N-[4-(difluoromethoxy)-3-fluorophenyl]-6-[2-(difluoromethyl)benzimidazol-1-yl]pyrazin-2-amine;N-[4-(difluoromethoxy)phenyl]-6-[2-(difluoromethyl)benzimidazol-1-yl]pyrazin-2-amine;N-[6-(difluoromethoxy)-3-pyridinyl]-6-[2-(difluoromethyl)-6-fluoro-[1,2,4]triazolo[1,5-a]pyridin-4-ium-3-yl]pyrazin-2-amine;N-[6-(difluoromethoxy)-3-pyridinyl]-6-(6-fluoro-2-methyl-[1,2,4]triazolo[1,5-a]pyridin-4-ium-3-yl)pyrazin-2-amine;6-[2-(difluoromethyl)benzimidazol-1-yl]-N-[4-(trifluoromethyl)phenyl]pyrazin-2-amine

C91H61F22N29O4+2 — CID 160764097

About N-[4-(difluoromethoxy)-3-fluorophenyl]-6-[2-(difluoromethyl)benzimidazol-1-yl]pyrazin-2-amine;N-[4-(difluoromethoxy)phenyl]-6-[2-(difluoromethyl)benzimidazol-1-yl]pyrazin-2-amine;N-[6-(difluoromethoxy)-3-pyridinyl]-6-[2-(difluoromethyl)-6-fluoro-[1,2,4]triazolo[1,5-a]pyridin-4-ium-3-yl]pyrazin-2-amine;N-[6-(difluoromethoxy)-3-pyridinyl]-6-(6-fluoro-2-methyl-[1,2,4]triazolo[1,5-a]pyridin-4-ium-3-yl)pyrazin-2-amine;6-[2-(difluoromethyl)benzimidazol-1-yl]-N-[4-(trifluoromethyl)phenyl]pyrazin-2-amine

N-[4-(difluoromethoxy)-3-fluorophenyl]-6-[2-(difluoromethyl)benzimidazol-1-yl]pyrazin-2-amine;N-[4-(difluoromethoxy)phenyl]-6-[2-(difluoromethyl)benzimidazol-1-yl]pyrazin-2-amine;N-[6-(difluoromethoxy)-3-pyridinyl]-6-[2-(difluoromethyl)-6-fluoro-[1,2,4]triazolo[1,5-a]pyridin-4-ium-3-yl]pyrazin-2-amine;N-[6-(difluoromethoxy)-3-pyridinyl]-6-(6-fluoro-2-methyl-[1,2,4]triazolo[1,5-a]pyridin-4-ium-3-yl)pyrazin-2-amine;6-[2-(difluoromethyl)benzimidazol-1-yl]-N-[4-(trifluoromethyl)phenyl]pyrazin-2-amine (PubChem CID 160764097) has the molecular formula C91H61F22N29O4+2 and a molecular weight of 2042.64 g/mol. Its IUPAC name is N-[4-(difluoromethoxy)-3-fluorophenyl]-6-[2-(difluoromethyl)benzimidazol-1-yl]pyrazin-2-amine;N-[4-(difluoromethoxy)phenyl]-6-[2-(difluoromethyl)benzimidazol-1-yl]pyrazin-2-amine;N-[6-(difluoromethoxy)-3-pyridinyl]-6-[2-(difluoromethyl)-6-fluoro-[1,2,4]triazolo[1,5-a]pyridin-4-ium-3-yl]pyrazin-2-amine;N-[6-(difluoromethoxy)-3-pyridinyl]-6-(6-fluoro-2-methyl-[1,2,4]triazolo[1,5-a]pyridin-4-ium-3-yl)pyrazin-2-amine;6-[2-(difluoromethyl)benzimidazol-1-yl]-N-[4-(trifluoromethyl)phenyl]pyrazin-2-amine.

