2-[4-(1-aminoethyl)anilino]-6-[2-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyridine-4-carbonitrile;N-[4-(1-aminoethyl)phenyl]-6-(2-methylbenzimidazol-1-yl)pyrazin-2-amine;N-[4-(difluoromethoxy)phenyl]-6-(2-ethyl-6-fluorobenzimidazol-1-yl)pyrazin-2-amine;N-[4-(difluoromethoxy)phenyl]-6-(2-methyl-4,5,6,7-tetrahydrobenzimidazol-1-yl)pyrazin-2-amine;6-(2-ethyl-6-fluorobenzimidazol-1-yl)-N-[4-(trifluoromethyl)phenyl]pyrazin-2-amine

C101H87F12N27O2 — CID 159363321

About 2-[4-(1-aminoethyl)anilino]-6-[2-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyridine-4-carbonitrile;N-[4-(1-aminoethyl)phenyl]-6-(2-methylbenzimidazol-1-yl)pyrazin-2-amine;N-[4-(difluoromethoxy)phenyl]-6-(2-ethyl-6-fluorobenzimidazol-1-yl)pyrazin-2-amine;N-[4-(difluoromethoxy)phenyl]-6-(2-methyl-4,5,6,7-tetrahydrobenzimidazol-1-yl)pyrazin-2-amine;6-(2-ethyl-6-fluorobenzimidazol-1-yl)-N-[4-(trifluoromethyl)phenyl]pyrazin-2-amine

2-[4-(1-aminoethyl)anilino]-6-[2-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyridine-4-carbonitrile;N-[4-(1-aminoethyl)phenyl]-6-(2-methylbenzimidazol-1-yl)pyrazin-2-amine;N-[4-(difluoromethoxy)phenyl]-6-(2-ethyl-6-fluorobenzimidazol-1-yl)pyrazin-2-amine;N-[4-(difluoromethoxy)phenyl]-6-(2-methyl-4,5,6,7-tetrahydrobenzimidazol-1-yl)pyrazin-2-amine;6-(2-ethyl-6-fluorobenzimidazol-1-yl)-N-[4-(trifluoromethyl)phenyl]pyrazin-2-amine (PubChem CID 159363321) has the molecular formula C101H87F12N27O2 and a molecular weight of 1938.97 g/mol. Its IUPAC name is 2-[4-(1-aminoethyl)anilino]-6-[2-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyridine-4-carbonitrile;N-[4-(1-aminoethyl)phenyl]-6-(2-methylbenzimidazol-1-yl)pyrazin-2-amine;N-[4-(difluoromethoxy)phenyl]-6-(2-ethyl-6-fluorobenzimidazol-1-yl)pyrazin-2-amine;N-[4-(difluoromethoxy)phenyl]-6-(2-methyl-4,5,6,7-tetrahydrobenzimidazol-1-yl)pyrazin-2-amine;6-(2-ethyl-6-fluorobenzimidazol-1-yl)-N-[4-(trifluoromethyl)phenyl]pyrazin-2-amine.

Molecular Properties

• Compound Name: 2-[4-(1-aminoethyl)anilino]-6-[2-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyridine-4-carbonitrile;N-[4-(1-aminoethyl)phenyl]-6-(2-methylbenzimidazol-1-yl)pyrazin-2-amine;N-[4-(difluoromethoxy)phenyl]-6-(2-ethyl-6-fluorobenzimidazol-1-yl)pyrazin-2-amine;N-[4-(difluoromethoxy)phenyl]-6-(2-methyl-4,5,6,7-tetrahydrobenzimidazol-1-yl)pyrazin-2-amine;6-(2-ethyl-6-fluorobenzimidazol-1-yl)-N-[4-(trifluoromethyl)phenyl]pyrazin-2-amine
• PubChem CID: 159363321
• Molecular Formula: C101H87F12N27O2
• Molecular Weight: 1938.97 g/mol
• Exact Mass: 1937.73
• IUPAC Name: 2-[4-(1-aminoethyl)anilino]-6-[2-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyridine-4-carbonitrile;N-[4-(1-aminoethyl)phenyl]-6-(2-methylbenzimidazol-1-yl)pyrazin-2-amine;N-[4-(difluoromethoxy)phenyl]-6-(2-ethyl-6-fluorobenzimidazol-1-yl)pyrazin-2-amine;N-[4-(difluoromethoxy)phenyl]-6-(2-methyl-4,5,6,7-tetrahydrobenzimidazol-1-yl)pyrazin-2-amine;6-(2-ethyl-6-fluorobenzimidazol-1-yl)-N-[4-(trifluoromethyl)phenyl]pyrazin-2-amine
• SMILES: CC(N)c1ccc(Nc2cc(C#N)cc(-c3c(C(F)(F)F)nc4ccccn34)n2)cc1.CCc1nc2ccc(F)cc2n1-c1cncc(Nc2ccc(C(F)(F)F)cc2)n1.CCc1nc2ccc(F)cc2n1-c1cncc(Nc2ccc(OC(F)F)cc2)n1.Cc1nc2c(n1-c1cncc(Nc3ccc(OC(F)F)cc3)n1)CCCC2.Cc1nc2ccccc2n1-c1cncc(Nc2ccc(C(C)N)cc2)n1
• InChI: InChI=1S/C22H17F3N6.C20H15F4N5.C20H16F3N5O.C20H20N6.C19H19F2N5O/c1-13(27)15-5-7-16(8-6-15)28-18-11-14(12-26)10-17(29-18)20-21(22(23,24)25)30-19-4-2-3-9-31(19)20;1-2-18-27-15-8-5-13(21)9-16(15)29(18)19-11-25-10-17(28-19)26-14-6-3-12(4-7-14)20(22,23)24;1-2-18-26-15-8-3-12(21)9-16(15)28(18)19-11-24-10-17(27-19)25-13-4-6-14(7-5-13)29-20(22)23;1-13(21)15-7-9-16(10-8-15)24-19-11-22-12-20(25-19)26-14(2)23-17-5-3-4-6-18(17)26;1-12-23-15-4-2-3-5-16(15)26(12)18-11-22-10-17(25-18)24-13-6-8-14(9-7-13)27-19(20)21/h2-11,13H,27H2,1H3,(H,28,29);3-11H,2H2,1H3,(H,26,28);3-11,20H,2H2,1H3,(H,25,27);3-13H,21H2,1-2H3,(H,24,25);6-11,19H,2-5H2,1H3,(H,24,25)
• InChIKey: LIUQGFGVEFZXHM-UHFFFAOYSA-N
• XLogP: 23.27
• TPSA: 359.03 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 29
• Rotatable Bonds: 23
• Heavy Atoms: 142
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1938.97
LogP ≤ 5	23.27
H-Bond Donors ≤ 5	7
H-Bond Acceptors ≤ 10	29

