPAC name is N-[6-[3-(dimethylamino)pyrrolidin-1-yl]-4-(trifluoromethyl)-2-pyridinyl]-3-[4-(1,5-dimethylpyrazol-4-yl)triazol-1-yl]-4-methylbenzamide;3-[4-(1,5-dimethylpyrazol-4-yl)triazol-1-yl]-4-methyl-N-[6-[methyl(2-methylpropyl)amino]-4-(trifluoromethyl)-2-pyridinyl]benzamide;3-[4-(1,5-dimethylpyrazol-4-yl)triazol-1-yl]-4-methyl-N-[6-(4-methylpiperazin-1-yl)-4-(trifluoromethyl)-2-pyridinyl]benzamide;3-[4-(1,5-dimethylpyrazol-4-yl)triazol-1-yl]-4-methyl-N-[6-morpholin-4-yl-4-(trifluoromethyl)-2-pyridinyl]benzamide;3-[4-(5-methoxy-3-pyridinyl)triazol-1-yl]-4-methyl-N-[6-morpholin-4-yl-4-(trifluoromethyl)-2-pyridinyl]benzamide.

Molecular Properties

• Compound Name: N-[6-[3-(dimethylamino)pyrrolidin-1-yl]-4-(trifluoromethyl)-2-pyridinyl]-3-[4-(1,5-dimethylpyrazol-4-yl)triazol-1-yl]-4-methylbenzamide;3-[4-(1,5-dimethylpyrazol-4-yl)triazol-1-yl]-4-methyl-N-[6-[methyl(2-methylpropyl)amino]-4-(trifluoromethyl)-2-pyridinyl]benzamide;3-[4-(1,5-dimethylpyrazol-4-yl)triazol-1-yl]-4-methyl-N-[6-(4-methylpiperazin-1-yl)-4-(trifluoromethyl)-2-pyridinyl]benzamide;3-[4-(1,5-dimethylpyrazol-4-yl)triazol-1-yl]-4-methyl-N-[6-morpholin-4-yl-4-(trifluoromethyl)-2-pyridinyl]benzamide;3-[4-(5-methoxy-3-pyridinyl)triazol-1-yl]-4-methyl-N-[6-morpholin-4-yl-4-(trifluoromethyl)-2-pyridinyl]benzamide
• PubChem CID: 161147299
• Molecular Formula: C130H136F15N41O8
• Molecular Weight: 2685.77 g/mol
• Exact Mass: 2684.13
• IUPAC Name: N-[6-[3-(dimethylamino)pyrrolidin-1-yl]-4-(trifluoromethyl)-2-pyridinyl]-3-[4-(1,5-dimethylpyrazol-4-yl)triazol-1-yl]-4-methylbenzamide;3-[4-(1,5-dimethylpyrazol-4-yl)triazol-1-yl]-4-methyl-N-[6-[methyl(2-methylpropyl)amino]-4-(trifluoromethyl)-2-pyridinyl]benzamide;3-[4-(1,5-dimethylpyrazol-4-yl)triazol-1-yl]-4-methyl-N-[6-(4-methylpiperazin-1-yl)-4-(trifluoromethyl)-2-pyridinyl]benzamide;3-[4-(1,5-dimethylpyrazol-4-yl)triazol-1-yl]-4-methyl-N-[6-morpholin-4-yl-4-(trifluoromethyl)-2-pyridinyl]benzamide;3-[4-(5-methoxy-3-pyridinyl)triazol-1-yl]-4-methyl-N-[6-morpholin-4-yl-4-(trifluoromethyl)-2-pyridinyl]benzamide