Molecular Properties

• Compound Name: N-[4-(difluoromethoxy)-3-fluorophenyl]-6-[2-(difluoromethyl)benzimidazol-1-yl]pyrazin-2-amine;N-[4-(difluoromethoxy)phenyl]-6-[2-(difluoromethyl)benzimidazol-1-yl]pyrazin-2-amine;N-[6-(difluoromethoxy)-3-pyridinyl]-6-[2-(difluoromethyl)-6-fluoro-[1,2,4]triazolo[1,5-a]pyridin-4-ium-3-yl]pyrazin-2-amine;N-[6-(difluoromethoxy)-3-pyridinyl]-6-(6-fluoro-2-methyl-[1,2,4]triazolo[1,5-a]pyridin-4-ium-3-yl)pyrazin-2-amine;6-[2-(difluoromethyl)benzimidazol-1-yl]-N-[4-(trifluoromethyl)phenyl]pyrazin-2-amine
• PubChem CID: 160764097
• Molecular Formula: C91H61F22N29O4+2
• Molecular Weight: 2042.64 g/mol
• Exact Mass: 2041.51
• IUPAC Name: N-[4-(difluoromethoxy)-3-fluorophenyl]-6-[2-(difluoromethyl)benzimidazol-1-yl]pyrazin-2-amine;N-[4-(difluoromethoxy)phenyl]-6-[2-(difluoromethyl)benzimidazol-1-yl]pyrazin-2-amine;N-[6-(difluoromethoxy)-3-pyridinyl]-6-[2-(difluoromethyl)-6-fluoro-[1,2,4]triazolo[1,5-a]pyridin-4-ium-3-yl]pyrazin-2-amine;N-[6-(difluoromethoxy)-3-pyridinyl]-6-(6-fluoro-2-methyl-[1,2,4]triazolo[1,5-a]pyridin-4-ium-3-yl)pyrazin-2-amine;6-[2-(difluoromethyl)benzimidazol-1-yl]-N-[4-(trifluoromethyl)phenyl]pyrazin-2-amine
• SMILES: Cc1nc2ccc(F)c[n+]2n1-c1cncc(Nc2ccc(OC(F)F)nc2)n1.FC(F)Oc1ccc(Nc2cncc(-n3c(C(F)F)nc4ccccc43)n2)cc1.FC(F)c1nc2ccccc2n1-c1cncc(Nc2ccc(C(F)(F)F)cc2)n1.Fc1cc(Nc2cncc(-n3c(C(F)F)nc4ccccc43)n2)ccc1OC(F)F.Fc1ccc2nc(C(F)F)n(-c3cncc(Nc4ccc(OC(F)F)nc4)n3)[n+]2c1
• InChI: InChI=1S/C19H12F5N5O.C19H12F5N5.C19H13F4N5O.C17H11F5N7O.C17H13F3N7O/c20-11-7-10(5-6-14(11)30-19(23)24)26-15-8-25-9-16(28-15)29-13-4-2-1-3-12(13)27-18(29)17(21)22;20-17(21)18-27-13-3-1-2-4-14(13)29(18)16-10-25-9-15(28-16)26-12-7-5-11(6-8-12)19(22,23)24;20-17(21)18-26-13-3-1-2-4-14(13)28(18)16-10-24-9-15(27-16)25-11-5-7-12(8-6-11)29-19(22)23;18-9-1-3-12-27-16(15(19)20)29(28(12)8-9)13-7-23-6-11(26-13)25-10-2-4-14(24-5-10)30-17(21)22;1-10-23-14-4-2-11(18)9-26(14)27(10)15-8-21-7-13(25-15)24-12-3-5-16(22-6-12)28-17(19)20/h1-9,17,19H,(H,26,28);1-10,17H,(H,26,28);1-10,17,19H,(H,25,27);1-8,15,17H,(H,25,26);2-9,17H,1H3,(H,24,25)/q;;;2*+1
• InChIKey: PJSHXGKQNXZGMM-UHFFFAOYSA-N
• XLogP: 21.66
• TPSA: 349.05 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 31
• Rotatable Bonds: 27
• Heavy Atoms: 146
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2042.64
LogP ≤ 5	21.66
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	31

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-[4-(difluoromethoxy)-3-fluorophenyl]-6-[2-(difluoromethyl)benzimidazol-1-yl]pyrazin-2-amine;N-[4-(difluoromethoxy)phenyl]-6-[2-(difluoromethyl)benzimidazol-1-yl]pyrazin-2-amine;N-[6-(difluoromethoxy)-3-pyridinyl]-6-[2-(difluoromethyl)-6-fluoro-[1,2,4]triazolo[1,5-a]pyridin-4-ium-3-yl]pyrazin-2-amine;N-[6-(difluoromethoxy)-3-pyridinyl]-6-(6-fluoro-2-methyl-[1,2,4]triazolo[1,5-a]pyridin-4-ium-3-yl)pyrazin-2-amine;6-[2-(difluoromethyl)benzimidazol-1-yl]-N-[4-(trifluoromethyl)phenyl]pyrazin-2-amine?

