N-[4-(difluoromethoxy)-3-fluorophenyl]-6-(1-ethyl-3,5-dimethylpyrazol-4-yl)pyrazin-2-amine;2-[6-fluoro-2-(hydroxymethyl)imidazo[1,2-a]pyridin-3-yl]-6-[4-(trifluoromethyl)anilino]pyridine-4-carbonitrile;2-(6-hydroxy-2-methylimidazo[1,2-a]pyridin-3-yl)-6-[4-(trifluoromethyl)anilino]pyridine-4-carbonitrile;2-(6-methoxy-2-methylimidazo[1,2-a]pyridin-3-yl)-6-[4-(trifluoromethoxy)anilino]pyridine-4-carbonitrile;6-quinolin-4-yl-N-[4-(trifluoromethyl)phenyl]pyrazin-2-amine

C102H74F16N24O5 — CID 157128795

About N-[4-(difluoromethoxy)-3-fluorophenyl]-6-(1-ethyl-3,5-dimethylpyrazol-4-yl)pyrazin-2-amine;2-[6-fluoro-2-(hydroxymethyl)imidazo[1,2-a]pyridin-3-yl]-6-[4-(trifluoromethyl)anilino]pyridine-4-carbonitrile;2-(6-hydroxy-2-methylimidazo[1,2-a]pyridin-3-yl)-6-[4-(trifluoromethyl)anilino]pyridine-4-carbonitrile;2-(6-methoxy-2-methylimidazo[1,2-a]pyridin-3-yl)-6-[4-(trifluoromethoxy)anilino]pyridine-4-carbonitrile;6-quinolin-4-yl-N-[4-(trifluoromethyl)phenyl]pyrazin-2-amine

N-[4-(difluoromethoxy)-3-fluorophenyl]-6-(1-ethyl-3,5-dimethylpyrazol-4-yl)pyrazin-2-amine;2-[6-fluoro-2-(hydroxymethyl)imidazo[1,2-a]pyridin-3-yl]-6-[4-(trifluoromethyl)anilino]pyridine-4-carbonitrile;2-(6-hydroxy-2-methylimidazo[1,2-a]pyridin-3-yl)-6-[4-(trifluoromethyl)anilino]pyridine-4-carbonitrile;2-(6-methoxy-2-methylimidazo[1,2-a]pyridin-3-yl)-6-[4-(trifluoromethoxy)anilino]pyridine-4-carbonitrile;6-quinolin-4-yl-N-[4-(trifluoromethyl)phenyl]pyrazin-2-amine (PubChem CID 157128795) has the molecular formula C102H74F16N24O5 and a molecular weight of 2019.84 g/mol. Its IUPAC name is N-[4-(difluoromethoxy)-3-fluorophenyl]-6-(1-ethyl-3,5-dimethylpyrazol-4-yl)pyrazin-2-amine;2-[6-fluoro-2-(hydroxymethyl)imidazo[1,2-a]pyridin-3-yl]-6-[4-(trifluoromethyl)anilino]pyridine-4-carbonitrile;2-(6-hydroxy-2-methylimidazo[1,2-a]pyridin-3-yl)-6-[4-(trifluoromethyl)anilino]pyridine-4-carbonitrile;2-(6-methoxy-2-methylimidazo[1,2-a]pyridin-3-yl)-6-[4-(trifluoromethoxy)anilino]pyridine-4-carbonitrile;6-quinolin-4-yl-N-[4-(trifluoromethyl)phenyl]pyrazin-2-amine.

