2-N-[4-(difluoromethoxy)phenyl]-6-(2-methylbenzimidazol-1-yl)pyridine-2,4-diamine;N-[4-(difluoromethoxy)phenyl]-6-(2-methylpyrazolo[1,5-a]pyridin-3-yl)pyrazin-2-amine;6-(5,6-difluoro-2-methylbenzimidazol-1-yl)-4-oxido-N-[4-(trifluoromethyl)phenyl]pyrazin-4-ium-2-amine;4-fluoro-6-(2-methylbenzimidazol-1-yl)-N-[4-(trifluoromethyl)phenyl]pyridin-2-amine;6-(2-methylpyrazolo[1,5-a]pyridin-3-yl)-N-[4-(trifluoromethyl)phenyl]pyrazin-2-amine

C97H72F16N24O3 — CID 159672978

About 2-N-[4-(difluoromethoxy)phenyl]-6-(2-methylbenzimidazol-1-yl)pyridine-2,4-diamine;N-[4-(difluoromethoxy)phenyl]-6-(2-methylpyrazolo[1,5-a]pyridin-3-yl)pyrazin-2-amine;6-(5,6-difluoro-2-methylbenzimidazol-1-yl)-4-oxido-N-[4-(trifluoromethyl)phenyl]pyrazin-4-ium-2-amine;4-fluoro-6-(2-methylbenzimidazol-1-yl)-N-[4-(trifluoromethyl)phenyl]pyridin-2-amine;6-(2-methylpyrazolo[1,5-a]pyridin-3-yl)-N-[4-(trifluoromethyl)phenyl]pyrazin-2-amine

2-N-[4-(difluoromethoxy)phenyl]-6-(2-methylbenzimidazol-1-yl)pyridine-2,4-diamine;N-[4-(difluoromethoxy)phenyl]-6-(2-methylpyrazolo[1,5-a]pyridin-3-yl)pyrazin-2-amine;6-(5,6-difluoro-2-methylbenzimidazol-1-yl)-4-oxido-N-[4-(trifluoromethyl)phenyl]pyrazin-4-ium-2-amine;4-fluoro-6-(2-methylbenzimidazol-1-yl)-N-[4-(trifluoromethyl)phenyl]pyridin-2-amine;6-(2-methylpyrazolo[1,5-a]pyridin-3-yl)-N-[4-(trifluoromethyl)phenyl]pyrazin-2-amine (PubChem CID 159672978) has the molecular formula C97H72F16N24O3 and a molecular weight of 1925.78 g/mol. Its IUPAC name is 2-N-[4-(difluoromethoxy)phenyl]-6-(2-methylbenzimidazol-1-yl)pyridine-2,4-diamine;N-[4-(difluoromethoxy)phenyl]-6-(2-methylpyrazolo[1,5-a]pyridin-3-yl)pyrazin-2-amine;6-(5,6-difluoro-2-methylbenzimidazol-1-yl)-4-oxido-N-[4-(trifluoromethyl)phenyl]pyrazin-4-ium-2-amine;4-fluoro-6-(2-methylbenzimidazol-1-yl)-N-[4-(trifluoromethyl)phenyl]pyridin-2-amine;6-(2-methylpyrazolo[1,5-a]pyridin-3-yl)-N-[4-(trifluoromethyl)phenyl]pyrazin-2-amine.

