[5-[2-cyclopropyl-3-(2,6-difluoro-4-methylphenyl)imidazo[1,2-a]pyrazin-6-yl]-2-fluorophenyl]-pentafluoro-λ6-sulfane;2-cyclopropyl-3-(4-fluoro-1H-indazol-5-yl)-5-[4-fluoro-3-(1,1,2,2,2-pentafluoroethyl)phenyl]pyrazolo[1,5-c]pyrimidine;[5-[2-cyclopropyl-3-(4-fluoro-1H-indol-5-yl)imidazo[1,2-a]pyrazin-6-yl]-2-fluorophenyl]-pentafluoro-λ6-sulfane;4-[2-cyclopropyl-5-[4-fluoro-3-(trifluoromethyl)phenyl]pyrazolo[1,5-c]pyrimidin-3-yl]-3,5-difluorophenol;3-(4-fluoro-1H-indazol-5-yl)-5-[4-fluoro-3-(1,1,2,2,2-pentafluoroethyl)phenyl]-2-propan-2-ylpyrazolo[1,5-c]pyrimidine;3-(4-fluoro-1H-indazol-5-yl)-5-[4-fluoro-3-(trifluoromethyl)phenyl]-2-propan-2-ylpyrazolo[1,5-c]pyrimidine

C138H89F40N25OS2 — CID 159612349

IUPAC[5-[2-cyclopropyl-3-(2,6-difluoro-4-methylphenyl)imidazo[1,2-a]pyrazin-6-yl]-2-fluorophenyl]-pentafluoro-λ6-sulfane;2-cyclopropyl-3-(4-fluoro-1H-indazol-5-yl)-5-[4-fluoro-3-(1,1,2,2,2-pentafluoroethyl)phenyl]pyrazolo[1,5-c]pyrimidine;[5-[2-cyclopropyl-3-(4-fluoro-1H-indol-5-yl)imidazo[1,2-a]pyrazin-6-yl]-2-fluorophenyl]-pentafluoro-λ6-sulfane;4-[2-cyclopropyl-5-[4-fluoro-3-(trifluoromethyl)phenyl]pyrazolo[1,5-c]pyrimidin-3-yl]-3,5-difluorophenol;3-(4-fluoro-1H-indazol-5-yl)-5-[4-fluoro-3-(1,1,2,2,2-pentafluoroethyl)phenyl]-2-propan-2-ylpyrazolo[1,5-c]pyrimidine;3-(4-fluoro-1H-indazol-5-yl)-5-[4-fluoro-3-(trifluoromethyl)phenyl]-2-propan-2-ylpyrazolo[1,5-c]pyrimidine
SMILESCC(C)c1nn2cnc(-c3ccc(F)c(C(F)(F)C(F)(F)F)c3)cc2c1-c1ccc2[nH]ncc2c1F.CC(C)c1nn2cnc(-c3ccc(F)c(C(F)(F)F)c3)cc2c1-c1ccc2[nH]ncc2c1F.Cc1cc(F)c(-c2c(C3CC3)nc3cnc(-c4ccc(F)c(S(F)(F)(F)(F)F)c4)cn23)c(F)c1.Fc1ccc(-c2cc3c(-c4ccc5[nH]ncc5c4F)c(C4CC4)nn3cn2)cc1C(F)(F)C(F)(F)F.Fc1ccc(-c2cn3c(-c4ccc5[nH]ccc5c4F)c(C4CC4)nc3cn2)cc1S(F)(F)(F)(F)F.Oc1cc(F)c(-c2c(C3CC3)nn3cnc(-c4ccc(F)c(C(F)(F)F)c4)cc23)c(F)c1
InChIInChI=1S/C24H14F7N5.C24H16F7N5.C23H15F7N4S.C23H16F5N5.C22H15F8N3S.C22H13F6N3O/c25-16-5-3-12(7-15(16)23(27,28)24(29,30)31)18-8-19-20(22(11-1-2-11)35-36(19)10-32-18)13-4-6-17-14(21(13)26)9-33-34-17;1-11(2)22-20(13-4-6-17-14(21(13)26)9-33-34-17)19-8-18(32-10-36(19)35-22)12-3-5-16(25)15(7-12)23(27,28)24(29,30)31;24-16-5-3-13(9-19(16)35(26,27,28,29)30)18-11-34-20(10-32-18)33-22(