2-(6-chloro-2-ethylimidazo[4,5-b]pyridin-1-yl)-6-[4-(difluoromethoxy)anilino]pyridine-4-carbonitrile;2-(6-chloro-2-ethylimidazo[4,5-b]pyridin-1-yl)-6-[4-(difluoromethoxy)-3-fluoroanilino]pyridine-4-carbonitrile;6-(2-cyclopropyl-6-fluoroimidazo[4,5-b]pyridin-1-yl)-N-[4-(difluoromethoxy)phenyl]pyrazin-2-amine;6-(6-fluoro-2-methylimidazo[1,2-a]pyrimidin-3-yl)-N-[4-(trifluoromethyl)phenyl]pyrazin-2-amine;6-(2-methyl-4,5,6,7-tetrahydroindazol-3-yl)-N-[4-(trifluoromethyl)phenyl]pyrazin-2-amine

C99H74Cl2F15N29O3 — CID 158182993

About 2-(6-chloro-2-ethylimidazo[4,5-b]pyridin-1-yl)-6-[4-(difluoromethoxy)anilino]pyridine-4-carbonitrile;2-(6-chloro-2-ethylimidazo[4,5-b]pyridin-1-yl)-6-[4-(difluoromethoxy)-3-fluoroanilino]pyridine-4-carbonitrile;6-(2-cyclopropyl-6-fluoroimidazo[4,5-b]pyridin-1-yl)-N-[4-(difluoromethoxy)phenyl]pyrazin-2-amine;6-(6-fluoro-2-methylimidazo[1,2-a]pyrimidin-3-yl)-N-[4-(trifluoromethyl)phenyl]pyrazin-2-amine;6-(2-methyl-4,5,6,7-tetrahydroindazol-3-yl)-N-[4-(trifluoromethyl)phenyl]pyrazin-2-amine

2-(6-chloro-2-ethylimidazo[4,5-b]pyridin-1-yl)-6-[4-(difluoromethoxy)anilino]pyridine-4-carbonitrile;2-(6-chloro-2-ethylimidazo[4,5-b]pyridin-1-yl)-6-[4-(difluoromethoxy)-3-fluoroanilino]pyridine-4-carbonitrile;6-(2-cyclopropyl-6-fluoroimidazo[4,5-b]pyridin-1-yl)-N-[4-(difluoromethoxy)phenyl]pyrazin-2-amine;6-(6-fluoro-2-methylimidazo[1,2-a]pyrimidin-3-yl)-N-[4-(trifluoromethyl)phenyl]pyrazin-2-amine;6-(2-methyl-4,5,6,7-tetrahydroindazol-3-yl)-N-[4-(trifluoromethyl)phenyl]pyrazin-2-amine (PubChem CID 158182993) has the molecular formula C99H74Cl2F15N29O3 and a molecular weight of 2073.76 g/mol. Its IUPAC name is 2-(6-chloro-2-ethylimidazo[4,5-b]pyridin-1-yl)-6-[4-(difluoromethoxy)anilino]pyridine-4-carbonitrile;2-(6-chloro-2-ethylimidazo[4,5-b]pyridin-1-yl)-6-[4-(difluoromethoxy)-3-fluoroanilino]pyridine-4-carbonitrile;6-(2-cyclopropyl-6-fluoroimidazo[4,5-b]pyridin-1-yl)-N-[4-(difluoromethoxy)phenyl]pyrazin-2-amine;6-(6-fluoro-2-methylimidazo[1,2-a]pyrimidin-3-yl)-N-[4-(trifluoromethyl)phenyl]pyrazin-2-amine;6-(2-methyl-4,5,6,7-tetrahydroindazol-3-yl)-N-[4-(trifluoromethyl)phenyl]pyrazin-2-amine.

