[3-[2-cyclopropyl-3-(4-fluoro-1H-indazol-5-yl)imidazo[1,2-a]pyrazin-6-yl]phenyl]-pentafluoro-λ6-sulfane;4-[2-cyclopropyl-5-[4-fluoro-3-(1,1,2,2,2-pentafluoroethyl)phenyl]-3aH-pyrazolo[1,5-c]pyrimidin-8-ium-3-yl]-3,5-difluorophenol;3,5-difluoro-4-[5-[4-fluoro-3-(trifluoromethyl)phenyl]-2-propan-2-ylpyrazolo[1,5-c]pyrimidin-3-yl]phenol;4-[2-ethyl-6-[4-fluoro-3-(1,1,2,2,2-pentafluoroethyl)phenyl]imidazo[1,2-a]pyrazin-3-yl]-3,5-difluorophenol;4-[2-ethyl-5-[4-fluoro-3-(trifluoromethyl)phenyl]pyrazolo[1,5-c]pyrimidin-3-yl]-3,5-difluorophenol;3-fluoro-5-methyl-4-[2-methyl-6-[3-(1,1,2,2,2-pentafluoroethyl)phenyl]imidazo[1,2-a]pyrazin-3-yl]phenol

C132H85F40N20O5S+ — CID 160542122

About [3-[2-cyclopropyl-3-(4-fluoro-1H-indazol-5-yl)imidazo[1,2-a]pyrazin-6-yl]phenyl]-pentafluoro-λ6-sulfane;4-[2-cyclopropyl-5-[4-fluoro-3-(1,1,2,2,2-pentafluoroethyl)phenyl]-3aH-pyrazolo[1,5-c]pyrimidin-8-ium-3-yl]-3,5-difluorophenol;3,5-difluoro-4-[5-[4-fluoro-3-(trifluoromethyl)phenyl]-2-propan-2-ylpyrazolo[1,5-c]pyrimidin-3-yl]phenol;4-[2-ethyl-6-[4-fluoro-3-(1,1,2,2,2-pentafluoroethyl)phenyl]imidazo[1,2-a]pyrazin-3-yl]-3,5-difluorophenol;4-[2-ethyl-5-[4-fluoro-3-(trifluoromethyl)phenyl]pyrazolo[1,5-c]pyrimidin-3-yl]-3,5-difluorophenol;3-fluoro-5-methyl-4-[2-methyl-6-[3-(1,1,2,2,2-pentafluoroethyl)phenyl]imidazo[1,2-a]pyrazin-3-yl]phenol

[3-[2-cyclopropyl-3-(4-fluoro-1H-indazol-5-yl)imidazo[1,2-a]pyrazin-6-yl]phenyl]-pentafluoro-λ6-sulfane;4-[2-cyclopropyl-5-[4-fluoro-3-(1,1,2,2,2-pentafluoroethyl)phenyl]-3aH-pyrazolo[1,5-c]pyrimidin-8-ium-3-yl]-3,5-difluorophenol;3,5-difluoro-4-[5-[4-fluoro-3-(trifluoromethyl)phenyl]-2-propan-2-ylpyrazolo[1,5-c]pyrimidin-3-yl]phenol;4-[2-ethyl-6-[4-fluoro-3-(1,1,2,2,2-pentafluoroethyl)phenyl]imidazo[1,2-a]pyrazin-3-yl]-3,5-difluorophenol;4-[2-ethyl-5-[4-fluoro-3-(trifluoromethyl)phenyl]pyrazolo[1,5-c]pyrimidin-3-yl]-3,5-difluorophenol;3-fluoro-5-methyl-4-[2-methyl-6-[3-(1,1,2,2,2-pentafluoroethyl)phenyl]imidazo[1,2-a]pyrazin-3-yl]phenol (PubChem CID 160542122) has the molecular formula C132H85F40N20O5S+ and a molecular weight of 2823.25 g/mol. Its IUPAC name is [3-[2-cyclopropyl-3-(4-fluoro-1H-indazol-5-yl)imidazo[1,2-a]pyrazin-6-yl]phenyl]-pentafluoro-λ6-sulfane;4-[2-cyclopropyl-5-[4-fluoro-3-(1,1,2,2,2-pentafluoroethyl)phenyl]-3aH-pyrazolo[1,5-c]pyrimidin-8-ium-3-yl]-3,5-difluorophenol;3,5-difluoro-4-[5-[4-fluoro-3-(trifluoromethyl)phenyl]-2-propan-2-ylpyrazolo[1,5-c]pyrimidin-3-yl]phenol;4-[2-ethyl-6-[4-fluoro-3-(1,1,2,2,2-pentafluoroethyl)phenyl]imidazo[1,2-a]pyrazin-3-yl]-3,5-difluorophenol;4-[2-ethyl-5-[4-fluoro-3-(trifluoromethyl)phenyl]pyrazolo[1,5-c]pyrimidin-3-yl]-3,5-difluorophenol;3-fluoro-5-methyl-4-[2-methyl-6-[3-(1,1,2,2,2-pentafluoroethyl)phenyl]imidazo[1,2-a]pyrazin-3-yl]phenol.