12-1-2-12)23(34)15-4-6-17-14(21(15)25)7-8-31-17;1-11(2)22-20(13-4-6-17-14(21(13)25)9-30-31-17)19-8-18(29-10-33(19)32-22)12-3-5-16(24)15(7-12)23(26,27)28;1-11-6-15(24)20(16(25)7-11)22-21(12-2-3-12)32-19-9-31-17(10-33(19)22)13-4-5-14(23)18(8-13)34(26,27,28,29)30;23-14-4-3-11(5-13(14)22(26,27)28)17-8-18-20(19-15(24)6-12(32)7-16(19)25)21(10-1-2-10)30-31(18)9-29-17/h3-11H,1-2H2,(H,33,34);3-11H,1-2H3,(H,33,34);3-12,31H,1-2H2;3-11H,1-2H3,(H,30,31);4-10,12H,2-3H2,1H3;3-10,32H,1-2H2
InChIKeyMMVYADBXORLWTI-UHFFFAOYSA-N
MW2937.46 g/mol
LogP42.87
Rot. Bonds22

About [5-[2-cyclopropyl-3-(2,6-difluoro-4-methylphenyl)imidazo[1,2-a]pyrazin-6-yl]-2-fluorophenyl]-pentafluoro-λ6-sulfane;2-cyclopropyl-3-(4-fluoro-1H-indazol-5-yl)-5-[4-fluoro-3-(1,1,2,2,2-pentafluoroethyl)phenyl]pyrazolo[1,5-c]pyrimidine;[5-[2-cyclopropyl-3-(4-fluoro-1H-indol-5-yl)imidazo[1,2-a]pyrazin-6-yl]-2-fluorophenyl]-pentafluoro-λ6-sulfane;4-[2-cyclopropyl-5-[4-fluoro-3-(trifluoromethyl)phenyl]pyrazolo[1,5-c]pyrimidin-3-yl]-3,5-difluorophenol;3-(4-fluoro-1H-indazol-5-yl)-5-[4-fluoro-3-(1,1,2,2,2-pentafluoroethyl)phenyl]-2-propan-2-ylpyrazolo[1,5-c]pyrimidine;3-(4-fluoro-1H-indazol-5-yl)-5-[4-fluoro-3-(trifluoromethyl)phenyl]-2-propan-2-ylpyrazolo[1,5-c]pyrimidine

[5-[2-cyclopropyl-3-(2,6-difluoro-4-methylphenyl)imidazo[1,2-a]pyrazin-6-yl]-2-fluorophenyl]-pentafluoro-λ6-sulfane;2-cyclopropyl-3-(4-fluoro-1H-indazol-5-yl)-5-[4-fluoro-3-(1,1,2,2,2-pentafluoroethyl)phenyl]pyrazolo[1,5-c]pyrimidine;[5-[2-cyclopropyl-3-(4-fluoro-1H-indol-5-yl)imidazo[1,2-a]pyrazin-6-yl]-2-fluorophenyl]-pentafluoro-λ6-sulfane;4-[2-cyclopropyl-5-[4-fluoro-3-(trifluoromethyl)phenyl]pyrazolo[1,5-c]pyrimidin-3-yl]-3,5-difluorophenol;3-(4-fluoro-1H-indazol-5-yl)-5-[4-fluoro-3-(1,1,2,2,2-pentafluoroethyl)phenyl]-2-propan-2-ylpyrazolo[1,5-c]pyrimidine;3-(4-fluoro-1H-indazol-5-yl)-5-[4-fluoro-3-(trifluoromethyl)phenyl]-2-propan-2-ylpyrazolo[1,5-c]pyrimidine (PubChem CID 159612349) has the molecular formula C138H89F40N25OS2 and a molecular weight of 2937.46 g/mol. Its IUPAC name is [5-[2-cyclopropyl-3-(2,6-difluoro-4-methylphenyl)imidazo[1,2-a]pyrazin-6-yl]-2-fluorophenyl]-pentafluoro-λ6-sulfane;2-cyclopropyl-3-(4-fluoro-1H-indazol-5-yl)-5-[4-fluoro-3-(1,1,2,2,2-pentafluoroethyl)phenyl]pyrazolo[1,5-c]pyrimidine;[5-[2-cyclopropyl-3-(4-fluoro-1H-indol-5-yl)imidazo[1,2-a]pyrazin-6-yl]-2-fluorophenyl]-pentafluoro-λ6-sulfane;4-[2-cyclopropyl-5-[4-fluoro-3-(trifluoromethyl)phenyl]pyrazolo[1,5-c]pyrimidin-3-yl]-3,5-difluorophenol;3-(4-fluoro-1H-indazol-5-yl)-5-[4-fluoro-3-(1,1,2,2,2-pentafluoroethyl)phenyl]-2-propan-2-ylpyrazolo[1,5-c]pyrimidine;3-(4-fluoro-1H-indazol-5-yl)-5-[4-fluoro-3-(trifluoromethyl)phenyl]-2-propan-2-ylpyrazolo[1,5-c]pyrimidine.

Molecular Properties

Compound Name[5-[2-cyclopropyl-3-(2,6-difluoro-4-methylphenyl)imidazo[1,2-a]pyrazin-6-yl]-2-fluorophenyl]-pentafluoro-λ6-sulfane;2-cyclopropyl-3-(4-fluoro-1H-indazol-5-yl)-5-[4-fluoro-3-(1,1,2,2,2-pentafluoroethyl)phenyl]pyrazolo[1,5-c]pyrimidine;[5-[2-cyclopropyl-3-(4-fluoro-1H-indol-5-yl)imidazo[1,2-a]pyrazin-6-yl]-2-fluorophenyl]-pentafluoro-λ6-sulfane;4-[2-cyclopropyl-5-[4-fluoro-3-(trifluoromethyl)phenyl]pyrazolo[1,5-c]pyrimidin-3-yl]-3,5-difluorophenol;3-(4-fluoro-1H-indazol-5-yl)-5-[4-fluoro-3-(1,1,2,2,2-pentafluoroethyl)phenyl]-2-propan-2-ylpyrazolo[1,5-c]pyrimidine;3-(4-fluoro-1H-indazol-5-yl)-5-[4-fluoro-3-(trifluoromethyl)phenyl]-2-propan-2-ylpyrazolo[1,5-c]pyrimidine
PubChem CID159612349
Molecular FormulaC138H89F40N25OS2
Molecular Weight2937.46 g/mol
Exact Mass2935.65
IUPAC Name[5-[2-cyclopropyl-3-(2,6-difluoro-4-methylphenyl)imidazo[1,2-a]pyrazin-6-yl]-2-fluorophenyl]-pentafluoro-λ6-sulfane;2-cyclopropyl-3-(4-fluoro-1H-indazol-5-yl)-5-[4-fluoro-3-(1,1,2,2,2-pentafluoroethyl)phenyl]pyrazolo[1,5-c]pyrimidine;[5-[2-cyclopropyl-3-(4-fluoro-1H-indol-5-yl)imidazo[1,2-a]pyrazin-6-yl]-2-fluorophenyl]-pentafluoro-λ6-sulfane;4-[2-cyclopropyl-5-[4-fluoro-3-(trifluoromethyl)phenyl]pyrazolo[1,5-c]pyrimidin-3-yl]-3,5-difluorophenol;3-(4-fluoro-1H-indazol-5-yl)-5-[4-fluoro-3-(1,1,2,2,2-pentafluoroethyl)phenyl]-2-propan-2-ylpyrazolo[1,5-c]pyrimidine;3-(4-fluoro-1H-indazol-5-yl)-5-[4-fluoro-3-(trifluoromethyl)phenyl]-2-propan-2-ylpyrazolo[1,5-c]pyrimidine
