N-[3-(aminomethyl)-4-(trifluoromethyl)phenyl]-6-(2-methylbenzimidazol-1-yl)pyrazin-2-amine;N-[4-(difluoromethoxy)-3-fluorophenyl]-6-(2-ethylpyrazolo[1,5-a]pyridin-3-yl)pyrazin-2-amine;6-(2-ethylpyrazolo[1,5-a]pyridin-3-yl)-N-[4-(trifluoromethoxy)phenyl]pyrazin-2-amine;2-(2-ethylpyrazolo[1,5-a]pyridin-3-yl)-6-[4-(trifluoromethyl)anilino]pyridine-4-carbonitrile;6-(2-methylbenzimidazol-1-yl)-4-oxido-N-[4-(trifluoromethyl)phenyl]pyrazin-4-ium-2-amine

C101H79F15N26O3 — CID 158340363

About N-[3-(aminomethyl)-4-(trifluoromethyl)phenyl]-6-(2-methylbenzimidazol-1-yl)pyrazin-2-amine;N-[4-(difluoromethoxy)-3-fluorophenyl]-6-(2-ethylpyrazolo[1,5-a]pyridin-3-yl)pyrazin-2-amine;6-(2-ethylpyrazolo[1,5-a]pyridin-3-yl)-N-[4-(trifluoromethoxy)phenyl]pyrazin-2-amine;2-(2-ethylpyrazolo[1,5-a]pyridin-3-yl)-6-[4-(trifluoromethyl)anilino]pyridine-4-carbonitrile;6-(2-methylbenzimidazol-1-yl)-4-oxido-N-[4-(trifluoromethyl)phenyl]pyrazin-4-ium-2-amine

N-[3-(aminomethyl)-4-(trifluoromethyl)phenyl]-6-(2-methylbenzimidazol-1-yl)pyrazin-2-amine;N-[4-(difluoromethoxy)-3-fluorophenyl]-6-(2-ethylpyrazolo[1,5-a]pyridin-3-yl)pyrazin-2-amine;6-(2-ethylpyrazolo[1,5-a]pyridin-3-yl)-N-[4-(trifluoromethoxy)phenyl]pyrazin-2-amine;2-(2-ethylpyrazolo[1,5-a]pyridin-3-yl)-6-[4-(trifluoromethyl)anilino]pyridine-4-carbonitrile;6-(2-methylbenzimidazol-1-yl)-4-oxido-N-[4-(trifluoromethyl)phenyl]pyrazin-4-ium-2-amine (PubChem CID 158340363) has the molecular formula C101H79F15N26O3 and a molecular weight of 1989.89 g/mol. Its IUPAC name is N-[3-(aminomethyl)-4-(trifluoromethyl)phenyl]-6-(2-methylbenzimidazol-1-yl)pyrazin-2-amine;N-[4-(difluoromethoxy)-3-fluorophenyl]-6-(2-ethylpyrazolo[1,5-a]pyridin-3-yl)pyrazin-2-amine;6-(2-ethylpyrazolo[1,5-a]pyridin-3-yl)-N-[4-(trifluoromethoxy)phenyl]pyrazin-2-amine;2-(2-ethylpyrazolo[1,5-a]pyridin-3-yl)-6-[4-(trifluoromethyl)anilino]pyridine-4-carbonitrile;6-(2-methylbenzimidazol-1-yl)-4-oxido-N-[4-(trifluoromethyl)phenyl]pyrazin-4-ium-2-amine.