Molecular Properties

• Compound Name: [3-[2-cyclopropyl-3-(4-fluoro-1H-indazol-5-yl)imidazo[1,2-a]pyrazin-6-yl]phenyl]-pentafluoro-λ6-sulfane;4-[2-cyclopropyl-5-[4-fluoro-3-(1,1,2,2,2-pentafluoroethyl)phenyl]-3aH-pyrazolo[1,5-c]pyrimidin-8-ium-3-yl]-3,5-difluorophenol;3,5-difluoro-4-[5-[4-fluoro-3-(trifluoromethyl)phenyl]-2-propan-2-ylpyrazolo[1,5-c]pyrimidin-3-yl]phenol;4-[2-ethyl-6-[4-fluoro-3-(1,1,2,2,2-pentafluoroethyl)phenyl]imidazo[1,2-a]pyrazin-3-yl]-3,5-difluorophenol;4-[2-ethyl-5-[4-fluoro-3-(trifluoromethyl)phenyl]pyrazolo[1,5-c]pyrimidin-3-yl]-3,5-difluorophenol;3-fluoro-5-methyl-4-[2-methyl-6-[3-(1,1,2,2,2-pentafluoroethyl)phenyl]imidazo[1,2-a]pyrazin-3-yl]phenol
• PubChem CID: 160542122
• Molecular Formula: C132H85F40N20O5S+
• Molecular Weight: 2823.25 g/mol
• Exact Mass: 2821.61
• IUPAC Name: [3-[2-cyclopropyl-3-(4-fluoro-1H-indazol-5-yl)imidazo[1,2-a]pyrazin-6-yl]phenyl]-pentafluoro-λ6-sulfane;4-[2-cyclopropyl-5-[4-fluoro-3-(1,1,2,2,2-pentafluoroethyl)phenyl]-3aH-pyrazolo[1,5-c]pyrimidin-8-ium-3-yl]-3,5-difluorophenol;3,5-difluoro-4-[5-[4-fluoro-3-(trifluoromethyl)phenyl]-2-propan-2-ylpyrazolo[1,5-c]pyrimidin-3-yl]phenol;4-[2-ethyl-6-[4-fluoro-3-(1,1,2,2,2-pentafluoroethyl)phenyl]imidazo[1,2-a]pyrazin-3-yl]-3,5-difluorophenol;4-[2-ethyl-5-[4-fluoro-3-(trifluoromethyl)phenyl]pyrazolo[1,5-c]pyrimidin-3-yl]-3,5-difluorophenol;3-fluoro-5-methyl-4-[2-methyl-6-[3-(1,1,2,2,2-pentafluoroethyl)phenyl]imidazo[1,2-a]pyrazin-3-yl]phenol