SMILESCC(C)c1nn2cnc(-c3ccc(F)c(C(F)(F)C(F)(F)F)c3)cc2c1-c1ccc2[nH]ncc2c1F.CC(C)c1nn2cnc(-c3ccc(F)c(C(F)(F)F)c3)cc2c1-c1ccc2[nH]ncc2c1F.Cc1cc(F)c(-c2c(C3CC3)nc3cnc(-c4ccc(F)c(S(F)(F)(F)(F)F)c4)cn23)c(F)c1.Fc1ccc(-c2cc3c(-c4ccc5[nH]ncc5c4F)c(C4CC4)nn3cn2)cc1C(F)(F)C(F)(F)F.Fc1ccc(-c2cn3c(-c4ccc5[nH]ccc5c4F)c(C4CC4)nc3cn2)cc1S(F)(F)(F)(F)F.Oc1cc(F)c(-c2c(C3CC3)nn3cnc(-c4ccc(F)c(C(F)(F)F)c4)cc23)c(F)c1
InChIInChI=1S/C24H14F7N5.C24H16F7N5.C23H15F7N4S.C23H16F5N5.C22H15F8N3S.C22H13F6N3O/c25-16-5-3-12(7-15(16)23(27,28)24(29,30)31)18-8-19-20(22(11-1-2-11)35-36(19)10-32-18)13-4-6-17-14(21(13)26)9-33-34-17;1-11(2)22-20(13-4-6-17-14(21(13)26)9-33-34-17)19-8-18(32-10-36(19)35-22)12-3-5-16(25)15(7-12)23(27,28)24(29,30)31;24-16-5-3-13(9-19(16)35(26,27,28,29)30)18-11-34-20(10-32-18)33-22(12-1-2-12)23(34)15-4-6-17-14(21(15)25)7-8-31-17;1-11(2)22-20(13-4-6-17-14(21(13)25)9-30-31-17)19-8-18(29-10-33(19)32-22)12-3-5-16(24)15(7-12)23(26,27)28;1-11-6-15(24)20(16(25)7-11)22-21(12-2-3-12)32-19-9-31-17(10-33(19)22)13-4-5-14(23)18(8-13)34(26,27,28,29)30;23-14-4-3-11(5-13(14)22(26,27)28)17-8-18-20(19-15(24)6-12(32)7-16(19)25)21(10-1-2-10)30-31(18)9-29-17/h3-11H,1-2H2,(H,33,34);3-11H,1-2H3,(H,33,34);3-12,31H,1-2H2;3-11H,1-2H3,(H,30,31);4-10,12H,2-3H2,1H3;3-10,32H,1-2H2
InChIKeyMMVYADBXORLWTI-UHFFFAOYSA-N
XLogP42.87
TPSA303.20 Ų
H-Bond Donors5
H-Bond Acceptors22
Rotatable Bonds22
Heavy Atoms206
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002937.46
LogP ≤ 542.87
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1022

Computed Properties (RDKit)

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

Analyze [5-[2-cyclopropyl-3-(2,6-difluoro-4-methylphenyl)imidazo[1,2-a]pyrazin-6-yl]-2-fluorophenyl]-pentafluoro-λ6-sulfane;2-cyclopropyl-3-(4-fluoro-1H-indazol-5-yl)-5-[4-fluoro-3-(1,1,2,2,2-pentafluoroethyl)phenyl]pyrazolo[1,5-c]pyrimidine;[5-[2-cyclopropyl-3-(4-fluoro-1H-indol-5-yl)imidazo[1,2-a]pyrazin-6-yl]-2-fluorophenyl]-pentafluoro-λ6-sulfane;4-[2-cyclopropyl-5-[4-fluoro-3-(trifluoromethyl)phenyl]pyrazolo[1,5-c]pyrimidin-3-yl]-3,5-difluorophenol;3-(4-fluoro-1H-indazol-5-yl)-5-[4-fluoro-3-(1,1,2,2,2-pentafluoroethyl)phenyl]-2-propan-2-ylpyrazolo[1,5-c]pyrimidine;3-(4-fluoro-1H-indazol-5-yl)-5-[4-fluoro-3-(trifluoromethyl)phenyl]-2-propan-2-ylpyrazolo[1,5-c]pyrimidine with MolForge