• SMILES: COc1cncc(-c2cn(-c3cc(C(=O)Nc4cc(C(F)(F)F)cc(N5CCOCC5)n4)ccc3C)nn2)c1.Cc1ccc(C(=O)Nc2cc(C(F)(F)F)cc(N(C)CC(C)C)n2)cc1-n1cc(-c2cnn(C)c2C)nn1.Cc1ccc(C(=O)Nc2cc(C(F)(F)F)cc(N3CCC(N(C)C)C3)n2)cc1-n1cc(-c2cnn(C)c2C)nn1.Cc1ccc(C(=O)Nc2cc(C(F)(F)F)cc(N3CCN(C)CC3)n2)cc1-n1cc(-c2cnn(C)c2C)nn1.Cc1ccc(C(=O)Nc2cc(C(F)(F)F)cc(N3CCOCC3)n2)cc1-n1cc(-c2cnn(C)c2C)nn1
• InChI: InChI=1S/C27H30F3N9O.C26H28F3N9O.C26H29F3N8O.C26H24F3N7O3.C25H25F3N8O2/c1-16-6-7-18(10-23(16)39-15-22(34-35-39)21-13-31-37(5)17(21)2)26(40)33-24-11-19(27(28,29)30)12-25(32-24)38-9-8-20(14-38)36(3)4;1-16-5-6-18(11-22(16)38-15-21(33-34-38)20-14-30-36(4)17(20)2)25(39)32-23-12-19(26(27,28)29)13-24(31-23)37-9-7-35(3)8-10-37;1-15(2)13-35(5)24-11-19(26(27,28)29)10-23(31-24)32-25(38)18-8-7-16(3)22(9-18)37-14-21(33-34-37)20-12-30-36(6)17(20)4;1-16-3-4-17(10-22(16)36-15-21(33-34-36)18-9-20(38-2)14-30-13-18)25(37)32-23-11-19(26(27,28)29)12-24(31-23)35-5-7-39-8-6-35;1-15-4-5-17(10-21(15)36-14-20(32-33-36)19-13-29-34(3)16(19)2)24(37)31-22-11-18(25(26,27)28)12-23(30-22)35-6-8-38-9-7-35/h6-7,10-13,15,20H,8-9,14H2,1-5H3,(H,32,33,40);5-6,11-15H,7-10H2,1-4H3,(H,31,32,39);7-12,14-15H,13H2,1-6H3,(H,31,32,38);3-4,9-15H,5-8H2,1-2H3,(H,31,32,37);4-5,10-14H,6-9H2,1-3H3,(H,30,31,37)
• InChIKey: UOFMXOZUMNOIGH-UHFFFAOYSA-N
• XLogP: 20.77
• TPSA: 498.04 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 44
• Rotatable Bonds: 29
• Heavy Atoms: 194
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2685.77
LogP ≤ 5	20.77
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	44

