N-[4-fluoro-3-(4-methylpiperazin-1-yl)-5-(trifluoromethyl)phenyl]-4-methyl-3-[4-(2-methyl-1,3-thiazol-5-yl)triazol-1-yl]benzamide;N-[4-fluoro-3-(4-methylpiperazin-1-yl)-5-(trifluoromethyl)phenyl]-4-methyl-3-[4-(5-morpholin-4-yl-3-pyridinyl)triazol-1-yl]benzamide;4-methyl-N-[3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)phenyl]-3-[4-(1-methylpyrazol-4-yl)triazol-1-yl]benzamide;4-methyl-N-[3-(4-methylpiperazin-1-yl)-5-(trifluoromethyl)phenyl]-3-[4-(2-methyl-1,3-thiazol-5-yl)triazol-1-yl]benzamide;4-methyl-N-[3-(4-methylpiperazin-1-yl)-5-(trifluoromethyl)phenyl]-3-[4-(2-oxo-1,3-dihydroimidazo[4,5-b]pyridin-6-yl)triazol-1-yl]benzamide

C136H130F17N39O7S2 — CID 159011746

About N-[4-fluoro-3-(4-methylpiperazin-1-yl)-5-(trifluoromethyl)phenyl]-4-methyl-3-[4-(2-methyl-1,3-thiazol-5-yl)triazol-1-yl]benzamide;N-[4-fluoro-3-(4-methylpiperazin-1-yl)-5-(trifluoromethyl)phenyl]-4-methyl-3-[4-(5-morpholin-4-yl-3-pyridinyl)triazol-1-yl]benzamide;4-methyl-N-[3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)phenyl]-3-[4-(1-methylpyrazol-4-yl)triazol-1-yl]benzamide;4-methyl-N-[3-(4-methylpiperazin-1-yl)-5-(trifluoromethyl)phenyl]-3-[4-(2-methyl-1,3-thiazol-5-yl)triazol-1-yl]benzamide;4-methyl-N-[3-(4-methylpiperazin-1-yl)-5-(trifluoromethyl)phenyl]-3-[4-(2-oxo-1,3-dihydroimidazo[4,5-b]pyridin-6-yl)triazol-1-yl]benzamide

N-[4-fluoro-3-(4-methylpiperazin-1-yl)-5-(trifluoromethyl)phenyl]-4-methyl-3-[4-(2-methyl-1,3-thiazol-5-yl)triazol-1-yl]benzamide;N-[4-fluoro-3-(4-methylpiperazin-1-yl)-5-(trifluoromethyl)phenyl]-4-methyl-3-[4-(5-morpholin-4-yl-3-pyridinyl)triazol-1-yl]benzamide;4-methyl-N-[3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)phenyl]-3-[4-(1-methylpyrazol-4-yl)triazol-1-yl]benzamide;4-methyl-N-[3-(4-methylpiperazin-1-yl)-5-(trifluoromethyl)phenyl]-3-[4-(2-methyl-1,3-thiazol-5-yl)triazol-1-yl]benzamide;4-methyl-N-[3-(4-methylpiperazin-1-yl)-5-(trifluoromethyl)phenyl]-3-[4-(2-oxo-1,3-dihydroimidazo[4,5-b]pyridin-6-yl)triazol-1-yl]benzamide (PubChem CID 159011746) has the molecular formula C136H130F17N39O7S2 and a molecular weight of 2809.90 g/mol. Its IUPAC name is N-[4-fluoro-3-(4-methylpiperazin-1-yl)-5-(trifluoromethyl)phenyl]-4-methyl-3-[4-(2-methyl-1,3-thiazol-5-yl)triazol-1-yl]benzamide;N-[4-fluoro-3-(4-methylpiperazin-1-yl)-5-(trifluoromethyl)phenyl]-4-methyl-3-[4-(5-morpholin-4-yl-3-pyridinyl)triazol-1-yl]benzamide;4-methyl-N-[3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)phenyl]-3-[4-(1-methylpyrazol-4-yl)triazol-1-yl]benzamide;4-methyl-N-[3-(4-methylpiperazin-1-yl)-5-(trifluoromethyl)phenyl]-3-[4-(2-methyl-1,3-thiazol-5-yl)triazol-1-yl]benzamide;4-methyl-N-[3-(4-methylpiperazin-1-yl)-5-(trifluoromethyl)phenyl]-3-[4-(2-oxo-1,3-dihydroimidazo[4,5-b]pyridin-6-yl)triazol-1-yl]benzamide.