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Frequently Asked Questions

What is the IUPAC name of [5-[2-cyclopropyl-3-(2,6-difluoro-4-methylphenyl)imidazo[1,2-a]pyrazin-6-yl]-2-fluorophenyl]-pentafluoro-λ6-sulfane;2-cyclopropyl-3-(4-fluoro-1H-indazol-5-yl)-5-[4-fluoro-3-(1,1,2,2,2-pentafluoroethyl)phenyl]pyrazolo[1,5-c]pyrimidine;[5-[2-cyclopropyl-3-(4-fluoro-1H-indol-5-yl)imidazo[1,2-a]pyrazin-6-yl]-2-fluorophenyl]-pentafluoro-λ6-sulfane;4-[2-cyclopropyl-5-[4-fluoro-3-(trifluoromethyl)phenyl]pyrazolo[1,5-c]pyrimidin-3-yl]-3,5-difluorophenol;3-(4-fluoro-1H-indazol-5-yl)-5-[4-fluoro-3-(1,1,2,2,2-pentafluoroethyl)phenyl]-2-propan-2-ylpyrazolo[1,5-c]pyrimidine;3-(4-fluoro-1H-indazol-5-yl)-5-[4-fluoro-3-(trifluoromethyl)phenyl]-2-propan-2-ylpyrazolo[1,5-c]pyrimidine?
The IUPAC name of [5-[2-cyclopropyl-3-(2,6-difluoro-4-methylphenyl)imidazo[1,2-a]pyrazin-6-yl]-2-fluorophenyl]-pentafluoro-λ6-sulfane;2-cyclopropyl-3-(4-fluoro-1H-indazol-5-yl)-5-[4-fluoro-3-(1,1,2,2,2-pentafluoroethyl)phenyl]pyrazolo[1,5-c]pyrimidine;[5-[2-cyclopropyl-3-(4-fluoro-1H-indol-5-yl)imidazo[1,2-a]pyrazin-6-yl]-2-fluorophenyl]-pentafluoro-λ6-sulfane;4-[2-cyclopropyl-5-[4-fluoro-3-(trifluoromethyl)phenyl]pyrazolo[1,5-c]pyrimidin-3-yl]-3,5-difluorophenol;3-(4-fluoro-1H-indazol-5-yl)-5-[4-fluoro-3-(1,1,2,2,2-pentafluoroethyl)phenyl]-2-propan-2-ylpyrazolo[1,5-c]pyrimidine;3-(4-fluoro-1H-indazol-5-yl)-5-[4-fluoro-3-(trifluoromethyl)phenyl]-2-propan-2-ylpyrazolo[1,5-c]pyrimidine (CID 159612349) is [5-[2-cyclopropyl-3-(2,6-difluoro-4-methylphenyl)imidazo[1,2-a]pyrazin-6-yl]-2-fluorophenyl]-pentafluoro-λ6-sulfane;2-cyclopropyl-3-(4-fluoro-1H-indazol-5-yl)-5-[4-fluoro-3-(1,1,2,2,2-pentafluoroethyl)phenyl]pyrazolo[1,5-c]pyrimidine;[5-[2-cyclopropyl-3-(4-fluoro-1H-indol-5-yl)imidazo[1,2-a]pyrazin-6-yl]-2-fluorophenyl]-pentafluoro-λ6-sulfane;4-[2-cyclopropyl-5-[4-fluoro-3-(trifluoromethyl)phenyl]pyrazolo[1,5-c]pyrimidin-3-yl]-3,5-difluorophenol;3-(4-fluoro-1H-indazol-5-yl)-5-[4-fluoro-3-(1,1,2,2,2-pentafluoroethyl)phenyl]-2-propan-2-ylpyrazolo[1,5-c]pyrimidine;3-(4-fluoro-1H-indazol-5-yl)-5-[4-fluoro-3-(trifluoromethyl)phenyl]-2-propan-2-ylpyrazolo[1,5-c]pyrimidine.
