N-benzyl-2-methyl-3-[6-[4-(trifluoromethyl)anilino]pyrazin-2-yl]benzimidazol-5-amine;1-[3,5-dimethyl-4-[6-[4-(trifluoromethyl)anilino]pyrazin-2-yl]pyrazol-1-yl]ethanone;6-[1,5-dimethyl-3-(trifluoromethyl)pyrazol-4-yl]-N-[4-(trifluoromethyl)phenyl]pyrazin-2-amine;ethyl 4-[6-[4-(difluoromethoxy)anilino]pyrazin-2-yl]-3,5-dimethylpyrazole-1-carboxylate;ethyl 3,5-dimethyl-4-[6-[4-(trifluoromethyl)anilino]pyrazin-2-yl]pyrazole-1-carboxylate

C99H87F17N26O6 — CID 159291145

About N-benzyl-2-methyl-3-[6-[4-(trifluoromethyl)anilino]pyrazin-2-yl]benzimidazol-5-amine;1-[3,5-dimethyl-4-[6-[4-(trifluoromethyl)anilino]pyrazin-2-yl]pyrazol-1-yl]ethanone;6-[1,5-dimethyl-3-(trifluoromethyl)pyrazol-4-yl]-N-[4-(trifluoromethyl)phenyl]pyrazin-2-amine;ethyl 4-[6-[4-(difluoromethoxy)anilino]pyrazin-2-yl]-3,5-dimethylpyrazole-1-carboxylate;ethyl 3,5-dimethyl-4-[6-[4-(trifluoromethyl)anilino]pyrazin-2-yl]pyrazole-1-carboxylate

N-benzyl-2-methyl-3-[6-[4-(trifluoromethyl)anilino]pyrazin-2-yl]benzimidazol-5-amine;1-[3,5-dimethyl-4-[6-[4-(trifluoromethyl)anilino]pyrazin-2-yl]pyrazol-1-yl]ethanone;6-[1,5-dimethyl-3-(trifluoromethyl)pyrazol-4-yl]-N-[4-(trifluoromethyl)phenyl]pyrazin-2-amine;ethyl 4-[6-[4-(difluoromethoxy)anilino]pyrazin-2-yl]-3,5-dimethylpyrazole-1-carboxylate;ethyl 3,5-dimethyl-4-[6-[4-(trifluoromethyl)anilino]pyrazin-2-yl]pyrazole-1-carboxylate (PubChem CID 159291145) has the molecular formula C99H87F17N26O6 and a molecular weight of 2059.93 g/mol. Its IUPAC name is N-benzyl-2-methyl-3-[6-[4-(trifluoromethyl)anilino]pyrazin-2-yl]benzimidazol-5-amine;1-[3,5-dimethyl-4-[6-[4-(trifluoromethyl)anilino]pyrazin-2-yl]pyrazol-1-yl]ethanone;6-[1,5-dimethyl-3-(trifluoromethyl)pyrazol-4-yl]-N-[4-(trifluoromethyl)phenyl]pyrazin-2-amine;ethyl 4-[6-[4-(difluoromethoxy)anilino]pyrazin-2-yl]-3,5-dimethylpyrazole-1-carboxylate;ethyl 3,5-dimethyl-4-[6-[4-(trifluoromethyl)anilino]pyrazin-2-yl]pyrazole-1-carboxylate.