Molecular Properties

• Compound Name: N-[3-(aminomethyl)-4-(trifluoromethyl)phenyl]-6-(2-methylbenzimidazol-1-yl)pyrazin-2-amine;N-[4-(difluoromethoxy)-3-fluorophenyl]-6-(2-ethylpyrazolo[1,5-a]pyridin-3-yl)pyrazin-2-amine;6-(2-ethylpyrazolo[1,5-a]pyridin-3-yl)-N-[4-(trifluoromethoxy)phenyl]pyrazin-2-amine;2-(2-ethylpyrazolo[1,5-a]pyridin-3-yl)-6-[4-(trifluoromethyl)anilino]pyridine-4-carbonitrile;6-(2-methylbenzimidazol-1-yl)-4-oxido-N-[4-(trifluoromethyl)phenyl]pyrazin-4-ium-2-amine
• PubChem CID: 158340363
• Molecular Formula: C101H79F15N26O3
• Molecular Weight: 1989.89 g/mol
• Exact Mass: 1988.66
• IUPAC Name: N-[3-(aminomethyl)-4-(trifluoromethyl)phenyl]-6-(2-methylbenzimidazol-1-yl)pyrazin-2-amine;N-[4-(difluoromethoxy)-3-fluorophenyl]-6-(2-ethylpyrazolo[1,5-a]pyridin-3-yl)pyrazin-2-amine;6-(2-ethylpyrazolo[1,5-a]pyridin-3-yl)-N-[4-(trifluoromethoxy)phenyl]pyrazin-2-amine;2-(2-ethylpyrazolo[1,5-a]pyridin-3-yl)-6-[4-(trifluoromethyl)anilino]pyridine-4-carbonitrile;6-(2-methylbenzimidazol-1-yl)-4-oxido-N-[4-(trifluoromethyl)phenyl]pyrazin-4-ium-2-amine
• SMILES: CCc1nn2ccccc2c1-c1cc(C#N)cc(Nc2ccc(C(F)(F)F)cc2)n1.CCc1nn2ccccc2c1-c1cncc(Nc2ccc(OC(F)(F)F)cc2)n1.CCc1nn2ccccc2c1-c1cncc(Nc2ccc(OC(F)F)c(F)c2)n1.Cc1nc2ccccc2n1-c1c[n+]([O-])cc(Nc2ccc(C(F)(F)F)cc2)n1.Cc1nc2ccccc2n1-c1cncc(Nc2ccc(C(F)(F)F)c(CN)c2)n1
• InChI: InChI=1S/C22H16F3N5.C20H17F3N6.2C20H16F3N5O.C19H14F3N5O/c1-2-17-21(19-5-3-4-10-30(19)29-17)18-11-14(13-26)12-20(28-18)27-16-8-6-15(7-9-16)22(23,24)25;1-12-26-16-4-2-3-5-17(16)29(12)19-11-25-10-18(28-19)27-14-6-7-15(20(21,22)23)13(8-14)9-24;1-2-15-19(17-5-3-4-10-28(17)27-15)16-11-24-12-18(26-16)25-13-6-8-14(9-7-13)29-20(21,22)23;1-2-14-19(16-5-3-4-8-28(16)27-14)15-10-24-11-18(26-15)25-12-6-7-17(13(21)9-12)29-20(22)23;1-12-23-15-4-2-3-5-16(15)27(12)18-11-26(28)10-17(25-18)24-14-8-6-13(7-9-14)19(20,21)22/h3-12H,2H2,1H3,(H,27,28);2-8,10-11H,9,24H2,1H3,(H,27,28);3-12H,2H2,1H3,(H,25,26);3-11,20H,2H2,1H3,(H,25,26);2-11H,1H3,(H,24,25)
• InChIKey: GRBYLYUGZMNQNU-UHFFFAOYSA-N
• XLogP: 23.90
• TPSA: 346.02 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 28
• Rotatable Bonds: 22
• Heavy Atoms: 145
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1989.89
LogP ≤ 5	23.90
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	28

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'N_oxide', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-[3-(aminomethyl)-4-(trifluoromethyl)phenyl]-6-(2-methylbenzimidazol-1-yl)pyrazin-2-amine;N-[4-(difluoromethoxy)-3-fluorophenyl]-6-(2-ethylpyrazolo[1,5-a]pyridin-3-yl)pyrazin-2-amine;6-(2-ethylpyrazolo[1,5-a]pyridin-3-yl)-N-[4-(trifluoromethoxy)phenyl]pyrazin-2-amine;2-(2-ethylpyrazolo[1,5-a]pyridin-3-yl)-6-[4-(trifluoromethyl)anilino]pyridine-4-carbonitrile;6-(2-methylbenzimidazol-1-yl)-4-oxido-N-[4-(trifluoromethyl)phenyl]pyrazin-4-ium-2-amine?