What is the SMILES notation for [5-[2-cyclopropyl-3-(2,6-difluoro-4-methylphenyl)imidazo[1,2-a]pyrazin-6-yl]-2-fluorophenyl]-pentafluoro-λ6-sulfane;2-cyclopropyl-3-(4-fluoro-1H-indazol-5-yl)-5-[4-fluoro-3-(1,1,2,2,2-pentafluoroethyl)phenyl]pyrazolo[1,5-c]pyrimidine;[5-[2-cyclopropyl-3-(4-fluoro-1H-indol-5-yl)imidazo[1,2-a]pyrazin-6-yl]-2-fluorophenyl]-pentafluoro-λ6-sulfane;4-[2-cyclopropyl-5-[4-fluoro-3-(trifluoromethyl)phenyl]pyrazolo[1,5-c]pyrimidin-3-yl]-3,5-difluorophenol;3-(4-fluoro-1H-indazol-5-yl)-5-[4-fluoro-3-(1,1,2,2,2-pentafluoroethyl)phenyl]-2-propan-2-ylpyrazolo[1,5-c]pyrimidine;3-(4-fluoro-1H-indazol-5-yl)-5-[4-fluoro-3-(trifluoromethyl)phenyl]-2-propan-2-ylpyrazolo[1,5-c]pyrimidine?
The canonical SMILES for [5-[2-cyclopropyl-3-(2,6-difluoro-4-methylphenyl)imidazo[1,2-a]pyrazin-6-yl]-2-fluorophenyl]-pentafluoro-λ6-sulfane;2-cyclopropyl-3-(4-fluoro-1H-indazol-5-yl)-5-[4-fluoro-3-(1,1,2,2,2-pentafluoroethyl)phenyl]pyrazolo[1,5-c]pyrimidine;[5-[2-cyclopropyl-3-(4-fluoro-1H-indol-5-yl)imidazo[1,2-a]pyrazin-6-yl]-2-fluorophenyl]-pentafluoro-λ6-sulfane;4-[2-cyclopropyl-5-[4-fluoro-3-(trifluoromethyl)phenyl]pyrazolo[1,5-c]pyrimidin-3-yl]-3,5-difluorophenol;3-(4-fluoro-1H-indazol-5-yl)-5-[4-fluoro-3-(1,1,2,2,2-pentafluoroethyl)phenyl]-2-propan-2-ylpyrazolo[1,5-c]pyrimidine;3-(4-fluoro-1H-indazol-5-yl)-5-[4-fluoro-3-(trifluoromethyl)phenyl]-2-propan-2-ylpyrazolo[1,5-c]pyrimidine is CC(C)c1nn2cnc(-c3ccc(F)c(C(F)(F)C(F)(F)F)c3)cc2c1-c1ccc2[nH]ncc2c1F.CC(C)c1nn2cnc(-c3ccc(F)c(C(F)(F)F)c3)cc2c1-c1ccc2[nH]ncc2c1F.Cc1cc(F)c(-c2c(C3CC3)nc3cnc(-c4ccc(F)c(S(F)(F)(F)(F)F)c4)cn23)c(F)c1.Fc1ccc(-c2cc3c(-c4ccc5[nH]ncc5c4F)c(C4CC4)nn3cn2)cc1C(F)(F)C(F)(F)F.Fc1ccc(-c2cn3c(-c4ccc5[nH]ccc5c4F)c(C4CC4)nc3cn2)cc1S(F)(F)(F)(F)F.Oc1cc(F)c(-c2c(C3CC3)nn3cnc(-c4ccc(F)c(C(F)(F)F)c4)cc23)c(F)c1.