Molecular Properties

• Compound Name: N-benzyl-2-methyl-3-[6-[4-(trifluoromethyl)anilino]pyrazin-2-yl]benzimidazol-5-amine;1-[3,5-dimethyl-4-[6-[4-(trifluoromethyl)anilino]pyrazin-2-yl]pyrazol-1-yl]ethanone;6-[1,5-dimethyl-3-(trifluoromethyl)pyrazol-4-yl]-N-[4-(trifluoromethyl)phenyl]pyrazin-2-amine;ethyl 4-[6-[4-(difluoromethoxy)anilino]pyrazin-2-yl]-3,5-dimethylpyrazole-1-carboxylate;ethyl 3,5-dimethyl-4-[6-[4-(trifluoromethyl)anilino]pyrazin-2-yl]pyrazole-1-carboxylate
• PubChem CID: 159291145
• Molecular Formula: C99H87F17N26O6
• Molecular Weight: 2059.93 g/mol
• Exact Mass: 2058.70
• IUPAC Name: N-benzyl-2-methyl-3-[6-[4-(trifluoromethyl)anilino]pyrazin-2-yl]benzimidazol-5-amine;1-[3,5-dimethyl-4-[6-[4-(trifluoromethyl)anilino]pyrazin-2-yl]pyrazol-1-yl]ethanone;6-[1,5-dimethyl-3-(trifluoromethyl)pyrazol-4-yl]-N-[4-(trifluoromethyl)phenyl]pyrazin-2-amine;ethyl 4-[6-[4-(difluoromethoxy)anilino]pyrazin-2-yl]-3,5-dimethylpyrazole-1-carboxylate;ethyl 3,5-dimethyl-4-[6-[4-(trifluoromethyl)anilino]pyrazin-2-yl]pyrazole-1-carboxylate
• SMILES: CC(=O)n1nc(C)c(-c2cncc(Nc3ccc(C(F)(F)F)cc3)n2)c1C.CCOC(=O)n1nc(C)c(-c2cncc(Nc3ccc(C(F)(F)F)cc3)n2)c1C.CCOC(=O)n1nc(C)c(-c2cncc(Nc3ccc(OC(F)F)cc3)n2)c1C.Cc1c(-c2cncc(Nc3ccc(C(F)(F)F)cc3)n2)c(C(F)(F)F)nn1C.Cc1nc2ccc(NCc3ccccc3)cc2n1-c1cncc(Nc2ccc(C(F)(F)F)cc2)n1
• InChI: InChI=1S/C26H21F3N6.C19H18F3N5O2.C19H19F2N5O3.C18H16F3N5O.C17H13F6N5/c1-17-32-22-12-11-21(31-14-18-5-3-2-4-6-18)13-23(22)35(17)25-16-30-15-24(34-25)33-20-9-7-19(8-10-20)26(27,28)29;1-4-29-18(28)27-12(3)17(11(2)26-27)15-9-23-10-16(25-15)24-14-7-5-13(6-8-14)19(20,21)22;1-4-28-19(27)26-12(3)17(11(2)25-26)15-9-22-10-16(24-15)23-13-5-7-14(8-6-13)29-18(20)21;1-10-17(11(2)26(25-10)12(3)27)15-8-22-9-16(24-15)23-14-6-4-13(5-7-14)18(19,20)21;1-9-14(15(17(21,22)23)27-28(9)2)12-7-24-8-13(26-12)25-11-5-3-10(4-6-11)16(18,19)20/h2-13,15-16,31H,14H2,1H3,(H,33,34);5-10H,4H2,1-3H3,(H,24,25);5-10,18H,4H2,1-3H3,(H,23,24);4-9H,1-3H3,(H,23,24);3-8H,1-2H3,(H,25,26)
• InChIKey: LADFXGUTZHLIRD-UHFFFAOYSA-N
• XLogP: 24.88
• TPSA: 369.08 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 32
• Rotatable Bonds: 22
• Heavy Atoms: 148
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2059.93
LogP ≤ 5	24.88
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	32

Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-methyl-3-[6-[4-(trifluoromethyl)anilino]pyrazin-2-yl]benzimidazol-5-amine;1-[3,5-dimethyl-4-[6-[4-(trifluoromethyl)anilino]pyrazin-2-yl]pyrazol-1-yl]ethanone;6-[1,5-dimethyl-3-(trifluoromethyl)pyrazol-4-yl]-N-[4-(trifluoromethyl)phenyl]pyrazin-2-amine;ethyl 4-[6-[4-(difluoromethoxy)anilino]pyrazin-2-yl]-3,5-dimethylpyrazole-1-carboxylate;ethyl 3,5-dimethyl-4-[6-[4-(trifluoromethyl)anilino]pyrazin-2-yl]pyrazole-1-carboxylate?