The IUPAC name of N-[3-(aminomethyl)-4-(trifluoromethyl)phenyl]-6-(2-methylbenzimidazol-1-yl)pyrazin-2-amine;N-[4-(difluoromethoxy)-3-fluorophenyl]-6-(2-ethylpyrazolo[1,5-a]pyridin-3-yl)pyrazin-2-amine;6-(2-ethylpyrazolo[1,5-a]pyridin-3-yl)-N-[4-(trifluoromethoxy)phenyl]pyrazin-2-amine;2-(2-ethylpyrazolo[1,5-a]pyridin-3-yl)-6-[4-(trifluoromethyl)anilino]pyridine-4-carbonitrile;6-(2-methylbenzimidazol-1-yl)-4-oxido-N-[4-(trifluoromethyl)phenyl]pyrazin-4-ium-2-amine (CID 158340363) is N-[3-(aminomethyl)-4-(trifluoromethyl)phenyl]-6-(2-methylbenzimidazol-1-yl)pyrazin-2-amine;N-[4-(difluoromethoxy)-3-fluorophenyl]-6-(2-ethylpyrazolo[1,5-a]pyridin-3-yl)pyrazin-2-amine;6-(2-ethylpyrazolo[1,5-a]pyridin-3-yl)-N-[4-(trifluoromethoxy)phenyl]pyrazin-2-amine;2-(2-ethylpyrazolo[1,5-a]pyridin-3-yl)-6-[4-(trifluoromethyl)anilino]pyridine-4-carbonitrile;6-(2-methylbenzimidazol-1-yl)-4-oxido-N-[4-(trifluoromethyl)phenyl]pyrazin-4-ium-2-amine.

What is the SMILES notation for N-[3-(aminomethyl)-4-(trifluoromethyl)phenyl]-6-(2-methylbenzimidazol-1-yl)pyrazin-2-amine;N-[4-(difluoromethoxy)-3-fluorophenyl]-6-(2-ethylpyrazolo[1,5-a]pyridin-3-yl)pyrazin-2-amine;6-(2-ethylpyrazolo[1,5-a]pyridin-3-yl)-N-[4-(trifluoromethoxy)phenyl]pyrazin-2-amine;2-(2-ethylpyrazolo[1,5-a]pyridin-3-yl)-6-[4-(trifluoromethyl)anilino]pyridine-4-carbonitrile;6-(2-methylbenzimidazol-1-yl)-4-oxido-N-[4-(trifluoromethyl)phenyl]pyrazin-4-ium-2-amine?

The canonical SMILES for N-[3-(aminomethyl)-4-(trifluoromethyl)phenyl]-6-(2-methylbenzimidazol-1-yl)pyrazin-2-amine;N-[4-(difluoromethoxy)-3-fluorophenyl]-6-(2-ethylpyrazolo[1,5-a]pyridin-3-yl)pyrazin-2-amine;6-(2-ethylpyrazolo[1,5-a]pyridin-3-yl)-N-[4-(trifluoromethoxy)phenyl]pyrazin-2-amine;2-(2-ethylpyrazolo[1,5-a]pyridin-3-yl)-6-[4-(trifluoromethyl)anilino]pyridine-4-carbonitrile;6-(2-methylbenzimidazol-1-yl)-4-oxido-N-[4-(trifluoromethyl)phenyl]pyrazin-4-ium-2-amine is CCc1nn2ccccc2c1-c1cc(C#N)cc(Nc2ccc(C(F)(F)F)cc2)n1.CCc1nn2ccccc2c1-c1cncc(Nc2ccc(OC(F)(F)F)cc2)n1.CCc1nn2ccccc2c1-c1cncc(Nc2ccc(OC(F)F)c(F)c2)n1.Cc1nc2ccccc2n1-c1c[n+]([O-])cc(Nc2ccc(C(F)(F)F)cc2)n1.Cc1nc2ccccc2n1-c1cncc(Nc2ccc(C(F)(F)F)c(CN)c2)n1.

What is the InChIKey of N-[3-(aminomethyl)-4-(trifluoromethyl)phenyl]-6-(2-methylbenzimidazol-1-yl)pyrazin-2-amine;N-[4-(difluoromethoxy)-3-fluorophenyl]-6-(2-ethylpyrazolo[1,5-a]pyridin-3-yl)pyrazin-2-amine;6-(2-ethylpyrazolo[1,5-a]pyridin-3-yl)-N-[4-(trifluoromethoxy)phenyl]pyrazin-2-amine;2-(2-ethylpyrazolo[1,5-a]pyridin-3-yl)-6-[4-(trifluoromethyl)anilino]pyridine-4-carbonitrile;6-(2-methylbenzimidazol-1-yl)-4-oxido-N-[4-(trifluoromethyl)phenyl]pyrazin-4-ium-2-amine?

The InChIKey is GRBYLYUGZMNQNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16F3N5.C20H17F3N6.2C20H16F3N5O.C19H14F3N5O/c1-2-17-21(19-5-3-4-10-30(19)29-17)18-11-14(13-26)12-20(28-18)27-16-8-6-15(7-9-16)22(23,24)25;1-12-26-16-4-2-3-5-17(16)29(12)19-11-25-10-18(28-19)27-14-6-7-15(20(21,22)23)13(8-14)9-24;1-2-15-19(17-5-3-4-10-28(17)27-15)16-11-24-12-18(26-16)25-13-6-8-14(9-7-13)29-20(21,22)23;1-2-14-19(16-5-3-4-8-28(16)27-14)15-10-24-11-18(26-15)25-12-6-7-17(13(21)9-12)29-20(22)23;1-12-23-15-4-2-3-5-16(15)27(12)18-11-26(28)10-17(25-18)24-14-8-6-13(7-9-14)19(20,21)22/h3-12H,2H2,1H3,(H,27,28);2-8,10-11H,9,24H2,1H3,(H,27,28);3-12H,2H2,1H3,(H,25,26);3-11,20H,2H2,1H3,(H,25,26);2-11H,1H3,(H,24,25).

What are the key properties of N-[3-(aminomethyl)-4-(trifluoromethyl)phenyl]-6-(2-methylbenzimidazol-1-yl)pyrazin-2-amine;N-[4-(difluoromethoxy)-3-fluorophenyl]-6-(2-ethylpyrazolo[1,5-a]pyridin-3-yl)pyrazin-2-amine;6-(2-ethylpyrazolo[1,5-a]pyridin-3-yl)-N-[4-(trifluoromethoxy)phenyl]pyrazin-2-amine;2-(2-ethylpyrazolo[1,5-a]pyridin-3-yl)-6-[4-(trifluoromethyl)anilino]pyridine-4-carbonitrile;6-(2-methylbenzimidazol-1-yl)-4-oxido-N-[4-(trifluoromethyl)phenyl]pyrazin-4-ium-2-amine?

N-[3-(aminomethyl)-4-(trifluoromethyl)phenyl]-6-(2-methylbenzimidazol-1-yl)pyrazin-2-amine;N-[4-(difluoromethoxy)-3-fluorophenyl]-6-(2-ethylpyrazolo[1,5-a]pyridin-3-yl)pyrazin-2-amine;6-(2-ethylpyrazolo[1,5-a]pyridin-3-yl)-N-[4-(trifluoromethoxy)phenyl]pyrazin-2-amine;2-(2-ethylpyrazolo[1,5-a]pyridin-3-yl)-6-[4-(trifluoromethyl)anilino]pyridine-4-carbonitrile;6-(2-methylbenzimidazol-1-yl)-4-oxido-N-[4-(trifluoromethyl)phenyl]pyrazin-4-ium-2-amine has a molecular weight of 1989.89 g/mol, XLogP of 23.90, 22 rotatable bonds, 6 hydrogen bond donors, and 28 hydrogen bond acceptors.

Where does this data come from?

All data for N-[3-(aminomethyl)-4-(trifluoromethyl)phenyl]-6-(2-methylbenzimidazol-1-yl)pyrazin-2-amine;N-[4-(difluoromethoxy)-3-fluorophenyl]-6-(2-ethylpyrazolo[1,5-a]pyridin-3-yl)pyrazin-2-amine;6-(2-ethylpyrazolo[1,5-a]pyridin-3-yl)-N-[4-(trifluoromethoxy)phenyl]pyrazin-2-amine;2-(2-ethylpyrazolo[1,5-a]pyridin-3-yl)-6-[4-(trifluoromethyl)anilino]pyridine-4-carbonitrile;6-(2-methylbenzimidazol-1-yl)-4-oxido-N-[4-(trifluoromethyl)phenyl]pyrazin-4-ium-2-amine is sourced from PubChem (CID 158340363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).