Molecular Properties

• Compound Name: 2-N-[4-(difluoromethoxy)phenyl]-6-(2-methylbenzimidazol-1-yl)pyridine-2,4-diamine;N-[4-(difluoromethoxy)phenyl]-6-(2-methylpyrazolo[1,5-a]pyridin-3-yl)pyrazin-2-amine;6-(5,6-difluoro-2-methylbenzimidazol-1-yl)-4-oxido-N-[4-(trifluoromethyl)phenyl]pyrazin-4-ium-2-amine;4-fluoro-6-(2-methylbenzimidazol-1-yl)-N-[4-(trifluoromethyl)phenyl]pyridin-2-amine;6-(2-methylpyrazolo[1,5-a]pyridin-3-yl)-N-[4-(trifluoromethyl)phenyl]pyrazin-2-amine
• PubChem CID: 159672978
• Molecular Formula: C97H72F16N24O3
• Molecular Weight: 1925.78 g/mol
• Exact Mass: 1924.60
• IUPAC Name: 2-N-[4-(difluoromethoxy)phenyl]-6-(2-methylbenzimidazol-1-yl)pyridine-2,4-diamine;N-[4-(difluoromethoxy)phenyl]-6-(2-methylpyrazolo[1,5-a]pyridin-3-yl)pyrazin-2-amine;6-(5,6-difluoro-2-methylbenzimidazol-1-yl)-4-oxido-N-[4-(trifluoromethyl)phenyl]pyrazin-4-ium-2-amine;4-fluoro-6-(2-methylbenzimidazol-1-yl)-N-[4-(trifluoromethyl)phenyl]pyridin-2-amine;6-(2-methylpyrazolo[1,5-a]pyridin-3-yl)-N-[4-(trifluoromethyl)phenyl]pyrazin-2-amine
• SMILES: Cc1nc2cc(F)c(F)cc2n1-c1c[n+]([O-])cc(Nc2ccc(C(F)(F)F)cc2)n1.Cc1nc2ccccc2n1-c1cc(F)cc(Nc2ccc(C(F)(F)F)cc2)n1.Cc1nc2ccccc2n1-c1cc(N)cc(Nc2ccc(OC(F)F)cc2)n1.Cc1nn2ccccc2c1-c1cncc(Nc2ccc(C(F)(F)F)cc2)n1.Cc1nn2ccccc2c1-c1cncc(Nc2ccc(OC(F)F)cc2)n1
• InChI: InChI=1S/C20H14F4N4.C20H17F2N5O.C19H12F5N5O.C19H14F3N5.C19H15F2N5O/c1-12-25-16-4-2-3-5-17(16)28(12)19-11-14(21)10-18(27-19)26-15-8-6-13(7-9-15)20(22,23)24;1-12-24-16-4-2-3-5-17(16)27(12)19-11-13(23)10-18(26-19)25-14-6-8-15(9-7-14)28-20(21)22;1-10-25-15-6-13(20)14(21)7-16(15)29(10)18-9-28(30)8-17(27-18)26-12-4-2-11(3-5-12)19(22,23)24;1-12-18(16-4-2-3-9-27(16)26-12)15-10-23-11-17(25-15)24-14-7-5-13(6-8-14)19(20,21)22;1-12-18(16-4-2-3-9-26(16)25-12)15-10-22-11-17(24-15)23-13-5-7-14(8-6-13)27-19(20)21/h2-11H,1H3,(H,26,27);2-11,20H,1H3,(H3,23,25,26);2-9H,1H3,(H,26,27);2-11H,1H3,(H,24,25);2-11,19H,1H3,(H,23,24)
• InChIKey: MUFRBUNQHJJJAH-UHFFFAOYSA-N
• XLogP: 24.00
• TPSA: 309.86 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 26
• Rotatable Bonds: 19
• Heavy Atoms: 140
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1925.78
LogP ≤ 5	24.00
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	26

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 2-N-[4-(difluoromethoxy)phenyl]-6-(2-methylbenzimidazol-1-yl)pyridine-2,4-diamine;N-[4-(difluoromethoxy)phenyl]-6-(2-methylpyrazolo[1,5-a]pyridin-3-yl)pyrazin-2-amine;6-(5,6-difluoro-2-methylbenzimidazol-1-yl)-4-oxido-N-[4-(trifluoromethyl)phenyl]pyrazin-4-ium-2-amine;4-fluoro-6-(2-methylbenzimidazol-1-yl)-N-[4-(trifluoromethyl)phenyl]pyridin-2-amine;6-(2-methylpyrazolo[1,5-a]pyridin-3-yl)-N-[4-(trifluoromethyl)phenyl]pyrazin-2-amine?