Molecular Properties

• Compound Name: N-[4-fluoro-3-(4-methylpiperazin-1-yl)-5-(trifluoromethyl)phenyl]-4-methyl-3-[4-(2-methyl-1,3-thiazol-5-yl)triazol-1-yl]benzamide;N-[4-fluoro-3-(4-methylpiperazin-1-yl)-5-(trifluoromethyl)phenyl]-4-methyl-3-[4-(5-morpholin-4-yl-3-pyridinyl)triazol-1-yl]benzamide;4-methyl-N-[3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)phenyl]-3-[4-(1-methylpyrazol-4-yl)triazol-1-yl]benzamide;4-methyl-N-[3-(4-methylpiperazin-1-yl)-5-(trifluoromethyl)phenyl]-3-[4-(2-methyl-1,3-thiazol-5-yl)triazol-1-yl]benzamide;4-methyl-N-[3-(4-methylpiperazin-1-yl)-5-(trifluoromethyl)phenyl]-3-[4-(2-oxo-1,3-dihydroimidazo[4,5-b]pyridin-6-yl)triazol-1-yl]benzamide
• PubChem CID: 159011746
• Molecular Formula: C136H130F17N39O7S2
• Molecular Weight: 2809.90 g/mol
• Exact Mass: 2808.02
• IUPAC Name: N-[4-fluoro-3-(4-methylpiperazin-1-yl)-5-(trifluoromethyl)phenyl]-4-methyl-3-[4-(2-methyl-1,3-thiazol-5-yl)triazol-1-yl]benzamide;N-[4-fluoro-3-(4-methylpiperazin-1-yl)-5-(trifluoromethyl)phenyl]-4-methyl-3-[4-(5-morpholin-4-yl-3-pyridinyl)triazol-1-yl]benzamide;4-methyl-N-[3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)phenyl]-3-[4-(1-methylpyrazol-4-yl)triazol-1-yl]benzamide;4-methyl-N-[3-(4-methylpiperazin-1-yl)-5-(trifluoromethyl)phenyl]-3-[4-(2-methyl-1,3-thiazol-5-yl)triazol-1-yl]benzamide;4-methyl-N-[3-(4-methylpiperazin-1-yl)-5-(trifluoromethyl)phenyl]-3-[4-(2-oxo-1,3-dihydroimidazo[4,5-b]pyridin-6-yl)triazol-1-yl]benzamide
• SMILES: Cc1ccc(C(=O)Nc2cc(N3CCN(C)CC3)c(F)c(C(F)(F)F)c2)cc1-n1cc(-c2cncc(N3CCOCC3)c2)nn1.Cc1ccc(C(=O)Nc2cc(N3CCN(C)CC3)cc(C(F)(F)F)c2)cc1-n1cc(-c2cnc3[nH]c(=O)[nH]c3c2)nn1.Cc1cn(-c2cc(NC(=O)c3ccc(C)c(-n4cc(-c5cnn(C)c5)nn4)c3)cc(C(F)(F)F)c2)cn1.Cc1ncc(-c2cn(-c3cc(C(=O)Nc4cc(N5CCN(C)CC5)c(F)c(C(F)(F)F)c4)ccc3C)nn2)s1.Cc1ncc(-c2cn(-c3cc(C(=O)Nc4cc(N5CCN(C)CC5)cc(C(F)(F)F)c4)ccc3C)nn2)s1
• InChI: InChI=1S/C31H32F4N8O2.C28H26F3N9O2.C26H25F4N7OS.C26H26F3N7OS.C25H21F3N8O/c1-20-3-4-21(14-27(20)43-19-26(38-39-43)22-13-24(18-36-17-22)41-9-11-45-12-10-41)30(44)37-23-15-25(31(33,34)35)29(32)28(16-23)42-7-5-40(2)6-8-42;1-16-3-4-17(10-24(16)40-15-23(36-37-40)18-9-22-25(32-14-18)35-27(42)34-22)26(41)33-20-11-19(28(29,30)31)12-21(13-20)39-7-5-38(2)6-8-39;1-15-4-5-17(10-21(15)37-14-20(33-34-37)23-13-31-16(2)39-23)25(38)32-18-11-19(26(28,29)30)24(27)22(12-18)36-8-6-35(3)7-9-36;1-16-4-5-18(10-23(16)36-15-22(32-33-36)24-14-30-17(2)38-24)25(37)31-20-11-19(26(27,28)29)12-21(13-20)35-8-6-34(3)7-9-35;1-15-4-5-17(6-23(15)36-13-22(32-33-36)18-10-30-34(3)12-18)24(37)31-20-7-19(25(26,27)28)8-21(9-20)35-11-16(2)29-14-35/h3-4,13-19H,5-12H2,1-2H3,(H,37,44);3-4,9-15H,5-8H2,1-2H3,(H,33,41)(H2,32,34,35,42);4-5,10-14H,6-9H2,1-3H3,(H,32,38);4-5,10-15H,6-9H2,1-3H3,(H,31,37);4-14H,1-3H3,(H,31,37)
• InChIKey: JSOQCEQTVDFAPF-UHFFFAOYSA-N
• XLogP: 23.41
• TPSA: 473.29 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 41
• Rotatable Bonds: 26
• Heavy Atoms: 201
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2809.90
LogP ≤ 5	23.41
H-Bond Donors ≤ 5	7
H-Bond Acceptors ≤ 10	41