The IUPAC name of N-benzyl-2-methyl-3-[6-[4-(trifluoromethyl)anilino]pyrazin-2-yl]benzimidazol-5-amine;1-[3,5-dimethyl-4-[6-[4-(trifluoromethyl)anilino]pyrazin-2-yl]pyrazol-1-yl]ethanone;6-[1,5-dimethyl-3-(trifluoromethyl)pyrazol-4-yl]-N-[4-(trifluoromethyl)phenyl]pyrazin-2-amine;ethyl 4-[6-[4-(difluoromethoxy)anilino]pyrazin-2-yl]-3,5-dimethylpyrazole-1-carboxylate;ethyl 3,5-dimethyl-4-[6-[4-(trifluoromethyl)anilino]pyrazin-2-yl]pyrazole-1-carboxylate (CID 159291145) is N-benzyl-2-methyl-3-[6-[4-(trifluoromethyl)anilino]pyrazin-2-yl]benzimidazol-5-amine;1-[3,5-dimethyl-4-[6-[4-(trifluoromethyl)anilino]pyrazin-2-yl]pyrazol-1-yl]ethanone;6-[1,5-dimethyl-3-(trifluoromethyl)pyrazol-4-yl]-N-[4-(trifluoromethyl)phenyl]pyrazin-2-amine;ethyl 4-[6-[4-(difluoromethoxy)anilino]pyrazin-2-yl]-3,5-dimethylpyrazole-1-carboxylate;ethyl 3,5-dimethyl-4-[6-[4-(trifluoromethyl)anilino]pyrazin-2-yl]pyrazole-1-carboxylate.

What is the SMILES notation for N-benzyl-2-methyl-3-[6-[4-(trifluoromethyl)anilino]pyrazin-2-yl]benzimidazol-5-amine;1-[3,5-dimethyl-4-[6-[4-(trifluoromethyl)anilino]pyrazin-2-yl]pyrazol-1-yl]ethanone;6-[1,5-dimethyl-3-(trifluoromethyl)pyrazol-4-yl]-N-[4-(trifluoromethyl)phenyl]pyrazin-2-amine;ethyl 4-[6-[4-(difluoromethoxy)anilino]pyrazin-2-yl]-3,5-dimethylpyrazole-1-carboxylate;ethyl 3,5-dimethyl-4-[6-[4-(trifluoromethyl)anilino]pyrazin-2-yl]pyrazole-1-carboxylate?

The canonical SMILES for N-benzyl-2-methyl-3-[6-[4-(trifluoromethyl)anilino]pyrazin-2-yl]benzimidazol-5-amine;1-[3,5-dimethyl-4-[6-[4-(trifluoromethyl)anilino]pyrazin-2-yl]pyrazol-1-yl]ethanone;6-[1,5-dimethyl-3-(trifluoromethyl)pyrazol-4-yl]-N-[4-(trifluoromethyl)phenyl]pyrazin-2-amine;ethyl 4-[6-[4-(difluoromethoxy)anilino]pyrazin-2-yl]-3,5-dimethylpyrazole-1-carboxylate;ethyl 3,5-dimethyl-4-[6-[4-(trifluoromethyl)anilino]pyrazin-2-yl]pyrazole-1-carboxylate is CC(=O)n1nc(C)c(-c2cncc(Nc3ccc(C(F)(F)F)cc3)n2)c1C.CCOC(=O)n1nc(C)c(-c2cncc(Nc3ccc(C(F)(F)F)cc3)n2)c1C.CCOC(=O)n1nc(C)c(-c2cncc(Nc3ccc(OC(F)F)cc3)n2)c1C.Cc1c(-c2cncc(Nc3ccc(C(F)(F)F)cc3)n2)c(C(F)(F)F)nn1C.Cc1nc2ccc(NCc3ccccc3)cc2n1-c1cncc(Nc2ccc(C(F)(F)F)cc2)n1.

What is the InChIKey of N-benzyl-2-methyl-3-[6-[4-(trifluoromethyl)anilino]pyrazin-2-yl]benzimidazol-5-amine;1-[3,5-dimethyl-4-[6-[4-(trifluoromethyl)anilino]pyrazin-2-yl]pyrazol-1-yl]ethanone;6-[1,5-dimethyl-3-(trifluoromethyl)pyrazol-4-yl]-N-[4-(trifluoromethyl)phenyl]pyrazin-2-amine;ethyl 4-[6-[4-(difluoromethoxy)anilino]pyrazin-2-yl]-3,5-dimethylpyrazole-1-carboxylate;ethyl 3,5-dimethyl-4-[6-[4-(trifluoromethyl)anilino]pyrazin-2-yl]pyrazole-1-carboxylate?