Frequently Asked Questions

What is the IUPAC name of 2-[4-(1-aminoethyl)anilino]-6-[2-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyridine-4-carbonitrile;N-[4-(1-aminoethyl)phenyl]-6-(2-methylbenzimidazol-1-yl)pyrazin-2-amine;N-[4-(difluoromethoxy)phenyl]-6-(2-ethyl-6-fluorobenzimidazol-1-yl)pyrazin-2-amine;N-[4-(difluoromethoxy)phenyl]-6-(2-methyl-4,5,6,7-tetrahydrobenzimidazol-1-yl)pyrazin-2-amine;6-(2-ethyl-6-fluorobenzimidazol-1-yl)-N-[4-(trifluoromethyl)phenyl]pyrazin-2-amine?

The IUPAC name of 2-[4-(1-aminoethyl)anilino]-6-[2-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyridine-4-carbonitrile;N-[4-(1-aminoethyl)phenyl]-6-(2-methylbenzimidazol-1-yl)pyrazin-2-amine;N-[4-(difluoromethoxy)phenyl]-6-(2-ethyl-6-fluorobenzimidazol-1-yl)pyrazin-2-amine;N-[4-(difluoromethoxy)phenyl]-6-(2-methyl-4,5,6,7-tetrahydrobenzimidazol-1-yl)pyrazin-2-amine;6-(2-ethyl-6-fluorobenzimidazol-1-yl)-N-[4-(trifluoromethyl)phenyl]pyrazin-2-amine (CID 159363321) is 2-[4-(1-aminoethyl)anilino]-6-[2-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyridine-4-carbonitrile;N-[4-(1-aminoethyl)phenyl]-6-(2-methylbenzimidazol-1-yl)pyrazin-2-amine;N-[4-(difluoromethoxy)phenyl]-6-(2-ethyl-6-fluorobenzimidazol-1-yl)pyrazin-2-amine;N-[4-(difluoromethoxy)phenyl]-6-(2-methyl-4,5,6,7-tetrahydrobenzimidazol-1-yl)pyrazin-2-amine;6-(2-ethyl-6-fluorobenzimidazol-1-yl)-N-[4-(trifluoromethyl)phenyl]pyrazin-2-amine.

What is the SMILES notation for 2-[4-(1-aminoethyl)anilino]-6-[2-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyridine-4-carbonitrile;N-[4-(1-aminoethyl)phenyl]-6-(2-methylbenzimidazol-1-yl)pyrazin-2-amine;N-[4-(difluoromethoxy)phenyl]-6-(2-ethyl-6-fluorobenzimidazol-1-yl)pyrazin-2-amine;N-[4-(difluoromethoxy)phenyl]-6-(2-methyl-4,5,6,7-tetrahydrobenzimidazol-1-yl)pyrazin-2-amine;6-(2-ethyl-6-fluorobenzimidazol-1-yl)-N-[4-(trifluoromethyl)phenyl]pyrazin-2-amine?