What is the InChIKey of [5-[2-cyclopropyl-3-(2,6-difluoro-4-methylphenyl)imidazo[1,2-a]pyrazin-6-yl]-2-fluorophenyl]-pentafluoro-λ6-sulfane;2-cyclopropyl-3-(4-fluoro-1H-indazol-5-yl)-5-[4-fluoro-3-(1,1,2,2,2-pentafluoroethyl)phenyl]pyrazolo[1,5-c]pyrimidine;[5-[2-cyclopropyl-3-(4-fluoro-1H-indol-5-yl)imidazo[1,2-a]pyrazin-6-yl]-2-fluorophenyl]-pentafluoro-λ6-sulfane;4-[2-cyclopropyl-5-[4-fluoro-3-(trifluoromethyl)phenyl]pyrazolo[1,5-c]pyrimidin-3-yl]-3,5-difluorophenol;3-(4-fluoro-1H-indazol-5-yl)-5-[4-fluoro-3-(1,1,2,2,2-pentafluoroethyl)phenyl]-2-propan-2-ylpyrazolo[1,5-c]pyrimidine;3-(4-fluoro-1H-indazol-5-yl)-5-[4-fluoro-3-(trifluoromethyl)phenyl]-2-propan-2-ylpyrazolo[1,5-c]pyrimidine?
The InChIKey is MMVYADBXORLWTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H14F7N5.C24H16F7N5.C23H15F7N4S.C23H16F5N5.C22H15F8N3S.C22H13F6N3O/c25-16-5-3-12(7-15(16)23(27,28)24(29,30)31)18-8-19-20(22(11-1-2-11)35-36(19)10-32-18)13-4-6-17-14(21(13)26)9-33-34-17;1-11(2)22-20(13-4-6-17-14(21(13)26)9-33-34-17)19-8-18(32-10-36(19)35-22)12-3-5-16(25)15(7-12)23(27,28)24(29,30)31;24-16-5-3-13(9-19(16)35(26,27,28,29)30)18-11-34-20(10-32-18)33-22(12-1-2-12)23(34)15-4-6-17-14(21(15)25)7-8-31-17;1-11(2)22-20(13-4-6-17-14(21(13)25)9-30-31-17)19-8-18(29-10-33(19)32-22)12-3-5-16(24)15(7-12)23(26,27)28;1-11-6-15(24)20(16(25)7-11)22-21(12-2-3-12)32-19-9-31-17(10-33(19)22)13-4-5-14(23)18(8-13)34(26,27,28,29)30;23-14-4-3-11(5-13(14)22(26,27)28)17-8-18-20(19-15(24)6-12(32)7-16(19)25)21(10-1-2-10)30-31(18)9-29-17/h3-11H,1-2H2,(H,33,34);3-11H,1-2H3,(H,33,34);3-12,31H,1-2H2;3-11H,1-2H3,(H,30,31);4-10,12H,2-3H2,1H3;3-10,32H,1-2H2.