The InChIKey is LADFXGUTZHLIRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H21F3N6.C19H18F3N5O2.C19H19F2N5O3.C18H16F3N5O.C17H13F6N5/c1-17-32-22-12-11-21(31-14-18-5-3-2-4-6-18)13-23(22)35(17)25-16-30-15-24(34-25)33-20-9-7-19(8-10-20)26(27,28)29;1-4-29-18(28)27-12(3)17(11(2)26-27)15-9-23-10-16(25-15)24-14-7-5-13(6-8-14)19(20,21)22;1-4-28-19(27)26-12(3)17(11(2)25-26)15-9-22-10-16(24-15)23-13-5-7-14(8-6-13)29-18(20)21;1-10-17(11(2)26(25-10)12(3)27)15-8-22-9-16(24-15)23-14-6-4-13(5-7-14)18(19,20)21;1-9-14(15(17(21,22)23)27-28(9)2)12-7-24-8-13(26-12)25-11-5-3-10(4-6-11)16(18,19)20/h2-13,15-16,31H,14H2,1H3,(H,33,34);5-10H,4H2,1-3H3,(H,24,25);5-10,18H,4H2,1-3H3,(H,23,24);4-9H,1-3H3,(H,23,24);3-8H,1-2H3,(H,25,26).

What are the key properties of N-benzyl-2-methyl-3-[6-[4-(trifluoromethyl)anilino]pyrazin-2-yl]benzimidazol-5-amine;1-[3,5-dimethyl-4-[6-[4-(trifluoromethyl)anilino]pyrazin-2-yl]pyrazol-1-yl]ethanone;6-[1,5-dimethyl-3-(trifluoromethyl)pyrazol-4-yl]-N-[4-(trifluoromethyl)phenyl]pyrazin-2-amine;ethyl 4-[6-[4-(difluoromethoxy)anilino]pyrazin-2-yl]-3,5-dimethylpyrazole-1-carboxylate;ethyl 3,5-dimethyl-4-[6-[4-(trifluoromethyl)anilino]pyrazin-2-yl]pyrazole-1-carboxylate?

N-benzyl-2-methyl-3-[6-[4-(trifluoromethyl)anilino]pyrazin-2-yl]benzimidazol-5-amine;1-[3,5-dimethyl-4-[6-[4-(trifluoromethyl)anilino]pyrazin-2-yl]pyrazol-1-yl]ethanone;6-[1,5-dimethyl-3-(trifluoromethyl)pyrazol-4-yl]-N-[4-(trifluoromethyl)phenyl]pyrazin-2-amine;ethyl 4-[6-[4-(difluoromethoxy)anilino]pyrazin-2-yl]-3,5-dimethylpyrazole-1-carboxylate;ethyl 3,5-dimethyl-4-[6-[4-(trifluoromethyl)anilino]pyrazin-2-yl]pyrazole-1-carboxylate has a molecular weight of 2059.93 g/mol, XLogP of 24.88, 22 rotatable bonds, 6 hydrogen bond donors, and 32 hydrogen bond acceptors.

Where does this data come from?

All data for N-benzyl-2-methyl-3-[6-[4-(trifluoromethyl)anilino]pyrazin-2-yl]benzimidazol-5-amine;1-[3,5-dimethyl-4-[6-[4-(trifluoromethyl)anilino]pyrazin-2-yl]pyrazol-1-yl]ethanone;6-[1,5-dimethyl-3-(trifluoromethyl)pyrazol-4-yl]-N-[4-(trifluoromethyl)phenyl]pyrazin-2-amine;ethyl 4-[6-[4-(difluoromethoxy)anilino]pyrazin-2-yl]-3,5-dimethylpyrazole-1-carboxylate;ethyl 3,5-dimethyl-4-[6-[4-(trifluoromethyl)anilino]pyrazin-2-yl]pyrazole-1-carboxylate is sourced from PubChem (CID 159291145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).