6-(5-chloro-2-ethylpyrazolo[1,5-a]pyridin-3-yl)-N-[4-(trifluoromethyl)phenyl]pyrazin-2-amine;6-(6-chloro-2-methylimidazo[4,5-b]pyridin-1-yl)-N-[4-(difluoromethoxy)phenyl]pyrazin-2-amine;6-(2-cyclopropyl-5-fluoropyrazolo[1,5-a]pyridin-3-yl)-4-oxido-N-[4-(trifluoromethyl)phenyl]pyrazin-4-ium-2-amine;6-(5-fluoro-2-methylpyrazolo[1,5-a]pyridin-3-yl)-N-[4-(trifluoromethyl)phenyl]pyrazin-2-amine;6-[6-fluoro-2-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]-4-oxido-N-[4-(trifluoromethyl)phenyl]pyrazin-4-ium-2-amine

C97H66Cl2F20N26O3 — CID 158263987

About 6-(5-chloro-2-ethylpyrazolo[1,5-a]pyridin-3-yl)-N-[4-(trifluoromethyl)phenyl]pyrazin-2-amine;6-(6-chloro-2-methylimidazo[4,5-b]pyridin-1-yl)-N-[4-(difluoromethoxy)phenyl]pyrazin-2-amine;6-(2-cyclopropyl-5-fluoropyrazolo[1,5-a]pyridin-3-yl)-4-oxido-N-[4-(trifluoromethyl)phenyl]pyrazin-4-ium-2-amine;6-(5-fluoro-2-methylpyrazolo[1,5-a]pyridin-3-yl)-N-[4-(trifluoromethyl)phenyl]pyrazin-2-amine;6-[6-fluoro-2-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]-4-oxido-N-[4-(trifluoromethyl)phenyl]pyrazin-4-ium-2-amine

6-(5-chloro-2-ethylpyrazolo[1,5-a]pyridin-3-yl)-N-[4-(trifluoromethyl)phenyl]pyrazin-2-amine;6-(6-chloro-2-methylimidazo[4,5-b]pyridin-1-yl)-N-[4-(difluoromethoxy)phenyl]pyrazin-2-amine;6-(2-cyclopropyl-5-fluoropyrazolo[1,5-a]pyridin-3-yl)-4-oxido-N-[4-(trifluoromethyl)phenyl]pyrazin-4-ium-2-amine;6-(5-fluoro-2-methylpyrazolo[1,5-a]pyridin-3-yl)-N-[4-(trifluoromethyl)phenyl]pyrazin-2-amine;6-[6-fluoro-2-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]-4-oxido-N-[4-(trifluoromethyl)phenyl]pyrazin-4-ium-2-amine (PubChem CID 158263987) has the molecular formula C97H66Cl2F20N26O3 and a molecular weight of 2094.64 g/mol. Its IUPAC name is 6-(5-chloro-2-ethylpyrazolo[1,5-a]pyridin-3-yl)-N-[4-(trifluoromethyl)phenyl]pyrazin-2-amine;6-(6-chloro-2-methylimidazo[4,5-b]pyridin-1-yl)-N-[4-(difluoromethoxy)phenyl]pyrazin-2-amine;6-(2-cyclopropyl-5-fluoropyrazolo[1,5-a]pyridin-3-yl)-4-oxido-N-[4-(trifluoromethyl)phenyl]pyrazin-4-ium-2-amine;6-(5-fluoro-2-methylpyrazolo[1,5-a]pyridin-3-yl)-N-[4-(trifluoromethyl)phenyl]pyrazin-2-amine;6-[6-fluoro-2-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]-4-oxido-N-[4-(trifluoromethyl)phenyl]pyrazin-4-ium-2-amine.