The canonical SMILES for 2-[4-(1-aminoethyl)anilino]-6-[2-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyridine-4-carbonitrile;N-[4-(1-aminoethyl)phenyl]-6-(2-methylbenzimidazol-1-yl)pyrazin-2-amine;N-[4-(difluoromethoxy)phenyl]-6-(2-ethyl-6-fluorobenzimidazol-1-yl)pyrazin-2-amine;N-[4-(difluoromethoxy)phenyl]-6-(2-methyl-4,5,6,7-tetrahydrobenzimidazol-1-yl)pyrazin-2-amine;6-(2-ethyl-6-fluorobenzimidazol-1-yl)-N-[4-(trifluoromethyl)phenyl]pyrazin-2-amine is CC(N)c1ccc(Nc2cc(C#N)cc(-c3c(C(F)(F)F)nc4ccccn34)n2)cc1.CCc1nc2ccc(F)cc2n1-c1cncc(Nc2ccc(C(F)(F)F)cc2)n1.CCc1nc2ccc(F)cc2n1-c1cncc(Nc2ccc(OC(F)F)cc2)n1.Cc1nc2c(n1-c1cncc(Nc3ccc(OC(F)F)cc3)n1)CCCC2.Cc1nc2ccccc2n1-c1cncc(Nc2ccc(C(C)N)cc2)n1.

What is the InChIKey of 2-[4-(1-aminoethyl)anilino]-6-[2-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyridine-4-carbonitrile;N-[4-(1-aminoethyl)phenyl]-6-(2-methylbenzimidazol-1-yl)pyrazin-2-amine;N-[4-(difluoromethoxy)phenyl]-6-(2-ethyl-6-fluorobenzimidazol-1-yl)pyrazin-2-amine;N-[4-(difluoromethoxy)phenyl]-6-(2-methyl-4,5,6,7-tetrahydrobenzimidazol-1-yl)pyrazin-2-amine;6-(2-ethyl-6-fluorobenzimidazol-1-yl)-N-[4-(trifluoromethyl)phenyl]pyrazin-2-amine?

The InChIKey is LIUQGFGVEFZXHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17F3N6.C20H15F4N5.C20H16F3N5O.C20H20N6.C19H19F2N5O/c1-13(27)15-5-7-16(8-6-15)28-18-11-14(12-26)10-17(29-18)20-21(22(23,24)25)30-19-4-2-3-9-31(19)20;1-2-18-27-15-8-5-13(21)9-16(15)29(18)19-11-25-10-17(28-19)26-14-6-3-12(4-7-14)20(22,23)24;1-2-18-26-15-8-3-12(21)9-16(15)28(18)19-11-24-10-17(27-19)25-13-4-6-14(7-5-13)29-20(22)23;1-13(21)15-7-9-16(10-8-15)24-19-11-22-12-20(25-19)26-14(2)23-17-5-3-4-6-18(17)26;1-12-23-15-4-2-3-5-16(15)26(12)18-11-22-10-17(25-18)24-13-6-8-14(9-7-13)27-19(20)21/h2-11,13H,27H2,1H3,(H,28,29);3-11H,2H2,1H3,(H,26,28);3-11,20H,2H2,1H3,(H,25,27);3-13H,21H2,1-2H3,(H,24,25);6-11,19H,2-5H2,1H3,(H,24,25).

What are the key properties of 2-[4-(1-aminoethyl)anilino]-6-[2-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyridine-4-carbonitrile;N-[4-(1-aminoethyl)phenyl]-6-(2-methylbenzimidazol-1-yl)pyrazin-2-amine;N-[4-(difluoromethoxy)phenyl]-6-(2-ethyl-6-fluorobenzimidazol-1-yl)pyrazin-2-amine;N-[4-(difluoromethoxy)phenyl]-6-(2-methyl-4,5,6,7-tetrahydrobenzimidazol-1-yl)pyrazin-2-amine;6-(2-ethyl-6-fluorobenzimidazol-1-yl)-N-[4-(trifluoromethyl)phenyl]pyrazin-2-amine?

2-[4-(1-aminoethyl)anilino]-6-[2-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyridine-4-carbonitrile;N-[4-(1-aminoethyl)phenyl]-6-(2-methylbenzimidazol-1-yl)pyrazin-2-amine;N-[4-(difluoromethoxy)phenyl]-6-(2-ethyl-6-fluorobenzimidazol-1-yl)pyrazin-2-amine;N-[4-(difluoromethoxy)phenyl]-6-(2-methyl-4,5,6,7-tetrahydrobenzimidazol-1-yl)pyrazin-2-amine;6-(2-ethyl-6-fluorobenzimidazol-1-yl)-N-[4-(trifluoromethyl)phenyl]pyrazin-2-amine has a molecular weight of 1938.97 g/mol, XLogP of 23.27, 23 rotatable bonds, 7 hydrogen bond donors, and 29 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[4-(1-aminoethyl)anilino]-6-[2-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyridine-4-carbonitrile;N-[4-(1-aminoethyl)phenyl]-6-(2-methylbenzimidazol-1-yl)pyrazin-2-amine;N-[4-(difluoromethoxy)phenyl]-6-(2-ethyl-6-fluorobenzimidazol-1-yl)pyrazin-2-amine;N-[4-(difluoromethoxy)phenyl]-6-(2-methyl-4,5,6,7-tetrahydrobenzimidazol-1-yl)pyrazin-2-amine;6-(2-ethyl-6-fluorobenzimidazol-1-yl)-N-[4-(trifluoromethyl)phenyl]pyrazin-2-amine is sourced from PubChem (CID 159363321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).