Molecular Properties

• Compound Name: N-[4-(difluoromethoxy)-3-fluorophenyl]-6-(1-ethyl-3,5-dimethylpyrazol-4-yl)pyrazin-2-amine;2-[6-fluoro-2-(hydroxymethyl)imidazo[1,2-a]pyridin-3-yl]-6-[4-(trifluoromethyl)anilino]pyridine-4-carbonitrile;2-(6-hydroxy-2-methylimidazo[1,2-a]pyridin-3-yl)-6-[4-(trifluoromethyl)anilino]pyridine-4-carbonitrile;2-(6-methoxy-2-methylimidazo[1,2-a]pyridin-3-yl)-6-[4-(trifluoromethoxy)anilino]pyridine-4-carbonitrile;6-quinolin-4-yl-N-[4-(trifluoromethyl)phenyl]pyrazin-2-amine
• PubChem CID: 157128795
• Molecular Formula: C102H74F16N24O5
• Molecular Weight: 2019.84 g/mol
• Exact Mass: 2018.60
• IUPAC Name: N-[4-(difluoromethoxy)-3-fluorophenyl]-6-(1-ethyl-3,5-dimethylpyrazol-4-yl)pyrazin-2-amine;2-[6-fluoro-2-(hydroxymethyl)imidazo[1,2-a]pyridin-3-yl]-6-[4-(trifluoromethyl)anilino]pyridine-4-carbonitrile;2-(6-hydroxy-2-methylimidazo[1,2-a]pyridin-3-yl)-6-[4-(trifluoromethyl)anilino]pyridine-4-carbonitrile;2-(6-methoxy-2-methylimidazo[1,2-a]pyridin-3-yl)-6-[4-(trifluoromethoxy)anilino]pyridine-4-carbonitrile;6-quinolin-4-yl-N-[4-(trifluoromethyl)phenyl]pyrazin-2-amine
• SMILES: CCn1nc(C)c(-c2cncc(Nc3ccc(OC(F)F)c(F)c3)n2)c1C.COc1ccc2nc(C)c(-c3cc(C#N)cc(Nc4ccc(OC(F)(F)F)cc4)n3)n2c1.Cc1nc2ccc(O)cn2c1-c1cc(C#N)cc(Nc2ccc(C(F)(F)F)cc2)n1.FC(F)(F)c1ccc(Nc2cncc(-c3ccnc4ccccc34)n2)cc1.N#Cc1cc(Nc2ccc(C(F)(F)F)cc2)nc(-c2c(CO)nc3ccc(F)cn23)c1
• InChI: InChI=1S/C22H16F3N5O2.C21H13F4N5O.C21H14F3N5O.C20H13F3N4.C18H18F3N5O/c1-13-21(30-12-17(31-2)7-8-20(30)27-13)18-9-14(11-26)10-19(29-18)28-15-3-5-16(6-4-15)32-22(23,24)25;22-14-3-6-19-29-17(11-31)20(30(19)10-14)16-7-12(9-26)8-18(28-16)27-15-4-1-13(2-5-15)21(23,24)25;1-12-20(29-11-16(30)6-7-19(29)26-12)17-8-13(10-25)9-18(28-17)27-15-4-2-14(3-5-15)21(22,23)24;21-20(22,23)13-5-7-14(8-6-13)26-19-12-24-11-18(27-19)16-9-10-25-17-4-2-1-3-15(16)17;1-4-26-11(3)17(10(2)25-26)14-8-22-9-16(24-14)23-12-5-6-15(13(19)7-12)27-18(20)21/h3-10,12H,1-2H3,(H,28,29);1-8,10,31H,11H2,(H,27,28);2-9,11,30H,1H3,(H,27,28);1-12H,(H,26,27);5-9,18H,4H2,1-3H3,(H,23,24)
• InChIKey: AIUSOQKCRIUYRK-UHFFFAOYSA-N
• XLogP: 24.85
• TPSA: 372.51 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 29
• Rotatable Bonds: 21
• Heavy Atoms: 147
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2019.84
LogP ≤ 5	24.85
H-Bond Donors ≤ 5	7
H-Bond Acceptors ≤ 10	29

Frequently Asked Questions

What is the IUPAC name of N-[4-(difluoromethoxy)-3-fluorophenyl]-6-(1-ethyl-3,5-dimethylpyrazol-4-yl)pyrazin-2-amine;2-[6-fluoro-2-(hydroxymethyl)imidazo[1,2-a]pyridin-3-yl]-6-[4-(trifluoromethyl)anilino]pyridine-4-carbonitrile;2-(6-hydroxy-2-methylimidazo[1,2-a]pyridin-3-yl)-6-[4-(trifluoromethyl)anilino]pyridine-4-carbonitrile;2-(6-methoxy-2-methylimidazo[1,2-a]pyridin-3-yl)-6-[4-(trifluoromethoxy)anilino]pyridine-4-carbonitrile;6-quinolin-4-yl-N-[4-(trifluoromethyl)phenyl]pyrazin-2-amine?