Frequently Asked Questions

What is the IUPAC name of N-[4-fluoro-3-(4-methylpiperazin-1-yl)-5-(trifluoromethyl)phenyl]-4-methyl-3-[4-(2-methyl-1,3-thiazol-5-yl)triazol-1-yl]benzamide;N-[4-fluoro-3-(4-methylpiperazin-1-yl)-5-(trifluoromethyl)phenyl]-4-methyl-3-[4-(5-morpholin-4-yl-3-pyridinyl)triazol-1-yl]benzamide;4-methyl-N-[3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)phenyl]-3-[4-(1-methylpyrazol-4-yl)triazol-1-yl]benzamide;4-methyl-N-[3-(4-methylpiperazin-1-yl)-5-(trifluoromethyl)phenyl]-3-[4-(2-methyl-1,3-thiazol-5-yl)triazol-1-yl]benzamide;4-methyl-N-[3-(4-methylpiperazin-1-yl)-5-(trifluoromethyl)phenyl]-3-[4-(2-oxo-1,3-dihydroimidazo[4,5-b]pyridin-6-yl)triazol-1-yl]benzamide?

The IUPAC name of N-[4-fluoro-3-(4-methylpiperazin-1-yl)-5-(trifluoromethyl)phenyl]-4-methyl-3-[4-(2-methyl-1,3-thiazol-5-yl)triazol-1-yl]benzamide;N-[4-fluoro-3-(4-methylpiperazin-1-yl)-5-(trifluoromethyl)phenyl]-4-methyl-3-[4-(5-morpholin-4-yl-3-pyridinyl)triazol-1-yl]benzamide;4-methyl-N-[3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)phenyl]-3-[4-(1-methylpyrazol-4-yl)triazol-1-yl]benzamide;4-methyl-N-[3-(4-methylpiperazin-1-yl)-5-(trifluoromethyl)phenyl]-3-[4-(2-methyl-1,3-thiazol-5-yl)triazol-1-yl]benzamide;4-methyl-N-[3-(4-methylpiperazin-1-yl)-5-(trifluoromethyl)phenyl]-3-[4-(2-oxo-1,3-dihydroimidazo[4,5-b]pyridin-6-yl)triazol-1-yl]benzamide (CID 159011746) is N-[4-fluoro-3-(4-methylpiperazin-1-yl)-5-(trifluoromethyl)phenyl]-4-methyl-3-[4-(2-methyl-1,3-thiazol-5-yl)triazol-1-yl]benzamide;N-[4-fluoro-3-(4-methylpiperazin-1-yl)-5-(trifluoromethyl)phenyl]-4-methyl-3-[4-(5-morpholin-4-yl-3-pyridinyl)triazol-1-yl]benzamide;4-methyl-N-[3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)phenyl]-3-[4-(1-methylpyrazol-4-yl)triazol-1-yl]benzamide;4-methyl-N-[3-(4-methylpiperazin-1-yl)-5-(trifluoromethyl)phenyl]-3-[4-(2-methyl-1,3-thiazol-5-yl)triazol-1-yl]benzamide;4-methyl-N-[3-(4-methylpiperazin-1-yl)-5-(trifluoromethyl)phenyl]-3-[4-(2-oxo-1,3-dihydroimidazo[4,5-b]pyridin-6-yl)triazol-1-yl]benzamide.