Molecular Properties

• Compound Name: 2-(6-chloro-2-ethylimidazo[4,5-b]pyridin-1-yl)-6-[4-(difluoromethoxy)anilino]pyridine-4-carbonitrile;2-(6-chloro-2-ethylimidazo[4,5-b]pyridin-1-yl)-6-[4-(difluoromethoxy)-3-fluoroanilino]pyridine-4-carbonitrile;6-(2-cyclopropyl-6-fluoroimidazo[4,5-b]pyridin-1-yl)-N-[4-(difluoromethoxy)phenyl]pyrazin-2-amine;6-(6-fluoro-2-methylimidazo[1,2-a]pyrimidin-3-yl)-N-[4-(trifluoromethyl)phenyl]pyrazin-2-amine;6-(2-methyl-4,5,6,7-tetrahydroindazol-3-yl)-N-[4-(trifluoromethyl)phenyl]pyrazin-2-amine
• PubChem CID: 158182993
• Molecular Formula: C99H74Cl2F15N29O3
• Molecular Weight: 2073.76 g/mol
• Exact Mass: 2071.57
• IUPAC Name: 2-(6-chloro-2-ethylimidazo[4,5-b]pyridin-1-yl)-6-[4-(difluoromethoxy)anilino]pyridine-4-carbonitrile;2-(6-chloro-2-ethylimidazo[4,5-b]pyridin-1-yl)-6-[4-(difluoromethoxy)-3-fluoroanilino]pyridine-4-carbonitrile;6-(2-cyclopropyl-6-fluoroimidazo[4,5-b]pyridin-1-yl)-N-[4-(difluoromethoxy)phenyl]pyrazin-2-amine;6-(6-fluoro-2-methylimidazo[1,2-a]pyrimidin-3-yl)-N-[4-(trifluoromethyl)phenyl]pyrazin-2-amine;6-(2-methyl-4,5,6,7-tetrahydroindazol-3-yl)-N-[4-(trifluoromethyl)phenyl]pyrazin-2-amine
• SMILES: CCc1nc2ncc(Cl)cc2n1-c1cc(C#N)cc(Nc2ccc(OC(F)F)c(F)c2)n1.CCc1nc2ncc(Cl)cc2n1-c1cc(C#N)cc(Nc2ccc(OC(F)F)cc2)n1.Cc1nc2ncc(F)cn2c1-c1cncc(Nc2ccc(C(F)(F)F)cc2)n1.Cn1nc2c(c1-c1cncc(Nc3ccc(C(F)(F)F)cc3)n1)CCCC2.Fc1cnc2nc(C3CC3)n(-c3cncc(Nc4ccc(OC(F)F)cc4)n3)c2c1
• InChI: InChI=1S/C21H14ClF3N6O.C21H15ClF2N6O.C20H15F3N6O.C19H18F3N5.C18H12F4N6/c1-2-18-30-20-15(7-12(22)10-27-20)31(18)19-6-11(9-26)5-17(29-19)28-13-3-4-16(14(23)8-13)32-21(24)25;1-2-18-29-20-16(9-13(22)11-26-20)30(18)19-8-12(10-25)7-17(28-19)27-14-3-5-15(6-4-14)31-21(23)24;21-12-7-15-18(25-8-12)28-19(11-1-2-11)29(15)17-10-24-9-16(27-17)26-13-3-5-14(6-4-13)30-20(22)23;1-27-18(14-4-2-3-5-15(14)26-27)16-10-23-11-17(25-16)24-13-8-6-12(7-9-13)19(20,21)22;1-10-16(28-9-12(19)6-24-17(28)25-10)14-7-23-8-15(27-14)26-13-4-2-11(3-5-13)18(20,21)22/h3-8,10,21H,2H2,1H3,(H,28,29);3-9,11,21H,2H2,1H3,(H,27,28);3-11,20H,1-2H2,(H,26,27);6-11H,2-5H2,1H3,(H,24,25);2-9H,1H3,(H,26,27)
• InChIKey: FYVAQLUMFOPSBU-UHFFFAOYSA-N
• XLogP: 24.12
• TPSA: 378.68 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 32
• Rotatable Bonds: 24
• Heavy Atoms: 148
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2073.76
LogP ≤ 5	24.12
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	32

Frequently Asked Questions

What is the IUPAC name of 2-(6-chloro-2-ethylimidazo[4,5-b]pyridin-1-yl)-6-[4-(difluoromethoxy)anilino]pyridine-4-carbonitrile;2-(6-chloro-2-ethylimidazo[4,5-b]pyridin-1-yl)-6-[4-(difluoromethoxy)-3-fluoroanilino]pyridine-4-carbonitrile;6-(2-cyclopropyl-6-fluoroimidazo[4,5-b]pyridin-1-yl)-N-[4-(difluoromethoxy)phenyl]pyrazin-2-amine;6-(6-fluoro-2-methylimidazo[1,2-a]pyrimidin-3-yl)-N-[4-(trifluoromethyl)phenyl]pyrazin-2-amine;6-(2-methyl-4,5,6,7-tetrahydroindazol-3-yl)-N-[4-(trifluoromethyl)phenyl]pyrazin-2-amine?