• SMILES: CC(C)c1nn2cnc(-c3ccc(F)c(C(F)(F)F)c3)cc2c1-c1c(F)cc(O)cc1F.CCc1nc2cnc(-c3ccc(F)c(C(F)(F)C(F)(F)F)c3)cn2c1-c1c(F)cc(O)cc1F.CCc1nn2cnc(-c3ccc(F)c(C(F)(F)F)c3)cc2c1-c1c(F)cc(O)cc1F.Cc1cc(O)cc(F)c1-c1c(C)nc2cnc(-c3cccc(C(F)(F)C(F)(F)F)c3)cn12.Fc1c(-c2c(C3CC3)nc3cnc(-c4cccc(S(F)(F)(F)(F)F)c4)cn23)ccc2[nH]ncc12.Oc1cc(F)c(C2=C(C3CC3)N=[N+]3C=NC(c4ccc(F)c(C(F)(F)C(F)(F)F)c4)=CC23)c(F)c1
• InChI: InChI=1S/C23H13F8N3O.C22H13F8N3O.C22H15F6N5S.2C22H15F6N3O.C21H13F6N3O/c24-14-4-3-11(5-13(14)22(27,28)23(29,30)31)17-8-18-20(19-15(25)6-12(35)7-16(19)26)21(10-1-2-10)33-34(18)9-32-17;1-2-16-20(19-14(24)6-11(34)7-15(19)25)33-9-17(31-8-18(33)32-16)10-3-4-13(23)12(5-10)21(26,27)22(28,29)30;23-20-15(6-7-17-16(20)9-30-32-17)22-21(12-4-5-12)31-19-10-29-18(11-33(19)22)13-2-1-3-14(8-13)34(24,25,26,27)28;1-10(2)21-20(19-15(24)6-12(32)7-16(19)25)18-8-17(29-9-31(18)30-21)11-3-4-14(23)13(5-11)22(26,27)28;1-11-6-15(32)8-16(23)19(11)20-12(2)30-18-9-29-17(10-31(18)20)13-4-3-5-14(7-13)21(24,25)22(26,27)28;1-2-16-20(19-14(23)6-11(31)7-15(19)24)18-8-17(28-9-30(18)29-16)10-3-4-13(22)12(5-10)21(25,26)27/h3-10,18H,1-2H2;3-9,34H,2H2,1H3;1-3,6-12H,4-5H2,(H,30,32);2*3-10,32H,1-2H3;3-9,31H,2H2,1H3/p+1
• InChIKey: WWWQAQYWXXMRRS-UHFFFAOYSA-O
• XLogP: 38.81
• TPSA: 308.51 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 23
• Rotatable Bonds: 21
• Heavy Atoms: 198
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2823.25
LogP ≤ 5	38.81
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	23