What are the key properties of [5-[2-cyclopropyl-3-(2,6-difluoro-4-methylphenyl)imidazo[1,2-a]pyrazin-6-yl]-2-fluorophenyl]-pentafluoro-λ6-sulfane;2-cyclopropyl-3-(4-fluoro-1H-indazol-5-yl)-5-[4-fluoro-3-(1,1,2,2,2-pentafluoroethyl)phenyl]pyrazolo[1,5-c]pyrimidine;[5-[2-cyclopropyl-3-(4-fluoro-1H-indol-5-yl)imidazo[1,2-a]pyrazin-6-yl]-2-fluorophenyl]-pentafluoro-λ6-sulfane;4-[2-cyclopropyl-5-[4-fluoro-3-(trifluoromethyl)phenyl]pyrazolo[1,5-c]pyrimidin-3-yl]-3,5-difluorophenol;3-(4-fluoro-1H-indazol-5-yl)-5-[4-fluoro-3-(1,1,2,2,2-pentafluoroethyl)phenyl]-2-propan-2-ylpyrazolo[1,5-c]pyrimidine;3-(4-fluoro-1H-indazol-5-yl)-5-[4-fluoro-3-(trifluoromethyl)phenyl]-2-propan-2-ylpyrazolo[1,5-c]pyrimidine?
[5-[2-cyclopropyl-3-(2,6-difluoro-4-methylphenyl)imidazo[1,2-a]pyrazin-6-yl]-2-fluorophenyl]-pentafluoro-λ6-sulfane;2-cyclopropyl-3-(4-fluoro-1H-indazol-5-yl)-5-[4-fluoro-3-(1,1,2,2,2-pentafluoroethyl)phenyl]pyrazolo[1,5-c]pyrimidine;[5-[2-cyclopropyl-3-(4-fluoro-1H-indol-5-yl)imidazo[1,2-a]pyrazin-6-yl]-2-fluorophenyl]-pentafluoro-λ6-sulfane;4-[2-cyclopropyl-5-[4-fluoro-3-(trifluoromethyl)phenyl]pyrazolo[1,5-c]pyrimidin-3-yl]-3,5-difluorophenol;3-(4-fluoro-1H-indazol-5-yl)-5-[4-fluoro-3-(1,1,2,2,2-pentafluoroethyl)phenyl]-2-propan-2-ylpyrazolo[1,5-c]pyrimidine;3-(4-fluoro-1H-indazol-5-yl)-5-[4-fluoro-3-(trifluoromethyl)phenyl]-2-propan-2-ylpyrazolo[1,5-c]pyrimidine has a molecular weight of 2937.46 g/mol, XLogP of 42.87, 22 rotatable bonds, 5 hydrogen bond donors, and 22 hydrogen bond acceptors.
Where does this data come from?
All data for [5-[2-cyclopropyl-3-(2,6-difluoro-4-methylphenyl)imidazo[1,2-a]pyrazin-6-yl]-2-fluorophenyl]-pentafluoro-λ6-sulfane;2-cyclopropyl-3-(4-fluoro-1H-indazol-5-yl)-5-[4-fluoro-3-(1,1,2,2,2-pentafluoroethyl)phenyl]pyrazolo[1,5-c]pyrimidine;[5-[2-cyclopropyl-3-(4-fluoro-1H-indol-5-yl)imidazo[1,2-a]pyrazin-6-yl]-2-fluorophenyl]-pentafluoro-λ6-sulfane;4-[2-cyclopropyl-5-[4-fluoro-3-(trifluoromethyl)phenyl]pyrazolo[1,5-c]pyrimidin-3-yl]-3,5-difluorophenol;3-(4-fluoro-1H-indazol-5-yl)-5-[4-fluoro-3-(1,1,2,2,2-pentafluoroethyl)phenyl]-2-propan-2-ylpyrazolo[1,5-c]pyrimidine;3-(4-fluoro-1H-indazol-5-yl)-5-[4-fluoro-3-(trifluoromethyl)phenyl]-2-propan-2-ylpyrazolo[1,5-c]pyrimidine is sourced from PubChem (CID 159612349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).