Molecular Properties

• Compound Name: 6-(5-chloro-2-ethylpyrazolo[1,5-a]pyridin-3-yl)-N-[4-(trifluoromethyl)phenyl]pyrazin-2-amine;6-(6-chloro-2-methylimidazo[4,5-b]pyridin-1-yl)-N-[4-(difluoromethoxy)phenyl]pyrazin-2-amine;6-(2-cyclopropyl-5-fluoropyrazolo[1,5-a]pyridin-3-yl)-4-oxido-N-[4-(trifluoromethyl)phenyl]pyrazin-4-ium-2-amine;6-(5-fluoro-2-methylpyrazolo[1,5-a]pyridin-3-yl)-N-[4-(trifluoromethyl)phenyl]pyrazin-2-amine;6-[6-fluoro-2-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]-4-oxido-N-[4-(trifluoromethyl)phenyl]pyrazin-4-ium-2-amine
• PubChem CID: 158263987
• Molecular Formula: C97H66Cl2F20N26O3
• Molecular Weight: 2094.64 g/mol
• Exact Mass: 2092.49
• IUPAC Name: 6-(5-chloro-2-ethylpyrazolo[1,5-a]pyridin-3-yl)-N-[4-(trifluoromethyl)phenyl]pyrazin-2-amine;6-(6-chloro-2-methylimidazo[4,5-b]pyridin-1-yl)-N-[4-(difluoromethoxy)phenyl]pyrazin-2-amine;6-(2-cyclopropyl-5-fluoropyrazolo[1,5-a]pyridin-3-yl)-4-oxido-N-[4-(trifluoromethyl)phenyl]pyrazin-4-ium-2-amine;6-(5-fluoro-2-methylpyrazolo[1,5-a]pyridin-3-yl)-N-[4-(trifluoromethyl)phenyl]pyrazin-2-amine;6-[6-fluoro-2-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]-4-oxido-N-[4-(trifluoromethyl)phenyl]pyrazin-4-ium-2-amine
• SMILES: CCc1nn2ccc(Cl)cc2c1-c1cncc(Nc2ccc(C(F)(F)F)cc2)n1.Cc1nc2ncc(Cl)cc2n1-c1cncc(Nc2ccc(OC(F)F)cc2)n1.Cc1nn2ccc(F)cc2c1-c1cncc(Nc2ccc(C(F)(F)F)cc2)n1.[O-][n+]1cc(Nc2ccc(C(F)(F)F)cc2)nc(-c2c(C(F)(F)F)nc3ccc(F)cn23)c1.[O-][n+]1cc(Nc2ccc(C(F)(F)F)cc2)nc(-c2c(C3CC3)nn3ccc(F)cc23)c1
• InChI: InChI=1S/C21H15F4N5O.C20H15ClF3N5.C19H10F7N5O.C19H13F4N5.C18H13ClF2N6O/c22-14-7-8-30-17(9-14)19(20(28-30)12-1-2-12)16-10-29(31)11-18(27-16)26-15-5-3-13(4-6-15)21(23,24)25;1-2-15-19(17-9-13(21)7-8-29(17)28-15)16-10-25-11-18(27-16)26-14-5-3-12(4-6-14)20(22,23)24;20-11-3-6-15-29-17(19(24,25)26)16(31(15)7-11)13-8-30(32)9-14(28-13)27-12-4-1-10(2-5-12)18(21,22)23;1-11-18(16-8-13(20)6-7-28(16)27-11)15-9-24-10-17(26-15)25-14-4-2-12(3-5-14)19(21,22)23;1-10-24-17-14(6-11(19)7-23-17)27(10)16-9-22-8-15(26-16)25-12-2-4-13(5-3-12)28-18(20)21/h3-12H,1-2H2,(H,26,27);3-11H,2H2,1H3,(H,26,27);1-9H,(H,27,28);2-10H,1H3,(H,25,26);2-9,18H,1H3,(H,25,26)
• InChIKey: GIFDSARHGAQJTG-UHFFFAOYSA-N
• XLogP: 25.05
• TPSA: 326.29 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 27
• Rotatable Bonds: 19
• Heavy Atoms: 148
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2094.64
LogP ≤ 5	25.05
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	27

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 6-(5-chloro-2-ethylpyrazolo[1,5-a]pyridin-3-yl)-N-[4-(trifluoromethyl)phenyl]pyrazin-2-amine;6-(6-chloro-2-methylimidazo[4,5-b]pyridin-1-yl)-N-[4-(difluoromethoxy)phenyl]pyrazin-2-amine;6-(2-cyclopropyl-5-fluoropyrazolo[1,5-a]pyridin-3-yl)-4-oxido-N-[4-(trifluoromethyl)phenyl]pyrazin-4-ium-2-amine;6-(5-fluoro-2-methylpyrazolo[1,5-a]pyridin-3-yl)-N-[4-(trifluoromethyl)phenyl]pyrazin-2-amine;6-[6-fluoro-2-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]-4-oxido-N-[4-(trifluoromethyl)phenyl]pyrazin-4-ium-2-amine?