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of [3-[2-cyclopropyl-3-(4-fluoro-1H-indazol-5-yl)imidazo[1,2-a]pyrazin-6-yl]phenyl]-pentafluoro-λ6-sulfane;4-[2-cyclopropyl-5-[4-fluoro-3-(1,1,2,2,2-pentafluoroethyl)phenyl]-3aH-pyrazolo[1,5-c]pyrimidin-8-ium-3-yl]-3,5-difluorophenol;3,5-difluoro-4-[5-[4-fluoro-3-(trifluoromethyl)phenyl]-2-propan-2-ylpyrazolo[1,5-c]pyrimidin-3-yl]phenol;4-[2-ethyl-6-[4-fluoro-3-(1,1,2,2,2-pentafluoroethyl)phenyl]imidazo[1,2-a]pyrazin-3-yl]-3,5-difluorophenol;4-[2-ethyl-5-[4-fluoro-3-(trifluoromethyl)phenyl]pyrazolo[1,5-c]pyrimidin-3-yl]-3,5-difluorophenol;3-fluoro-5-methyl-4-[2-methyl-6-[3-(1,1,2,2,2-pentafluoroethyl)phenyl]imidazo[1,2-a]pyrazin-3-yl]phenol?

The IUPAC name of [3-[2-cyclopropyl-3-(4-fluoro-1H-indazol-5-yl)imidazo[1,2-a]pyrazin-6-yl]phenyl]-pentafluoro-λ6-sulfane;4-[2-cyclopropyl-5-[4-fluoro-3-(1,1,2,2,2-pentafluoroethyl)phenyl]-3aH-pyrazolo[1,5-c]pyrimidin-8-ium-3-yl]-3,5-difluorophenol;3,5-difluoro-4-[5-[4-fluoro-3-(trifluoromethyl)phenyl]-2-propan-2-ylpyrazolo[1,5-c]pyrimidin-3-yl]phenol;4-[2-ethyl-6-[4-fluoro-3-(1,1,2,2,2-pentafluoroethyl)phenyl]imidazo[1,2-a]pyrazin-3-yl]-3,5-difluorophenol;4-[2-ethyl-5-[4-fluoro-3-(trifluoromethyl)phenyl]pyrazolo[1,5-c]pyrimidin-3-yl]-3,5-difluorophenol;3-fluoro-5-methyl-4-[2-methyl-6-[3-(1,1,2,2,2-pentafluoroethyl)phenyl]imidazo[1,2-a]pyrazin-3-yl]phenol (CID 160542122) is [3-[2-cyclopropyl-3-(4-fluoro-1H-indazol-5-yl)imidazo[1,2-a]pyrazin-6-yl]phenyl]-pentafluoro-λ6-sulfane;4-[2-cyclopropyl-5-[4-fluoro-3-(1,1,2,2,2-pentafluoroethyl)phenyl]-3aH-pyrazolo[1,5-c]pyrimidin-8-ium-3-yl]-3,5-difluorophenol;3,5-difluoro-4-[5-[4-fluoro-3-(trifluoromethyl)phenyl]-2-propan-2-ylpyrazolo[1,5-c]pyrimidin-3-yl]phenol;4-[2-ethyl-6-[4-fluoro-3-(1,1,2,2,2-pentafluoroethyl)phenyl]imidazo[1,2-a]pyrazin-3-yl]-3,5-difluorophenol;4-[2-ethyl-5-[4-fluoro-3-(trifluoromethyl)phenyl]pyrazolo[1,5-c]pyrimidin-3-yl]-3,5-difluorophenol;3-fluoro-5-methyl-4-[2-methyl-6-[3-(1,1,2,2,2-pentafluoroethyl)phenyl]imidazo[1,2-a]pyrazin-3-yl]phenol.

What is the SMILES notation for [3-[2-cyclopropyl-3-(4-fluoro-1H-indazol-5-yl)imidazo[1,2-a]pyrazin-6-yl]phenyl]-pentafluoro-λ6-sulfane;4-[2-cyclopropyl-5-[4-fluoro-3-(1,1,2,2,2-pentafluoroethyl)phenyl]-3aH-pyrazolo[1,5-c]pyrimidin-8-ium-3-yl]-3,5-difluorophenol;3,5-difluoro-4-[5-[4-fluoro-3-(trifluoromethyl)phenyl]-2-propan-2-ylpyrazolo[1,5-c]pyrimidin-3-yl]phenol;4-[2-ethyl-6-[4-fluoro-3-(1,1,2,2,2-pentafluoroethyl)phenyl]imidazo[1,2-a]pyrazin-3-yl]-3,5-difluorophenol;4-[2-ethyl-5-[4-fluoro-3-(trifluoromethyl)phenyl]pyrazolo[1,5-c]pyrimidin-3-yl]-3,5-difluorophenol;3-fluoro-5-methyl-4-[2-methyl-6-[3-(1,1,2,2,2-pentafluoroethyl)phenyl]imidazo[1,2-a]pyrazin-3-yl]phenol?