Frequently Asked Questions

What is the IUPAC name of N-[6-[3-(dimethylamino)pyrrolidin-1-yl]-4-(trifluoromethyl)-2-pyridinyl]-3-[4-(1,5-dimethylpyrazol-4-yl)triazol-1-yl]-4-methylbenzamide;3-[4-(1,5-dimethylpyrazol-4-yl)triazol-1-yl]-4-methyl-N-[6-[methyl(2-methylpropyl)amino]-4-(trifluoromethyl)-2-pyridinyl]benzamide;3-[4-(1,5-dimethylpyrazol-4-yl)triazol-1-yl]-4-methyl-N-[6-(4-methylpiperazin-1-yl)-4-(trifluoromethyl)-2-pyridinyl]benzamide;3-[4-(1,5-dimethylpyrazol-4-yl)triazol-1-yl]-4-methyl-N-[6-morpholin-4-yl-4-(trifluoromethyl)-2-pyridinyl]benzamide;3-[4-(5-methoxy-3-pyridinyl)triazol-1-yl]-4-methyl-N-[6-morpholin-4-yl-4-(trifluoromethyl)-2-pyridinyl]benzamide?

The IUPAC name of N-[6-[3-(dimethylamino)pyrrolidin-1-yl]-4-(trifluoromethyl)-2-pyridinyl]-3-[4-(1,5-dimethylpyrazol-4-yl)triazol-1-yl]-4-methylbenzamide;3-[4-(1,5-dimethylpyrazol-4-yl)triazol-1-yl]-4-methyl-N-[6-[methyl(2-methylpropyl)amino]-4-(trifluoromethyl)-2-pyridinyl]benzamide;3-[4-(1,5-dimethylpyrazol-4-yl)triazol-1-yl]-4-methyl-N-[6-(4-methylpiperazin-1-yl)-4-(trifluoromethyl)-2-pyridinyl]benzamide;3-[4-(1,5-dimethylpyrazol-4-yl)triazol-1-yl]-4-methyl-N-[6-morpholin-4-yl-4-(trifluoromethyl)-2-pyridinyl]benzamide;3-[4-(5-methoxy-3-pyridinyl)triazol-1-yl]-4-methyl-N-[6-morpholin-4-yl-4-(trifluoromethyl)-2-pyridinyl]benzamide (CID 161147299) is N-[6-[3-(dimethylamino)pyrrolidin-1-yl]-4-(trifluoromethyl)-2-pyridinyl]-3-[4-(1,5-dimethylpyrazol-4-yl)triazol-1-yl]-4-methylbenzamide;3-[4-(1,5-dimethylpyrazol-4-yl)triazol-1-yl]-4-methyl-N-[6-[methyl(2-methylpropyl)amino]-4-(trifluoromethyl)-2-pyridinyl]benzamide;3-[4-(1,5-dimethylpyrazol-4-yl)triazol-1-yl]-4-methyl-N-[6-(4-methylpiperazin-1-yl)-4-(trifluoromethyl)-2-pyridinyl]benzamide;3-[4-(1,5-dimethylpyrazol-4-yl)triazol-1-yl]-4-methyl-N-[6-morpholin-4-yl-4-(trifluoromethyl)-2-pyridinyl]benzamide;3-[4-(5-methoxy-3-pyridinyl)triazol-1-yl]-4-methyl-N-[6-morpholin-4-yl-4-(trifluoromethyl)-2-pyridinyl]benzamide.

What is the SMILES notation for N-[6-[3-(dimethylamino)pyrrolidin-1-yl]-4-(trifluoromethyl)-2-pyridinyl]-3-[4-(1,5-dimethylpyrazol-4-yl)triazol-1-yl]-4-methylbenzamide;3-[4-(1,5-dimethylpyrazol-4-yl)triazol-1-yl]-4-methyl-N-[6-[methyl(2-methylpropyl)amino]-4-(trifluoromethyl)-2-pyridinyl]benzamide;3-[4-(1,5-dimethylpyrazol-4-yl)triazol-1-yl]-4-methyl-N-[6-(4-methylpiperazin-1-yl)-4-(trifluoromethyl)-2-pyridinyl]benzamide;3-[4-(1,5-dimethylpyrazol-4-yl)triazol-1-yl]-4-methyl-N-[6-morpholin-4-yl-4-(trifluoromethyl)-2-pyridinyl]benzamide;3-[4-(5-methoxy-3-pyridinyl)triazol-1-yl]-4-methyl-N-[6-morpholin-4-yl-4-(trifluoromethyl)-2-pyridinyl]benzamide?