The IUPAC name of 6-(5-chloro-2-ethylpyrazolo[1,5-a]pyridin-3-yl)-N-[4-(trifluoromethyl)phenyl]pyrazin-2-amine;6-(6-chloro-2-methylimidazo[4,5-b]pyridin-1-yl)-N-[4-(difluoromethoxy)phenyl]pyrazin-2-amine;6-(2-cyclopropyl-5-fluoropyrazolo[1,5-a]pyridin-3-yl)-4-oxido-N-[4-(trifluoromethyl)phenyl]pyrazin-4-ium-2-amine;6-(5-fluoro-2-methylpyrazolo[1,5-a]pyridin-3-yl)-N-[4-(trifluoromethyl)phenyl]pyrazin-2-amine;6-[6-fluoro-2-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]-4-oxido-N-[4-(trifluoromethyl)phenyl]pyrazin-4-ium-2-amine (CID 158263987) is 6-(5-chloro-2-ethylpyrazolo[1,5-a]pyridin-3-yl)-N-[4-(trifluoromethyl)phenyl]pyrazin-2-amine;6-(6-chloro-2-methylimidazo[4,5-b]pyridin-1-yl)-N-[4-(difluoromethoxy)phenyl]pyrazin-2-amine;6-(2-cyclopropyl-5-fluoropyrazolo[1,5-a]pyridin-3-yl)-4-oxido-N-[4-(trifluoromethyl)phenyl]pyrazin-4-ium-2-amine;6-(5-fluoro-2-methylpyrazolo[1,5-a]pyridin-3-yl)-N-[4-(trifluoromethyl)phenyl]pyrazin-2-amine;6-[6-fluoro-2-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]-4-oxido-N-[4-(trifluoromethyl)phenyl]pyrazin-4-ium-2-amine.

What is the SMILES notation for 6-(5-chloro-2-ethylpyrazolo[1,5-a]pyridin-3-yl)-N-[4-(trifluoromethyl)phenyl]pyrazin-2-amine;6-(6-chloro-2-methylimidazo[4,5-b]pyridin-1-yl)-N-[4-(difluoromethoxy)phenyl]pyrazin-2-amine;6-(2-cyclopropyl-5-fluoropyrazolo[1,5-a]pyridin-3-yl)-4-oxido-N-[4-(trifluoromethyl)phenyl]pyrazin-4-ium-2-amine;6-(5-fluoro-2-methylpyrazolo[1,5-a]pyridin-3-yl)-N-[4-(trifluoromethyl)phenyl]pyrazin-2-amine;6-[6-fluoro-2-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]-4-oxido-N-[4-(trifluoromethyl)phenyl]pyrazin-4-ium-2-amine?

The canonical SMILES for 6-(5-chloro-2-ethylpyrazolo[1,5-a]pyridin-3-yl)-N-[4-(trifluoromethyl)phenyl]pyrazin-2-amine;6-(6-chloro-2-methylimidazo[4,5-b]pyridin-1-yl)-N-[4-(difluoromethoxy)phenyl]pyrazin-2-amine;6-(2-cyclopropyl-5-fluoropyrazolo[1,5-a]pyridin-3-yl)-4-oxido-N-[4-(trifluoromethyl)phenyl]pyrazin-4-ium-2-amine;6-(5-fluoro-2-methylpyrazolo[1,5-a]pyridin-3-yl)-N-[4-(trifluoromethyl)phenyl]pyrazin-2-amine;6-[6-fluoro-2-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]-4-oxido-N-[4-(trifluoromethyl)phenyl]pyrazin-4-ium-2-amine is CCc1nn2ccc(Cl)cc2c1-c1cncc(Nc2ccc(C(F)(F)F)cc2)n1.Cc1nc2ncc(Cl)cc2n1-c1cncc(Nc2ccc(OC(F)F)cc2)n1.Cc1nn2ccc(F)cc2c1-c1cncc(Nc2ccc(C(F)(F)F)cc2)n1.[O-][n+]1cc(Nc2ccc(C(F)(F)F)cc2)nc(-c2c(C(F)(F)F)nc3ccc(F)cn23)c1.[O-][n+]1cc(Nc2ccc(C(F)(F)F)cc2)nc(-c2c(C3CC3)nn3ccc(F)cc23)c1.

What is the InChIKey of 6-(5-chloro-2-ethylpyrazolo[1,5-a]pyridin-3-yl)-N-[4-(trifluoromethyl)phenyl]pyrazin-2-amine;6-(6-chloro-2-methylimidazo[4,5-b]pyridin-1-yl)-N-[4-(difluoromethoxy)phenyl]pyrazin-2-amine;6-(2-cyclopropyl-5-fluoropyrazolo[1,5-a]pyridin-3-yl)-4-oxido-N-[4-(trifluoromethyl)phenyl]pyrazin-4-ium-2-amine;6-(5-fluoro-2-methylpyrazolo[1,5-a]pyridin-3-yl)-N-[4-(trifluoromethyl)phenyl]pyrazin-2-amine;6-[6-fluoro-2-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]-4-oxido-N-[4-(trifluoromethyl)phenyl]pyrazin-4-ium-2-amine?