What is the SMILES notation for N-[4-fluoro-3-(4-methylpiperazin-1-yl)-5-(trifluoromethyl)phenyl]-4-methyl-3-[4-(2-methyl-1,3-thiazol-5-yl)triazol-1-yl]benzamide;N-[4-fluoro-3-(4-methylpiperazin-1-yl)-5-(trifluoromethyl)phenyl]-4-methyl-3-[4-(5-morpholin-4-yl-3-pyridinyl)triazol-1-yl]benzamide;4-methyl-N-[3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)phenyl]-3-[4-(1-methylpyrazol-4-yl)triazol-1-yl]benzamide;4-methyl-N-[3-(4-methylpiperazin-1-yl)-5-(trifluoromethyl)phenyl]-3-[4-(2-methyl-1,3-thiazol-5-yl)triazol-1-yl]benzamide;4-methyl-N-[3-(4-methylpiperazin-1-yl)-5-(trifluoromethyl)phenyl]-3-[4-(2-oxo-1,3-dihydroimidazo[4,5-b]pyridin-6-yl)triazol-1-yl]benzamide?

The canonical SMILES for N-[4-fluoro-3-(4-methylpiperazin-1-yl)-5-(trifluoromethyl)phenyl]-4-methyl-3-[4-(2-methyl-1,3-thiazol-5-yl)triazol-1-yl]benzamide;N-[4-fluoro-3-(4-methylpiperazin-1-yl)-5-(trifluoromethyl)phenyl]-4-methyl-3-[4-(5-morpholin-4-yl-3-pyridinyl)triazol-1-yl]benzamide;4-methyl-N-[3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)phenyl]-3-[4-(1-methylpyrazol-4-yl)triazol-1-yl]benzamide;4-methyl-N-[3-(4-methylpiperazin-1-yl)-5-(trifluoromethyl)phenyl]-3-[4-(2-methyl-1,3-thiazol-5-yl)triazol-1-yl]benzamide;4-methyl-N-[3-(4-methylpiperazin-1-yl)-5-(trifluoromethyl)phenyl]-3-[4-(2-oxo-1,3-dihydroimidazo[4,5-b]pyridin-6-yl)triazol-1-yl]benzamide is Cc1ccc(C(=O)Nc2cc(N3CCN(C)CC3)c(F)c(C(F)(F)F)c2)cc1-n1cc(-c2cncc(N3CCOCC3)c2)nn1.Cc1ccc(C(=O)Nc2cc(N3CCN(C)CC3)cc(C(F)(F)F)c2)cc1-n1cc(-c2cnc3[nH]c(=O)[nH]c3c2)nn1.Cc1cn(-c2cc(NC(=O)c3ccc(C)c(-n4cc(-c5cnn(C)c5)nn4)c3)cc(C(F)(F)F)c2)cn1.Cc1ncc(-c2cn(-c3cc(C(=O)Nc4cc(N5CCN(C)CC5)c(F)c(C(F)(F)F)c4)ccc3C)nn2)s1.Cc1ncc(-c2cn(-c3cc(C(=O)Nc4cc(N5CCN(C)CC5)cc(C(F)(F)F)c4)ccc3C)nn2)s1.

What is the InChIKey of N-[4-fluoro-3-(4-methylpiperazin-1-yl)-5-(trifluoromethyl)phenyl]-4-methyl-3-[4-(2-methyl-1,3-thiazol-5-yl)triazol-1-yl]benzamide;N-[4-fluoro-3-(4-methylpiperazin-1-yl)-5-(trifluoromethyl)phenyl]-4-methyl-3-[4-(5-morpholin-4-yl-3-pyridinyl)triazol-1-yl]benzamide;4-methyl-N-[3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)phenyl]-3-[4-(1-methylpyrazol-4-yl)triazol-1-yl]benzamide;4-methyl-N-[3-(4-methylpiperazin-1-yl)-5-(trifluoromethyl)phenyl]-3-[4-(2-methyl-1,3-thiazol-5-yl)triazol-1-yl]benzamide;4-methyl-N-[3-(4-methylpiperazin-1-yl)-5-(trifluoromethyl)phenyl]-3-[4-(2-oxo-1,3-dihydroimidazo[4,5-b]pyridin-6-yl)triazol-1-yl]benzamide?

The InChIKey is JSOQCEQTVDFAPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H32F4N8O2.C28H26F3N9O2.C26H25F4N7OS.C26H26F3N7OS.C25H21F3N8O/c1-20-3-4-21(14-27(20)43-19-26(38-39-43)22-13-24(18-36-17-22)41-9-11-45-12-10-41)30(44)37-23-15-25(31(33,34)35)29(32)28(16-23)42-7-5-40(2)6-8-42;1-16-3-4-17(10-24(16)40-15-23(36-37-40)18-9-22-25(32-14-18)35-27(42)34-22)26(41)33-20-11-19(28(29,30)31)12-21(13-20)39-7-5-38(2)6-8-39;1-15-4-5-17(10-21(15)37-14-20(33-34-37)23-13-31-16(2)39-23)25(38)32-18-11-19(26(28,29)30)24(27)22(12-18)36-8-6-35(3)7-9-36;1-16-4-5-18(10-23(16)36-15-22(32-33-36)24-14-30-17(2)38-24)25(37)31-20-11-19(26(27,28)29)12-21(13-20)35-8-6-34(3)7-9-35;1-15-4-5-17(6-23(15)36-13-22(32-33-36)18-10-30-34(3)12-18)24(37)31-20-7-19(25(26,27)28)8-21(9-20)35-11-16(2)29-14-35/h3-4,13-19H,5-12H2,1-2H3,(H,37,44);3-4,9-15H,5-8H2,1-2H3,(H,33,41)(H2,32,34,35,42);4-5,10-14H,6-9H2,1-3H3,(H,32,38);4-5,10-15H,6-9H2,1-3H3,(H,31,37);4-14H,1-3H3,(H,31,37).

What are the key properties of N-[4-fluoro-3-(4-methylpiperazin-1-yl)-5-(trifluoromethyl)phenyl]-4-methyl-3-[4-(2-methyl-1,3-thiazol-5-yl)triazol-1-yl]benzamide;N-[4-fluoro-3-(4-methylpiperazin-1-yl)-5-(trifluoromethyl)phenyl]-4-methyl-3-[4-(5-morpholin-4-yl-3-pyridinyl)triazol-1-yl]benzamide;4-methyl-N-[3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)phenyl]-3-[4-(1-methylpyrazol-4-yl)triazol-1-yl]benzamide;4-methyl-N-[3-(4-methylpiperazin-1-yl)-5-(trifluoromethyl)phenyl]-3-[4-(2-methyl-1,3-thiazol-5-yl)triazol-1-yl]benzamide;4-methyl-N-[3-(4-methylpiperazin-1-yl)-5-(trifluoromethyl)phenyl]-3-[4-(2-oxo-1,3-dihydroimidazo[4,5-b]pyridin-6-yl)triazol-1-yl]benzamide?

N-[4-fluoro-3-(4-methylpiperazin-1-yl)-5-(trifluoromethyl)phenyl]-4-methyl-3-[4-(2-methyl-1,3-thiazol-5-yl)triazol-1-yl]benzamide;N-[4-fluoro-3-(4-methylpiperazin-1-yl)-5-(trifluoromethyl)phenyl]-4-methyl-3-[4-(5-morpholin-4-yl-3-pyridinyl)triazol-1-yl]benzamide;4-methyl-N-[3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)phenyl]-3-[4-(1-methylpyrazol-4-yl)triazol-1-yl]benzamide;4-methyl-N-[3-(4-methylpiperazin-1-yl)-5-(trifluoromethyl)phenyl]-3-[4-(2-methyl-1,3-thiazol-5-yl)triazol-1-yl]benzamide;4-methyl-N-[3-(4-methylpiperazin-1-yl)-5-(trifluoromethyl)phenyl]-3-[4-(2-oxo-1,3-dihydroimidazo[4,5-b]pyridin-6-yl)triazol-1-yl]benzamide has a molecular weight of 2809.90 g/mol, XLogP of 23.41, 26 rotatable bonds, 7 hydrogen bond donors, and 41 hydrogen bond acceptors.

Where does this data come from?

All data for N-[4-fluoro-3-(4-methylpiperazin-1-yl)-5-(trifluoromethyl)phenyl]-4-methyl-3-[4-(2-methyl-1,3-thiazol-5-yl)triazol-1-yl]benzamide;N-[4-fluoro-3-(4-methylpiperazin-1-yl)-5-(trifluoromethyl)phenyl]-4-methyl-3-[4-(5-morpholin-4-yl-3-pyridinyl)triazol-1-yl]benzamide;4-methyl-N-[3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)phenyl]-3-[4-(1-methylpyrazol-4-yl)triazol-1-yl]benzamide;4-methyl-N-[3-(4-methylpiperazin-1-yl)-5-(trifluoromethyl)phenyl]-3-[4-(2-methyl-1,3-thiazol-5-yl)triazol-1-yl]benzamide;4-methyl-N-[3-(4-methylpiperazin-1-yl)-5-(trifluoromethyl)phenyl]-3-[4-(2-oxo-1,3-dihydroimidazo[4,5-b]pyridin-6-yl)triazol-1-yl]benzamide is sourced from PubChem (CID 159011746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).