The canonical SMILES for [3-[2-cyclopropyl-3-(4-fluoro-1H-indazol-5-yl)imidazo[1,2-a]pyrazin-6-yl]phenyl]-pentafluoro-λ6-sulfane;4-[2-cyclopropyl-5-[4-fluoro-3-(1,1,2,2,2-pentafluoroethyl)phenyl]-3aH-pyrazolo[1,5-c]pyrimidin-8-ium-3-yl]-3,5-difluorophenol;3,5-difluoro-4-[5-[4-fluoro-3-(trifluoromethyl)phenyl]-2-propan-2-ylpyrazolo[1,5-c]pyrimidin-3-yl]phenol;4-[2-ethyl-6-[4-fluoro-3-(1,1,2,2,2-pentafluoroethyl)phenyl]imidazo[1,2-a]pyrazin-3-yl]-3,5-difluorophenol;4-[2-ethyl-5-[4-fluoro-3-(trifluoromethyl)phenyl]pyrazolo[1,5-c]pyrimidin-3-yl]-3,5-difluorophenol;3-fluoro-5-methyl-4-[2-methyl-6-[3-(1,1,2,2,2-pentafluoroethyl)phenyl]imidazo[1,2-a]pyrazin-3-yl]phenol is CC(C)c1nn2cnc(-c3ccc(F)c(C(F)(F)F)c3)cc2c1-c1c(F)cc(O)cc1F.CCc1nc2cnc(-c3ccc(F)c(C(F)(F)C(F)(F)F)c3)cn2c1-c1c(F)cc(O)cc1F.CCc1nn2cnc(-c3ccc(F)c(C(F)(F)F)c3)cc2c1-c1c(F)cc(O)cc1F.Cc1cc(O)cc(F)c1-c1c(C)nc2cnc(-c3cccc(C(F)(F)C(F)(F)F)c3)cn12.Fc1c(-c2c(C3CC3)nc3cnc(-c4cccc(S(F)(F)(F)(F)F)c4)cn23)ccc2[nH]ncc12.Oc1cc(F)c(C2=C(C3CC3)N=[N+]3C=NC(c4ccc(F)c(C(F)(F)C(F)(F)F)c4)=CC23)c(F)c1.

What is the InChIKey of [3-[2-cyclopropyl-3-(4-fluoro-1H-indazol-5-yl)imidazo[1,2-a]pyrazin-6-yl]phenyl]-pentafluoro-λ6-sulfane;4-[2-cyclopropyl-5-[4-fluoro-3-(1,1,2,2,2-pentafluoroethyl)phenyl]-3aH-pyrazolo[1,5-c]pyrimidin-8-ium-3-yl]-3,5-difluorophenol;3,5-difluoro-4-[5-[4-fluoro-3-(trifluoromethyl)phenyl]-2-propan-2-ylpyrazolo[1,5-c]pyrimidin-3-yl]phenol;4-[2-ethyl-6-[4-fluoro-3-(1,1,2,2,2-pentafluoroethyl)phenyl]imidazo[1,2-a]pyrazin-3-yl]-3,5-difluorophenol;4-[2-ethyl-5-[4-fluoro-3-(trifluoromethyl)phenyl]pyrazolo[1,5-c]pyrimidin-3-yl]-3,5-difluorophenol;3-fluoro-5-methyl-4-[2-methyl-6-[3-(1,1,2,2,2-pentafluoroethyl)phenyl]imidazo[1,2-a]pyrazin-3-yl]phenol?

The InChIKey is WWWQAQYWXXMRRS-UHFFFAOYSA-O. The full InChI is InChI=1S/C23H13F8N3O.C22H13F8N3O.C22H15F6N5S.2C22H15F6N3O.C21H13F6N3O/c24-14-4-3-11(5-13(14)22(27,28)23(29,30)31)17-8-18-20(19-15(25)6-12(35)7-16(19)26)21(10-1-2-10)33-34(18)9-32-17;1-2-16-20(19-14(24)6-11(34)7-15(19)25)33-9-17(31-8-18(33)32-16)10-3-4-13(23)12(5-10)21(26,27)22(28,29)30;23-20-15(6-7-17-16(20)9-30-32-17)22-21(12-4-5-12)31-19-10-29-18(11-33(19)22)13-2-1-3-14(8-13)34(24,25,26,27)28;1-10(2)21-20(19-15(24)6-12(32)7-16(19)25)18-8-17(29-9-31(18)30-21)11-3-4-14(23)13(5-11)22(26,27)28;1-11-6-15(32)8-16(23)19(11)20-12(2)30-18-9-29-17(10-31(18)20)13-4-3-5-14(7-13)21(24,25)22(26,27)28;1-2-16-20(19-14(23)6-11(31)7-15(19)24)18-8-17(28-9-30(18)29-16)10-3-4-13(22)12(5-10)21(25,26)27/h3-10,18H,1-2H2;3-9,34H,2H2,1H3;1-3,6-12H,4-5H2,(H,30,32);2*3-10,32H,1-2H3;3-9,31H,2H2,1H3/p+1.