The InChIKey is GIFDSARHGAQJTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H15F4N5O.C20H15ClF3N5.C19H10F7N5O.C19H13F4N5.C18H13ClF2N6O/c22-14-7-8-30-17(9-14)19(20(28-30)12-1-2-12)16-10-29(31)11-18(27-16)26-15-5-3-13(4-6-15)21(23,24)25;1-2-15-19(17-9-13(21)7-8-29(17)28-15)16-10-25-11-18(27-16)26-14-5-3-12(4-6-14)20(22,23)24;20-11-3-6-15-29-17(19(24,25)26)16(31(15)7-11)13-8-30(32)9-14(28-13)27-12-4-1-10(2-5-12)18(21,22)23;1-11-18(16-8-13(20)6-7-28(16)27-11)15-9-24-10-17(26-15)25-14-4-2-12(3-5-14)19(21,22)23;1-10-24-17-14(6-11(19)7-23-17)27(10)16-9-22-8-15(26-16)25-12-2-4-13(5-3-12)28-18(20)21/h3-12H,1-2H2,(H,26,27);3-11H,2H2,1H3,(H,26,27);1-9H,(H,27,28);2-10H,1H3,(H,25,26);2-9,18H,1H3,(H,25,26).

What are the key properties of 6-(5-chloro-2-ethylpyrazolo[1,5-a]pyridin-3-yl)-N-[4-(trifluoromethyl)phenyl]pyrazin-2-amine;6-(6-chloro-2-methylimidazo[4,5-b]pyridin-1-yl)-N-[4-(difluoromethoxy)phenyl]pyrazin-2-amine;6-(2-cyclopropyl-5-fluoropyrazolo[1,5-a]pyridin-3-yl)-4-oxido-N-[4-(trifluoromethyl)phenyl]pyrazin-4-ium-2-amine;6-(5-fluoro-2-methylpyrazolo[1,5-a]pyridin-3-yl)-N-[4-(trifluoromethyl)phenyl]pyrazin-2-amine;6-[6-fluoro-2-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]-4-oxido-N-[4-(trifluoromethyl)phenyl]pyrazin-4-ium-2-amine?

6-(5-chloro-2-ethylpyrazolo[1,5-a]pyridin-3-yl)-N-[4-(trifluoromethyl)phenyl]pyrazin-2-amine;6-(6-chloro-2-methylimidazo[4,5-b]pyridin-1-yl)-N-[4-(difluoromethoxy)phenyl]pyrazin-2-amine;6-(2-cyclopropyl-5-fluoropyrazolo[1,5-a]pyridin-3-yl)-4-oxido-N-[4-(trifluoromethyl)phenyl]pyrazin-4-ium-2-amine;6-(5-fluoro-2-methylpyrazolo[1,5-a]pyridin-3-yl)-N-[4-(trifluoromethyl)phenyl]pyrazin-2-amine;6-[6-fluoro-2-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]-4-oxido-N-[4-(trifluoromethyl)phenyl]pyrazin-4-ium-2-amine has a molecular weight of 2094.64 g/mol, XLogP of 25.05, 19 rotatable bonds, 5 hydrogen bond donors, and 27 hydrogen bond acceptors.

Where does this data come from?

All data for 6-(5-chloro-2-ethylpyrazolo[1,5-a]pyridin-3-yl)-N-[4-(trifluoromethyl)phenyl]pyrazin-2-amine;6-(6-chloro-2-methylimidazo[4,5-b]pyridin-1-yl)-N-[4-(difluoromethoxy)phenyl]pyrazin-2-amine;6-(2-cyclopropyl-5-fluoropyrazolo[1,5-a]pyridin-3-yl)-4-oxido-N-[4-(trifluoromethyl)phenyl]pyrazin-4-ium-2-amine;6-(5-fluoro-2-methylpyrazolo[1,5-a]pyridin-3-yl)-N-[4-(trifluoromethyl)phenyl]pyrazin-2-amine;6-[6-fluoro-2-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]-4-oxido-N-[4-(trifluoromethyl)phenyl]pyrazin-4-ium-2-amine is sourced from PubChem (CID 158263987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).