The canonical SMILES for N-[6-[3-(dimethylamino)pyrrolidin-1-yl]-4-(trifluoromethyl)-2-pyridinyl]-3-[4-(1,5-dimethylpyrazol-4-yl)triazol-1-yl]-4-methylbenzamide;3-[4-(1,5-dimethylpyrazol-4-yl)triazol-1-yl]-4-methyl-N-[6-[methyl(2-methylpropyl)amino]-4-(trifluoromethyl)-2-pyridinyl]benzamide;3-[4-(1,5-dimethylpyrazol-4-yl)triazol-1-yl]-4-methyl-N-[6-(4-methylpiperazin-1-yl)-4-(trifluoromethyl)-2-pyridinyl]benzamide;3-[4-(1,5-dimethylpyrazol-4-yl)triazol-1-yl]-4-methyl-N-[6-morpholin-4-yl-4-(trifluoromethyl)-2-pyridinyl]benzamide;3-[4-(5-methoxy-3-pyridinyl)triazol-1-yl]-4-methyl-N-[6-morpholin-4-yl-4-(trifluoromethyl)-2-pyridinyl]benzamide is COc1cncc(-c2cn(-c3cc(C(=O)Nc4cc(C(F)(F)F)cc(N5CCOCC5)n4)ccc3C)nn2)c1.Cc1ccc(C(=O)Nc2cc(C(F)(F)F)cc(N(C)CC(C)C)n2)cc1-n1cc(-c2cnn(C)c2C)nn1.Cc1ccc(C(=O)Nc2cc(C(F)(F)F)cc(N3CCC(N(C)C)C3)n2)cc1-n1cc(-c2cnn(C)c2C)nn1.Cc1ccc(C(=O)Nc2cc(C(F)(F)F)cc(N3CCN(C)CC3)n2)cc1-n1cc(-c2cnn(C)c2C)nn1.Cc1ccc(C(=O)Nc2cc(C(F)(F)F)cc(N3CCOCC3)n2)cc1-n1cc(-c2cnn(C)c2C)nn1.

What is the InChIKey of N-[6-[3-(dimethylamino)pyrrolidin-1-yl]-4-(trifluoromethyl)-2-pyridinyl]-3-[4-(1,5-dimethylpyrazol-4-yl)triazol-1-yl]-4-methylbenzamide;3-[4-(1,5-dimethylpyrazol-4-yl)triazol-1-yl]-4-methyl-N-[6-[methyl(2-methylpropyl)amino]-4-(trifluoromethyl)-2-pyridinyl]benzamide;3-[4-(1,5-dimethylpyrazol-4-yl)triazol-1-yl]-4-methyl-N-[6-(4-methylpiperazin-1-yl)-4-(trifluoromethyl)-2-pyridinyl]benzamide;3-[4-(1,5-dimethylpyrazol-4-yl)triazol-1-yl]-4-methyl-N-[6-morpholin-4-yl-4-(trifluoromethyl)-2-pyridinyl]benzamide;3-[4-(5-methoxy-3-pyridinyl)triazol-1-yl]-4-methyl-N-[6-morpholin-4-yl-4-(trifluoromethyl)-2-pyridinyl]benzamide?

The InChIKey is UOFMXOZUMNOIGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H30F3N9O.C26H28F3N9O.C26H29F3N8O.C26H24F3N7O3.C25H25F3N8O2/c1-16-6-7-18(10-23(16)39-15-22(34-35-39)21-13-31-37(5)17(21)2)26(40)33-24-11-19(27(28,29)30)12-25(32-24)38-9-8-20(14-38)36(3)4;1-16-5-6-18(11-22(16)38-15-21(33-34-38)20-14-30-36(4)17(20)2)25(39)32-23-12-19(26(27,28)29)13-24(31-23)37-9-7-35(3)8-10-37;1-15(2)13-35(5)24-11-19(26(27,28)29)10-23(31-24)32-25(38)18-8-7-16(3)22(9-18)37-14-21(33-34-37)20-12-30-36(6)17(20)4;1-16-3-4-17(10-22(16)36-15-21(33-34-36)18-9-20(38-2)14-30-13-18)25(37)32-23-11-19(26(27,28)29)12-24(31-23)35-5-7-39-8-6-35;1-15-4-5-17(10-21(15)36-14-20(32-33-36)19-13-29-34(3)16(19)2)24(37)31-22-11-18(25(26,27)28)12-23(30-22)35-6-8-38-9-7-35/h6-7,10-13,15,20H,8-9,14H2,1-5H3,(H,32,33,40);5-6,11-15H,7-10H2,1-4H3,(H,31,32,39);7-12,14-15H,13H2,1-6H3,(H,31,32,38);3-4,9-15H,5-8H2,1-2H3,(H,31,32,37);4-5,10-14H,6-9H2,1-3H3,(H,30,31,37).