The IUPAC name of 2-N-[4-(difluoromethoxy)phenyl]-6-(2-methylbenzimidazol-1-yl)pyridine-2,4-diamine;N-[4-(difluoromethoxy)phenyl]-6-(2-methylpyrazolo[1,5-a]pyridin-3-yl)pyrazin-2-amine;6-(5,6-difluoro-2-methylbenzimidazol-1-yl)-4-oxido-N-[4-(trifluoromethyl)phenyl]pyrazin-4-ium-2-amine;4-fluoro-6-(2-methylbenzimidazol-1-yl)-N-[4-(trifluoromethyl)phenyl]pyridin-2-amine;6-(2-methylpyrazolo[1,5-a]pyridin-3-yl)-N-[4-(trifluoromethyl)phenyl]pyrazin-2-amine (CID 159672978) is 2-N-[4-(difluoromethoxy)phenyl]-6-(2-methylbenzimidazol-1-yl)pyridine-2,4-diamine;N-[4-(difluoromethoxy)phenyl]-6-(2-methylpyrazolo[1,5-a]pyridin-3-yl)pyrazin-2-amine;6-(5,6-difluoro-2-methylbenzimidazol-1-yl)-4-oxido-N-[4-(trifluoromethyl)phenyl]pyrazin-4-ium-2-amine;4-fluoro-6-(2-methylbenzimidazol-1-yl)-N-[4-(trifluoromethyl)phenyl]pyridin-2-amine;6-(2-methylpyrazolo[1,5-a]pyridin-3-yl)-N-[4-(trifluoromethyl)phenyl]pyrazin-2-amine.

What is the SMILES notation for 2-N-[4-(difluoromethoxy)phenyl]-6-(2-methylbenzimidazol-1-yl)pyridine-2,4-diamine;N-[4-(difluoromethoxy)phenyl]-6-(2-methylpyrazolo[1,5-a]pyridin-3-yl)pyrazin-2-amine;6-(5,6-difluoro-2-methylbenzimidazol-1-yl)-4-oxido-N-[4-(trifluoromethyl)phenyl]pyrazin-4-ium-2-amine;4-fluoro-6-(2-methylbenzimidazol-1-yl)-N-[4-(trifluoromethyl)phenyl]pyridin-2-amine;6-(2-methylpyrazolo[1,5-a]pyridin-3-yl)-N-[4-(trifluoromethyl)phenyl]pyrazin-2-amine?

The canonical SMILES for 2-N-[4-(difluoromethoxy)phenyl]-6-(2-methylbenzimidazol-1-yl)pyridine-2,4-diamine;N-[4-(difluoromethoxy)phenyl]-6-(2-methylpyrazolo[1,5-a]pyridin-3-yl)pyrazin-2-amine;6-(5,6-difluoro-2-methylbenzimidazol-1-yl)-4-oxido-N-[4-(trifluoromethyl)phenyl]pyrazin-4-ium-2-amine;4-fluoro-6-(2-methylbenzimidazol-1-yl)-N-[4-(trifluoromethyl)phenyl]pyridin-2-amine;6-(2-methylpyrazolo[1,5-a]pyridin-3-yl)-N-[4-(trifluoromethyl)phenyl]pyrazin-2-amine is Cc1nc2cc(F)c(F)cc2n1-c1c[n+]([O-])cc(Nc2ccc(C(F)(F)F)cc2)n1.Cc1nc2ccccc2n1-c1cc(F)cc(Nc2ccc(C(F)(F)F)cc2)n1.Cc1nc2ccccc2n1-c1cc(N)cc(Nc2ccc(OC(F)F)cc2)n1.Cc1nn2ccccc2c1-c1cncc(Nc2ccc(C(F)(F)F)cc2)n1.Cc1nn2ccccc2c1-c1cncc(Nc2ccc(OC(F)F)cc2)n1.

What is the InChIKey of 2-N-[4-(difluoromethoxy)phenyl]-6-(2-methylbenzimidazol-1-yl)pyridine-2,4-diamine;N-[4-(difluoromethoxy)phenyl]-6-(2-methylpyrazolo[1,5-a]pyridin-3-yl)pyrazin-2-amine;6-(5,6-difluoro-2-methylbenzimidazol-1-yl)-4-oxido-N-[4-(trifluoromethyl)phenyl]pyrazin-4-ium-2-amine;4-fluoro-6-(2-methylbenzimidazol-1-yl)-N-[4-(trifluoromethyl)phenyl]pyridin-2-amine;6-(2-methylpyrazolo[1,5-a]pyridin-3-yl)-N-[4-(trifluoromethyl)phenyl]pyrazin-2-amine?

The InChIKey is MUFRBUNQHJJJAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14F4N4.C20H17F2N5O.C19H12F5N5O.C19H14F3N5.C19H15F2N5O/c1-12-25-16-4-2-3-5-17(16)28(12)19-11-14(21)10-18(27-19)26-15-8-6-13(7-9-15)20(22,23)24;1-12-24-16-4-2-3-5-17(16)27(12)19-11-13(23)10-18(26-19)25-14-6-8-15(9-7-14)28-20(21)22;1-10-25-15-6-13(20)14(21)7-16(15)29(10)18-9-28(30)8-17(27-18)26-12-4-2-11(3-5-12)19(22,23)24;1-12-18(16-4-2-3-9-27(16)26-12)15-10-23-11-17(25-15)24-14-7-5-13(6-8-14)19(20,21)22;1-12-18(16-4-2-3-9-26(16)25-12)15-10-22-11-17(24-15)23-13-5-7-14(8-6-13)27-19(20)21/h2-11H,1H3,(H,26,27);2-11,20H,1H3,(H3,23,25,26);2-9H,1H3,(H,26,27);2-11H,1H3,(H,24,25);2-11,19H,1H3,(H,23,24).

What are the key properties of 2-N-[4-(difluoromethoxy)phenyl]-6-(2-methylbenzimidazol-1-yl)pyridine-2,4-diamine;N-[4-(difluoromethoxy)phenyl]-6-(2-methylpyrazolo[1,5-a]pyridin-3-yl)pyrazin-2-amine;6-(5,6-difluoro-2-methylbenzimidazol-1-yl)-4-oxido-N-[4-(trifluoromethyl)phenyl]pyrazin-4-ium-2-amine;4-fluoro-6-(2-methylbenzimidazol-1-yl)-N-[4-(trifluoromethyl)phenyl]pyridin-2-amine;6-(2-methylpyrazolo[1,5-a]pyridin-3-yl)-N-[4-(trifluoromethyl)phenyl]pyrazin-2-amine?

2-N-[4-(difluoromethoxy)phenyl]-6-(2-methylbenzimidazol-1-yl)pyridine-2,4-diamine;N-[4-(difluoromethoxy)phenyl]-6-(2-methylpyrazolo[1,5-a]pyridin-3-yl)pyrazin-2-amine;6-(5,6-difluoro-2-methylbenzimidazol-1-yl)-4-oxido-N-[4-(trifluoromethyl)phenyl]pyrazin-4-ium-2-amine;4-fluoro-6-(2-methylbenzimidazol-1-yl)-N-[4-(trifluoromethyl)phenyl]pyridin-2-amine;6-(2-methylpyrazolo[1,5-a]pyridin-3-yl)-N-[4-(trifluoromethyl)phenyl]pyrazin-2-amine has a molecular weight of 1925.78 g/mol, XLogP of 24.00, 19 rotatable bonds, 6 hydrogen bond donors, and 26 hydrogen bond acceptors.

Where does this data come from?

All data for 2-N-[4-(difluoromethoxy)phenyl]-6-(2-methylbenzimidazol-1-yl)pyridine-2,4-diamine;N-[4-(difluoromethoxy)phenyl]-6-(2-methylpyrazolo[1,5-a]pyridin-3-yl)pyrazin-2-amine;6-(5,6-difluoro-2-methylbenzimidazol-1-yl)-4-oxido-N-[4-(trifluoromethyl)phenyl]pyrazin-4-ium-2-amine;4-fluoro-6-(2-methylbenzimidazol-1-yl)-N-[4-(trifluoromethyl)phenyl]pyridin-2-amine;6-(2-methylpyrazolo[1,5-a]pyridin-3-yl)-N-[4-(trifluoromethyl)phenyl]pyrazin-2-amine is sourced from PubChem (CID 159672978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).