The IUPAC name of N-[4-(difluoromethoxy)-3-fluorophenyl]-6-[2-(difluoromethyl)benzimidazol-1-yl]pyrazin-2-amine;N-[4-(difluoromethoxy)phenyl]-6-[2-(difluoromethyl)benzimidazol-1-yl]pyrazin-2-amine;N-[6-(difluoromethoxy)-3-pyridinyl]-6-[2-(difluoromethyl)-6-fluoro-[1,2,4]triazolo[1,5-a]pyridin-4-ium-3-yl]pyrazin-2-amine;N-[6-(difluoromethoxy)-3-pyridinyl]-6-(6-fluoro-2-methyl-[1,2,4]triazolo[1,5-a]pyridin-4-ium-3-yl)pyrazin-2-amine;6-[2-(difluoromethyl)benzimidazol-1-yl]-N-[4-(trifluoromethyl)phenyl]pyrazin-2-amine (CID 160764097) is N-[4-(difluoromethoxy)-3-fluorophenyl]-6-[2-(difluoromethyl)benzimidazol-1-yl]pyrazin-2-amine;N-[4-(difluoromethoxy)phenyl]-6-[2-(difluoromethyl)benzimidazol-1-yl]pyrazin-2-amine;N-[6-(difluoromethoxy)-3-pyridinyl]-6-[2-(difluoromethyl)-6-fluoro-[1,2,4]triazolo[1,5-a]pyridin-4-ium-3-yl]pyrazin-2-amine;N-[6-(difluoromethoxy)-3-pyridinyl]-6-(6-fluoro-2-methyl-[1,2,4]triazolo[1,5-a]pyridin-4-ium-3-yl)pyrazin-2-amine;6-[2-(difluoromethyl)benzimidazol-1-yl]-N-[4-(trifluoromethyl)phenyl]pyrazin-2-amine.

What is the SMILES notation for N-[4-(difluoromethoxy)-3-fluorophenyl]-6-[2-(difluoromethyl)benzimidazol-1-yl]pyrazin-2-amine;N-[4-(difluoromethoxy)phenyl]-6-[2-(difluoromethyl)benzimidazol-1-yl]pyrazin-2-amine;N-[6-(difluoromethoxy)-3-pyridinyl]-6-[2-(difluoromethyl)-6-fluoro-[1,2,4]triazolo[1,5-a]pyridin-4-ium-3-yl]pyrazin-2-amine;N-[6-(difluoromethoxy)-3-pyridinyl]-6-(6-fluoro-2-methyl-[1,2,4]triazolo[1,5-a]pyridin-4-ium-3-yl)pyrazin-2-amine;6-[2-(difluoromethyl)benzimidazol-1-yl]-N-[4-(trifluoromethyl)phenyl]pyrazin-2-amine?

The canonical SMILES for N-[4-(difluoromethoxy)-3-fluorophenyl]-6-[2-(difluoromethyl)benzimidazol-1-yl]pyrazin-2-amine;N-[4-(difluoromethoxy)phenyl]-6-[2-(difluoromethyl)benzimidazol-1-yl]pyrazin-2-amine;N-[6-(difluoromethoxy)-3-pyridinyl]-6-[2-(difluoromethyl)-6-fluoro-[1,2,4]triazolo[1,5-a]pyridin-4-ium-3-yl]pyrazin-2-amine;N-[6-(difluoromethoxy)-3-pyridinyl]-6-(6-fluoro-2-methyl-[1,2,4]triazolo[1,5-a]pyridin-4-ium-3-yl)pyrazin-2-amine;6-[2-(difluoromethyl)benzimidazol-1-yl]-N-[4-(trifluoromethyl)phenyl]pyrazin-2-amine is Cc1nc2ccc(F)c[n+]2n1-c1cncc(Nc2ccc(OC(F)F)nc2)n1.FC(F)Oc1ccc(Nc2cncc(-n3c(C(F)F)nc4ccccc43)n2)cc1.FC(F)c1nc2ccccc2n1-c1cncc(Nc2ccc(C(F)(F)F)cc2)n1.Fc1cc(Nc2cncc(-n3c(C(F)F)nc4ccccc43)n2)ccc1OC(F)F.Fc1ccc2nc(C(F)F)n(-c3cncc(Nc4ccc(OC(F)F)nc4)n3)[n+]2c1.

What is the InChIKey of N-[4-(difluoromethoxy)-3-fluorophenyl]-6-[2-(difluoromethyl)benzimidazol-1-yl]pyrazin-2-amine;N-[4-(difluoromethoxy)phenyl]-6-[2-(difluoromethyl)benzimidazol-1-yl]pyrazin-2-amine;N-[6-(difluoromethoxy)-3-pyridinyl]-6-[2-(difluoromethyl)-6-fluoro-[1,2,4]triazolo[1,5-a]pyridin-4-ium-3-yl]pyrazin-2-amine;N-[6-(difluoromethoxy)-3-pyridinyl]-6-(6-fluoro-2-methyl-[1,2,4]triazolo[1,5-a]pyridin-4-ium-3-yl)pyrazin-2-amine;6-[2-(difluoromethyl)benzimidazol-1-yl]-N-[4-(trifluoromethyl)phenyl]pyrazin-2-amine?

The InChIKey is PJSHXGKQNXZGMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H12F5N5O.C19H12F5N5.C19H13F4N5O.C17H11F5N7O.C17H13F3N7O/c20-11-7-10(5-6-14(11)30-19(23)24)26-15-8-25-9-16(28-15)29-13-4-2-1-3-12(13)27-18(29)17(21)22;20-17(21)18-27-13-3-1-2-4-14(13)29(18)16-10-25-9-15(28-16)26-12-7-5-11(6-8-12)19(22,23)24;20-17(21)18-26-13-3-1-2-4-14(13)28(18)16-10-24-9-15(27-16)25-11-5-7-12(8-6-11)29-19(22)23;18-9-1-3-12-27-16(15(19)20)29(28(12)8-9)13-7-23-6-11(26-13)25-10-2-4-14(24-5-10)30-17(21)22;1-10-23-14-4-2-11(18)9-26(14)27(10)15-8-21-7-13(25-15)24-12-3-5-16(22-6-12)28-17(19)20/h1-9,17,19H,(H,26,28);1-10,17H,(H,26,28);1-10,17,19H,(H,25,27);1-8,15,17H,(H,25,26);2-9,17H,1H3,(H,24,25)/q;;;2*+1.

What are the key properties of N-[4-(difluoromethoxy)-3-fluorophenyl]-6-[2-(difluoromethyl)benzimidazol-1-yl]pyrazin-2-amine;N-[4-(difluoromethoxy)phenyl]-6-[2-(difluoromethyl)benzimidazol-1-yl]pyrazin-2-amine;N-[6-(difluoromethoxy)-3-pyridinyl]-6-[2-(difluoromethyl)-6-fluoro-[1,2,4]triazolo[1,5-a]pyridin-4-ium-3-yl]pyrazin-2-amine;N-[6-(difluoromethoxy)-3-pyridinyl]-6-(6-fluoro-2-methyl-[1,2,4]triazolo[1,5-a]pyridin-4-ium-3-yl)pyrazin-2-amine;6-[2-(difluoromethyl)benzimidazol-1-yl]-N-[4-(trifluoromethyl)phenyl]pyrazin-2-amine?

N-[4-(difluoromethoxy)-3-fluorophenyl]-6-[2-(difluoromethyl)benzimidazol-1-yl]pyrazin-2-amine;N-[4-(difluoromethoxy)phenyl]-6-[2-(difluoromethyl)benzimidazol-1-yl]pyrazin-2-amine;N-[6-(difluoromethoxy)-3-pyridinyl]-6-[2-(difluoromethyl)-6-fluoro-[1,2,4]triazolo[1,5-a]pyridin-4-ium-3-yl]pyrazin-2-amine;N-[6-(difluoromethoxy)-3-pyridinyl]-6-(6-fluoro-2-methyl-[1,2,4]triazolo[1,5-a]pyridin-4-ium-3-yl)pyrazin-2-amine;6-[2-(difluoromethyl)benzimidazol-1-yl]-N-[4-(trifluoromethyl)phenyl]pyrazin-2-amine has a molecular weight of 2042.64 g/mol, XLogP of 21.66, 27 rotatable bonds, 5 hydrogen bond donors, and 31 hydrogen bond acceptors.

Where does this data come from?

All data for N-[4-(difluoromethoxy)-3-fluorophenyl]-6-[2-(difluoromethyl)benzimidazol-1-yl]pyrazin-2-amine;N-[4-(difluoromethoxy)phenyl]-6-[2-(difluoromethyl)benzimidazol-1-yl]pyrazin-2-amine;N-[6-(difluoromethoxy)-3-pyridinyl]-6-[2-(difluoromethyl)-6-fluoro-[1,2,4]triazolo[1,5-a]pyridin-4-ium-3-yl]pyrazin-2-amine;N-[6-(difluoromethoxy)-3-pyridinyl]-6-(6-fluoro-2-methyl-[1,2,4]triazolo[1,5-a]pyridin-4-ium-3-yl)pyrazin-2-amine;6-[2-(difluoromethyl)benzimidazol-1-yl]-N-[4-(trifluoromethyl)phenyl]pyrazin-2-amine is sourced from PubChem (CID 160764097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).