The IUPAC name of N-[4-(difluoromethoxy)-3-fluorophenyl]-6-(1-ethyl-3,5-dimethylpyrazol-4-yl)pyrazin-2-amine;2-[6-fluoro-2-(hydroxymethyl)imidazo[1,2-a]pyridin-3-yl]-6-[4-(trifluoromethyl)anilino]pyridine-4-carbonitrile;2-(6-hydroxy-2-methylimidazo[1,2-a]pyridin-3-yl)-6-[4-(trifluoromethyl)anilino]pyridine-4-carbonitrile;2-(6-methoxy-2-methylimidazo[1,2-a]pyridin-3-yl)-6-[4-(trifluoromethoxy)anilino]pyridine-4-carbonitrile;6-quinolin-4-yl-N-[4-(trifluoromethyl)phenyl]pyrazin-2-amine (CID 157128795) is N-[4-(difluoromethoxy)-3-fluorophenyl]-6-(1-ethyl-3,5-dimethylpyrazol-4-yl)pyrazin-2-amine;2-[6-fluoro-2-(hydroxymethyl)imidazo[1,2-a]pyridin-3-yl]-6-[4-(trifluoromethyl)anilino]pyridine-4-carbonitrile;2-(6-hydroxy-2-methylimidazo[1,2-a]pyridin-3-yl)-6-[4-(trifluoromethyl)anilino]pyridine-4-carbonitrile;2-(6-methoxy-2-methylimidazo[1,2-a]pyridin-3-yl)-6-[4-(trifluoromethoxy)anilino]pyridine-4-carbonitrile;6-quinolin-4-yl-N-[4-(trifluoromethyl)phenyl]pyrazin-2-amine.

What is the SMILES notation for N-[4-(difluoromethoxy)-3-fluorophenyl]-6-(1-ethyl-3,5-dimethylpyrazol-4-yl)pyrazin-2-amine;2-[6-fluoro-2-(hydroxymethyl)imidazo[1,2-a]pyridin-3-yl]-6-[4-(trifluoromethyl)anilino]pyridine-4-carbonitrile;2-(6-hydroxy-2-methylimidazo[1,2-a]pyridin-3-yl)-6-[4-(trifluoromethyl)anilino]pyridine-4-carbonitrile;2-(6-methoxy-2-methylimidazo[1,2-a]pyridin-3-yl)-6-[4-(trifluoromethoxy)anilino]pyridine-4-carbonitrile;6-quinolin-4-yl-N-[4-(trifluoromethyl)phenyl]pyrazin-2-amine?

The canonical SMILES for N-[4-(difluoromethoxy)-3-fluorophenyl]-6-(1-ethyl-3,5-dimethylpyrazol-4-yl)pyrazin-2-amine;2-[6-fluoro-2-(hydroxymethyl)imidazo[1,2-a]pyridin-3-yl]-6-[4-(trifluoromethyl)anilino]pyridine-4-carbonitrile;2-(6-hydroxy-2-methylimidazo[1,2-a]pyridin-3-yl)-6-[4-(trifluoromethyl)anilino]pyridine-4-carbonitrile;2-(6-methoxy-2-methylimidazo[1,2-a]pyridin-3-yl)-6-[4-(trifluoromethoxy)anilino]pyridine-4-carbonitrile;6-quinolin-4-yl-N-[4-(trifluoromethyl)phenyl]pyrazin-2-amine is CCn1nc(C)c(-c2cncc(Nc3ccc(OC(F)F)c(F)c3)n2)c1C.COc1ccc2nc(C)c(-c3cc(C#N)cc(Nc4ccc(OC(F)(F)F)cc4)n3)n2c1.Cc1nc2ccc(O)cn2c1-c1cc(C#N)cc(Nc2ccc(C(F)(F)F)cc2)n1.FC(F)(F)c1ccc(Nc2cncc(-c3ccnc4ccccc34)n2)cc1.N#Cc1cc(Nc2ccc(C(F)(F)F)cc2)nc(-c2c(CO)nc3ccc(F)cn23)c1.

What is the InChIKey of N-[4-(difluoromethoxy)-3-fluorophenyl]-6-(1-ethyl-3,5-dimethylpyrazol-4-yl)pyrazin-2-amine;2-[6-fluoro-2-(hydroxymethyl)imidazo[1,2-a]pyridin-3-yl]-6-[4-(trifluoromethyl)anilino]pyridine-4-carbonitrile;2-(6-hydroxy-2-methylimidazo[1,2-a]pyridin-3-yl)-6-[4-(trifluoromethyl)anilino]pyridine-4-carbonitrile;2-(6-methoxy-2-methylimidazo[1,2-a]pyridin-3-yl)-6-[4-(trifluoromethoxy)anilino]pyridine-4-carbonitrile;6-quinolin-4-yl-N-[4-(trifluoromethyl)phenyl]pyrazin-2-amine?

The InChIKey is AIUSOQKCRIUYRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16F3N5O2.C21H13F4N5O.C21H14F3N5O.C20H13F3N4.C18H18F3N5O/c1-13-21(30-12-17(31-2)7-8-20(30)27-13)18-9-14(11-26)10-19(29-18)28-15-3-5-16(6-4-15)32-22(23,24)25;22-14-3-6-19-29-17(11-31)20(30(19)10-14)16-7-12(9-26)8-18(28-16)27-15-4-1-13(2-5-15)21(23,24)25;1-12-20(29-11-16(30)6-7-19(29)26-12)17-8-13(10-25)9-18(28-17)27-15-4-2-14(3-5-15)21(22,23)24;21-20(22,23)13-5-7-14(8-6-13)26-19-12-24-11-18(27-19)16-9-10-25-17-4-2-1-3-15(16)17;1-4-26-11(3)17(10(2)25-26)14-8-22-9-16(24-14)23-12-5-6-15(13(19)7-12)27-18(20)21/h3-10,12H,1-2H3,(H,28,29);1-8,10,31H,11H2,(H,27,28);2-9,11,30H,1H3,(H,27,28);1-12H,(H,26,27);5-9,18H,4H2,1-3H3,(H,23,24).

What are the key properties of N-[4-(difluoromethoxy)-3-fluorophenyl]-6-(1-ethyl-3,5-dimethylpyrazol-4-yl)pyrazin-2-amine;2-[6-fluoro-2-(hydroxymethyl)imidazo[1,2-a]pyridin-3-yl]-6-[4-(trifluoromethyl)anilino]pyridine-4-carbonitrile;2-(6-hydroxy-2-methylimidazo[1,2-a]pyridin-3-yl)-6-[4-(trifluoromethyl)anilino]pyridine-4-carbonitrile;2-(6-methoxy-2-methylimidazo[1,2-a]pyridin-3-yl)-6-[4-(trifluoromethoxy)anilino]pyridine-4-carbonitrile;6-quinolin-4-yl-N-[4-(trifluoromethyl)phenyl]pyrazin-2-amine?

N-[4-(difluoromethoxy)-3-fluorophenyl]-6-(1-ethyl-3,5-dimethylpyrazol-4-yl)pyrazin-2-amine;2-[6-fluoro-2-(hydroxymethyl)imidazo[1,2-a]pyridin-3-yl]-6-[4-(trifluoromethyl)anilino]pyridine-4-carbonitrile;2-(6-hydroxy-2-methylimidazo[1,2-a]pyridin-3-yl)-6-[4-(trifluoromethyl)anilino]pyridine-4-carbonitrile;2-(6-methoxy-2-methylimidazo[1,2-a]pyridin-3-yl)-6-[4-(trifluoromethoxy)anilino]pyridine-4-carbonitrile;6-quinolin-4-yl-N-[4-(trifluoromethyl)phenyl]pyrazin-2-amine has a molecular weight of 2019.84 g/mol, XLogP of 24.85, 21 rotatable bonds, 7 hydrogen bond donors, and 29 hydrogen bond acceptors.

Where does this data come from?

All data for N-[4-(difluoromethoxy)-3-fluorophenyl]-6-(1-ethyl-3,5-dimethylpyrazol-4-yl)pyrazin-2-amine;2-[6-fluoro-2-(hydroxymethyl)imidazo[1,2-a]pyridin-3-yl]-6-[4-(trifluoromethyl)anilino]pyridine-4-carbonitrile;2-(6-hydroxy-2-methylimidazo[1,2-a]pyridin-3-yl)-6-[4-(trifluoromethyl)anilino]pyridine-4-carbonitrile;2-(6-methoxy-2-methylimidazo[1,2-a]pyridin-3-yl)-6-[4-(trifluoromethoxy)anilino]pyridine-4-carbonitrile;6-quinolin-4-yl-N-[4-(trifluoromethyl)phenyl]pyrazin-2-amine is sourced from PubChem (CID 157128795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).