What are the key properties of N-[6-[3-(dimethylamino)pyrrolidin-1-yl]-4-(trifluoromethyl)-2-pyridinyl]-3-[4-(1,5-dimethylpyrazol-4-yl)triazol-1-yl]-4-methylbenzamide;3-[4-(1,5-dimethylpyrazol-4-yl)triazol-1-yl]-4-methyl-N-[6-[methyl(2-methylpropyl)amino]-4-(trifluoromethyl)-2-pyridinyl]benzamide;3-[4-(1,5-dimethylpyrazol-4-yl)triazol-1-yl]-4-methyl-N-[6-(4-methylpiperazin-1-yl)-4-(trifluoromethyl)-2-pyridinyl]benzamide;3-[4-(1,5-dimethylpyrazol-4-yl)triazol-1-yl]-4-methyl-N-[6-morpholin-4-yl-4-(trifluoromethyl)-2-pyridinyl]benzamide;3-[4-(5-methoxy-3-pyridinyl)triazol-1-yl]-4-methyl-N-[6-morpholin-4-yl-4-(trifluoromethyl)-2-pyridinyl]benzamide?

N-[6-[3-(dimethylamino)pyrrolidin-1-yl]-4-(trifluoromethyl)-2-pyridinyl]-3-[4-(1,5-dimethylpyrazol-4-yl)triazol-1-yl]-4-methylbenzamide;3-[4-(1,5-dimethylpyrazol-4-yl)triazol-1-yl]-4-methyl-N-[6-[methyl(2-methylpropyl)amino]-4-(trifluoromethyl)-2-pyridinyl]benzamide;3-[4-(1,5-dimethylpyrazol-4-yl)triazol-1-yl]-4-methyl-N-[6-(4-methylpiperazin-1-yl)-4-(trifluoromethyl)-2-pyridinyl]benzamide;3-[4-(1,5-dimethylpyrazol-4-yl)triazol-1-yl]-4-methyl-N-[6-morpholin-4-yl-4-(trifluoromethyl)-2-pyridinyl]benzamide;3-[4-(5-methoxy-3-pyridinyl)triazol-1-yl]-4-methyl-N-[6-morpholin-4-yl-4-(trifluoromethyl)-2-pyridinyl]benzamide has a molecular weight of 2685.77 g/mol, XLogP of 20.77, 29 rotatable bonds, 5 hydrogen bond donors, and 44 hydrogen bond acceptors.

Where does this data come from?

All data for N-[6-[3-(dimethylamino)pyrrolidin-1-yl]-4-(trifluoromethyl)-2-pyridinyl]-3-[4-(1,5-dimethylpyrazol-4-yl)triazol-1-yl]-4-methylbenzamide;3-[4-(1,5-dimethylpyrazol-4-yl)triazol-1-yl]-4-methyl-N-[6-[methyl(2-methylpropyl)amino]-4-(trifluoromethyl)-2-pyridinyl]benzamide;3-[4-(1,5-dimethylpyrazol-4-yl)triazol-1-yl]-4-methyl-N-[6-(4-methylpiperazin-1-yl)-4-(trifluoromethyl)-2-pyridinyl]benzamide;3-[4-(1,5-dimethylpyrazol-4-yl)triazol-1-yl]-4-methyl-N-[6-morpholin-4-yl-4-(trifluoromethyl)-2-pyridinyl]benzamide;3-[4-(5-methoxy-3-pyridinyl)triazol-1-yl]-4-methyl-N-[6-morpholin-4-yl-4-(trifluoromethyl)-2-pyridinyl]benzamide is sourced from PubChem (CID 161147299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).