What are the key properties of [3-[2-cyclopropyl-3-(4-fluoro-1H-indazol-5-yl)imidazo[1,2-a]pyrazin-6-yl]phenyl]-pentafluoro-λ6-sulfane;4-[2-cyclopropyl-5-[4-fluoro-3-(1,1,2,2,2-pentafluoroethyl)phenyl]-3aH-pyrazolo[1,5-c]pyrimidin-8-ium-3-yl]-3,5-difluorophenol;3,5-difluoro-4-[5-[4-fluoro-3-(trifluoromethyl)phenyl]-2-propan-2-ylpyrazolo[1,5-c]pyrimidin-3-yl]phenol;4-[2-ethyl-6-[4-fluoro-3-(1,1,2,2,2-pentafluoroethyl)phenyl]imidazo[1,2-a]pyrazin-3-yl]-3,5-difluorophenol;4-[2-ethyl-5-[4-fluoro-3-(trifluoromethyl)phenyl]pyrazolo[1,5-c]pyrimidin-3-yl]-3,5-difluorophenol;3-fluoro-5-methyl-4-[2-methyl-6-[3-(1,1,2,2,2-pentafluoroethyl)phenyl]imidazo[1,2-a]pyrazin-3-yl]phenol?

[3-[2-cyclopropyl-3-(4-fluoro-1H-indazol-5-yl)imidazo[1,2-a]pyrazin-6-yl]phenyl]-pentafluoro-λ6-sulfane;4-[2-cyclopropyl-5-[4-fluoro-3-(1,1,2,2,2-pentafluoroethyl)phenyl]-3aH-pyrazolo[1,5-c]pyrimidin-8-ium-3-yl]-3,5-difluorophenol;3,5-difluoro-4-[5-[4-fluoro-3-(trifluoromethyl)phenyl]-2-propan-2-ylpyrazolo[1,5-c]pyrimidin-3-yl]phenol;4-[2-ethyl-6-[4-fluoro-3-(1,1,2,2,2-pentafluoroethyl)phenyl]imidazo[1,2-a]pyrazin-3-yl]-3,5-difluorophenol;4-[2-ethyl-5-[4-fluoro-3-(trifluoromethyl)phenyl]pyrazolo[1,5-c]pyrimidin-3-yl]-3,5-difluorophenol;3-fluoro-5-methyl-4-[2-methyl-6-[3-(1,1,2,2,2-pentafluoroethyl)phenyl]imidazo[1,2-a]pyrazin-3-yl]phenol has a molecular weight of 2823.25 g/mol, XLogP of 38.81, 21 rotatable bonds, 6 hydrogen bond donors, and 23 hydrogen bond acceptors.

Where does this data come from?

All data for [3-[2-cyclopropyl-3-(4-fluoro-1H-indazol-5-yl)imidazo[1,2-a]pyrazin-6-yl]phenyl]-pentafluoro-λ6-sulfane;4-[2-cyclopropyl-5-[4-fluoro-3-(1,1,2,2,2-pentafluoroethyl)phenyl]-3aH-pyrazolo[1,5-c]pyrimidin-8-ium-3-yl]-3,5-difluorophenol;3,5-difluoro-4-[5-[4-fluoro-3-(trifluoromethyl)phenyl]-2-propan-2-ylpyrazolo[1,5-c]pyrimidin-3-yl]phenol;4-[2-ethyl-6-[4-fluoro-3-(1,1,2,2,2-pentafluoroethyl)phenyl]imidazo[1,2-a]pyrazin-3-yl]-3,5-difluorophenol;4-[2-ethyl-5-[4-fluoro-3-(trifluoromethyl)phenyl]pyrazolo[1,5-c]pyrimidin-3-yl]-3,5-difluorophenol;3-fluoro-5-methyl-4-[2-methyl-6-[3-(1,1,2,2,2-pentafluoroethyl)phenyl]imidazo[1,2-a]pyrazin-3-yl]phenol is sourced from PubChem (CID 160542122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).