The IUPAC name of 2-(6-chloro-2-ethylimidazo[4,5-b]pyridin-1-yl)-6-[4-(difluoromethoxy)anilino]pyridine-4-carbonitrile;2-(6-chloro-2-ethylimidazo[4,5-b]pyridin-1-yl)-6-[4-(difluoromethoxy)-3-fluoroanilino]pyridine-4-carbonitrile;6-(2-cyclopropyl-6-fluoroimidazo[4,5-b]pyridin-1-yl)-N-[4-(difluoromethoxy)phenyl]pyrazin-2-amine;6-(6-fluoro-2-methylimidazo[1,2-a]pyrimidin-3-yl)-N-[4-(trifluoromethyl)phenyl]pyrazin-2-amine;6-(2-methyl-4,5,6,7-tetrahydroindazol-3-yl)-N-[4-(trifluoromethyl)phenyl]pyrazin-2-amine (CID 158182993) is 2-(6-chloro-2-ethylimidazo[4,5-b]pyridin-1-yl)-6-[4-(difluoromethoxy)anilino]pyridine-4-carbonitrile;2-(6-chloro-2-ethylimidazo[4,5-b]pyridin-1-yl)-6-[4-(difluoromethoxy)-3-fluoroanilino]pyridine-4-carbonitrile;6-(2-cyclopropyl-6-fluoroimidazo[4,5-b]pyridin-1-yl)-N-[4-(difluoromethoxy)phenyl]pyrazin-2-amine;6-(6-fluoro-2-methylimidazo[1,2-a]pyrimidin-3-yl)-N-[4-(trifluoromethyl)phenyl]pyrazin-2-amine;6-(2-methyl-4,5,6,7-tetrahydroindazol-3-yl)-N-[4-(trifluoromethyl)phenyl]pyrazin-2-amine.

What is the SMILES notation for 2-(6-chloro-2-ethylimidazo[4,5-b]pyridin-1-yl)-6-[4-(difluoromethoxy)anilino]pyridine-4-carbonitrile;2-(6-chloro-2-ethylimidazo[4,5-b]pyridin-1-yl)-6-[4-(difluoromethoxy)-3-fluoroanilino]pyridine-4-carbonitrile;6-(2-cyclopropyl-6-fluoroimidazo[4,5-b]pyridin-1-yl)-N-[4-(difluoromethoxy)phenyl]pyrazin-2-amine;6-(6-fluoro-2-methylimidazo[1,2-a]pyrimidin-3-yl)-N-[4-(trifluoromethyl)phenyl]pyrazin-2-amine;6-(2-methyl-4,5,6,7-tetrahydroindazol-3-yl)-N-[4-(trifluoromethyl)phenyl]pyrazin-2-amine?

The canonical SMILES for 2-(6-chloro-2-ethylimidazo[4,5-b]pyridin-1-yl)-6-[4-(difluoromethoxy)anilino]pyridine-4-carbonitrile;2-(6-chloro-2-ethylimidazo[4,5-b]pyridin-1-yl)-6-[4-(difluoromethoxy)-3-fluoroanilino]pyridine-4-carbonitrile;6-(2-cyclopropyl-6-fluoroimidazo[4,5-b]pyridin-1-yl)-N-[4-(difluoromethoxy)phenyl]pyrazin-2-amine;6-(6-fluoro-2-methylimidazo[1,2-a]pyrimidin-3-yl)-N-[4-(trifluoromethyl)phenyl]pyrazin-2-amine;6-(2-methyl-4,5,6,7-tetrahydroindazol-3-yl)-N-[4-(trifluoromethyl)phenyl]pyrazin-2-amine is CCc1nc2ncc(Cl)cc2n1-c1cc(C#N)cc(Nc2ccc(OC(F)F)c(F)c2)n1.CCc1nc2ncc(Cl)cc2n1-c1cc(C#N)cc(Nc2ccc(OC(F)F)cc2)n1.Cc1nc2ncc(F)cn2c1-c1cncc(Nc2ccc(C(F)(F)F)cc2)n1.Cn1nc2c(c1-c1cncc(Nc3ccc(C(F)(F)F)cc3)n1)CCCC2.Fc1cnc2nc(C3CC3)n(-c3cncc(Nc4ccc(OC(F)F)cc4)n3)c2c1.

What is the InChIKey of 2-(6-chloro-2-ethylimidazo[4,5-b]pyridin-1-yl)-6-[4-(difluoromethoxy)anilino]pyridine-4-carbonitrile;2-(6-chloro-2-ethylimidazo[4,5-b]pyridin-1-yl)-6-[4-(difluoromethoxy)-3-fluoroanilino]pyridine-4-carbonitrile;6-(2-cyclopropyl-6-fluoroimidazo[4,5-b]pyridin-1-yl)-N-[4-(difluoromethoxy)phenyl]pyrazin-2-amine;6-(6-fluoro-2-methylimidazo[1,2-a]pyrimidin-3-yl)-N-[4-(trifluoromethyl)phenyl]pyrazin-2-amine;6-(2-methyl-4,5,6,7-tetrahydroindazol-3-yl)-N-[4-(trifluoromethyl)phenyl]pyrazin-2-amine?

The InChIKey is FYVAQLUMFOPSBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H14ClF3N6O.C21H15ClF2N6O.C20H15F3N6O.C19H18F3N5.C18H12F4N6/c1-2-18-30-20-15(7-12(22)10-27-20)31(18)19-6-11(9-26)5-17(29-19)28-13-3-4-16(14(23)8-13)32-21(24)25;1-2-18-29-20-16(9-13(22)11-26-20)30(18)19-8-12(10-25)7-17(28-19)27-14-3-5-15(6-4-14)31-21(23)24;21-12-7-15-18(25-8-12)28-19(11-1-2-11)29(15)17-10-24-9-16(27-17)26-13-3-5-14(6-4-13)30-20(22)23;1-27-18(14-4-2-3-5-15(14)26-27)16-10-23-11-17(25-16)24-13-8-6-12(7-9-13)19(20,21)22;1-10-16(28-9-12(19)6-24-17(28)25-10)14-7-23-8-15(27-14)26-13-4-2-11(3-5-13)18(20,21)22/h3-8,10,21H,2H2,1H3,(H,28,29);3-9,11,21H,2H2,1H3,(H,27,28);3-11,20H,1-2H2,(H,26,27);6-11H,2-5H2,1H3,(H,24,25);2-9H,1H3,(H,26,27).

What are the key properties of 2-(6-chloro-2-ethylimidazo[4,5-b]pyridin-1-yl)-6-[4-(difluoromethoxy)anilino]pyridine-4-carbonitrile;2-(6-chloro-2-ethylimidazo[4,5-b]pyridin-1-yl)-6-[4-(difluoromethoxy)-3-fluoroanilino]pyridine-4-carbonitrile;6-(2-cyclopropyl-6-fluoroimidazo[4,5-b]pyridin-1-yl)-N-[4-(difluoromethoxy)phenyl]pyrazin-2-amine;6-(6-fluoro-2-methylimidazo[1,2-a]pyrimidin-3-yl)-N-[4-(trifluoromethyl)phenyl]pyrazin-2-amine;6-(2-methyl-4,5,6,7-tetrahydroindazol-3-yl)-N-[4-(trifluoromethyl)phenyl]pyrazin-2-amine?

2-(6-chloro-2-ethylimidazo[4,5-b]pyridin-1-yl)-6-[4-(difluoromethoxy)anilino]pyridine-4-carbonitrile;2-(6-chloro-2-ethylimidazo[4,5-b]pyridin-1-yl)-6-[4-(difluoromethoxy)-3-fluoroanilino]pyridine-4-carbonitrile;6-(2-cyclopropyl-6-fluoroimidazo[4,5-b]pyridin-1-yl)-N-[4-(difluoromethoxy)phenyl]pyrazin-2-amine;6-(6-fluoro-2-methylimidazo[1,2-a]pyrimidin-3-yl)-N-[4-(trifluoromethyl)phenyl]pyrazin-2-amine;6-(2-methyl-4,5,6,7-tetrahydroindazol-3-yl)-N-[4-(trifluoromethyl)phenyl]pyrazin-2-amine has a molecular weight of 2073.76 g/mol, XLogP of 24.12, 24 rotatable bonds, 5 hydrogen bond donors, and 32 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(6-chloro-2-ethylimidazo[4,5-b]pyridin-1-yl)-6-[4-(difluoromethoxy)anilino]pyridine-4-carbonitrile;2-(6-chloro-2-ethylimidazo[4,5-b]pyridin-1-yl)-6-[4-(difluoromethoxy)-3-fluoroanilino]pyridine-4-carbonitrile;6-(2-cyclopropyl-6-fluoroimidazo[4,5-b]pyridin-1-yl)-N-[4-(difluoromethoxy)phenyl]pyrazin-2-amine;6-(6-fluoro-2-methylimidazo[1,2-a]pyrimidin-3-yl)-N-[4-(trifluoromethyl)phenyl]pyrazin-2-amine;6-(2-methyl-4,5,6,7-tetrahydroindazol-3-yl)-N-[4-(trifluoromethyl)phenyl]pyrazin-2-amine is sourced from PubChem (CID 158182993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).