5-chloro-7-[(1S)-1-[3-(1,1-difluoroethyl)-5-(trifluoromethyl)phenyl]ethyl]-3-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]pyrazolo[3,4-b]pyridine;5-(difluoromethyl)-7-[1-(2,6-difluoro-4-methylphenyl)ethyl]-3-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]pyrazolo[3,4-b]pyridine;5-(difluoromethyl)-7-[1-(3-fluoro-5-methylphenyl)ethyl]-3-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]pyrazolo[3,4-b]pyridine;5-(difluoromethyl)-3-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-7-[(1S)-1-(4-methylphenyl)ethyl]pyrazolo[3,4-b]pyridine;7-[1-(3,5-difluoro-4-methylphenyl)ethyl]-5-fluoro-3-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]pyrazolo[3,4-b]pyridine

C135H117ClF17N25O5 — CID 161325696

IUPAC5-chloro-7-[(1S)-1-[3-(1,1-difluoroethyl)-5-(trifluoromethyl)phenyl]ethyl]-3-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]pyrazolo[3,4-b]pyridine;5-(difluoromethyl)-7-[1-(2,6-difluoro-4-methylphenyl)ethyl]-3-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]pyrazolo[3,4-b]pyridine;5-(difluoromethyl)-7-[1-(3-fluoro-5-methylphenyl)ethyl]-3-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]pyrazolo[3,4-b]pyridine;5-(difluoromethyl)-3-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-7-[(1S)-1-(4-methylphenyl)ethyl]pyrazolo[3,4-b]pyridine;7-[1-(3,5-difluoro-4-methylphenyl)ethyl]-5-fluoro-3-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]pyrazolo[3,4-b]pyridine
SMILESCOc1cc(-c2nnc3n(C(C)c4c(F)cc(C)cc4F)cc(C(F)F)cc2-3)ccc1-n1cnc(C)c1.COc1cc(-c2nnc3n(C(C)c4cc(C)cc(F)c4)cc(C(F)F)cc2-3)ccc1-n1cnc(C)c1.COc1cc(-c2nnc3n(C(C)c4cc(F)c(C)c(F)c4)cc(F)cc2-3)ccc1-n1cnc(C)c1.COc1cc(-c2nnc3n([C@@H](C)c4cc(C(C)(F)F)cc(C(F)(F)F)c4)cc(Cl)cc2-3)ccc1-n1cnc(C)c1.COc1cc(-c2nnc3n([C@@H](C)c4ccc(C)cc4)cc(C(F)F)cc2-3)ccc1-n1cnc(C)c1
InChIInChI=1S/C28H23ClF5N5O.C27H23F4N5O.C27H24F3N5O.C27H25F2N5O.C26H22F3N5O/c1-15-12-38(14-35-15)23-6-5-17(9-24(23)40-4)25-22-11-21(29)13-39(26(22)37-36-25)16(2)18-7-19(27(3,30)31)10-20(8-18)28(32,33)34;1-14-7-20(28)24(21(29)8-14)16(3)36-12-18(26(30)31)9-19-25(33-34-27(19)36)17-5-6-22(23(10-17)37-4)35-11-15(2)32-13-35;1-15-7-19(9-21(28)8-15)17(3)35-13-20(26(29)30)10-22-25(32-33-27(22)35)18-5-6-23(24(11-18)36-4)34-12-16(2)31-14-34;1-16-5-7-19(8-6-16)18(3)34-14-21(26(28)29)11-22-25(31-32-27(22)34)20-9-10-23(24(12-20)35-4)33-13-17(2)30-15-33;1-14-11-33(13-30-14)23-6-5-17(9-24(23)35-4)25-20-10-19(27)12-34(26(20)32-31-25)16(3)18-7-21(28)15(2)22(29)8-18/h5-14,16H,1-4H3;5-13,16,26H,1-4H3;5-14,17,26H,1-4H3;5-15,18,26H,1-4H3;5-13,16H,1-4H3/t16-;;;18-;/m0..0./s1
InChIKeyVKSURYLIBJFAPT-RJUKAVFUSA-N
MW2528.01 g/mol
LogP33.47
Rot. Bonds29

About 5-chloro-7-[(1S)-1-[3-(1,1-difluoroethyl)-5-(trifluoromethyl)phenyl]ethyl]-3-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]pyrazolo[3,4-b]pyridine;5-(difluoromethyl)-7-[1-(2,6-difluoro-4-methylphenyl)ethyl]-3-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]pyrazolo[3,4-b]pyridine;5-(difluoromethyl)-7-[1-(3-fluoro-5-methylphenyl)ethyl]-3-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]pyrazolo[3,4-b]pyridine;5-(difluoromethyl)-3-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-7-[(1S)-1-(4-methylphenyl)ethyl]pyrazolo[3,4-b]pyridine;7-[1-(3,5-difluoro-4-methylphenyl)ethyl]-5-fluoro-3-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]pyrazolo[3,4-b]pyridine

5-chloro-7-[(1S)-1-[3-(1,1-difluoroethyl)-5-(trifluoromethyl)phenyl]ethyl]-3-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]pyrazolo[3,4-b]pyridine;5-(difluoromethyl)-7-[1-(2,6-difluoro-4-methylphenyl)ethyl]-3-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]pyrazolo[3,4-b]pyridine;5-(difluoromethyl)-7-[1-(3-fluoro-5-methylphenyl)ethyl]-3-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]pyrazolo[3,4-b]pyridine;5-(difluoromethyl)-3-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-7-[(1S)-1-(4-methylphenyl)ethyl]pyrazolo[3,4-b]pyridine;7-[1-(3,5-difluoro-4-methylphenyl)ethyl]-5-fluoro-3-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]pyrazolo[3,4-b]pyridine (PubChem CID 161325696) has the molecular formula C135H117ClF17N25O5 and a molecular weight of 2528.01 g/mol. Its IUPAC name is 5-chloro-7-[(1S)-1-[3-(1,1-difluoroethyl)-5-(trifluoromethyl)phenyl]ethyl]-3-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]pyrazolo[3,4-b]pyridine;5-(difluoromethyl)-7-[1-(2,6-difluoro-4-methylphenyl)ethyl]-3-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]pyrazolo[3,4-b]pyridine;5-(difluoromethyl)-7-[1-(3-fluoro-5-methylphenyl)ethyl]-3-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]pyrazolo[3,4-b]pyridine;5-(difluoromethyl)-3-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-7-[(1S)-1-(4-methylphenyl)ethyl]pyrazolo[3,4-b]pyridine;7-[1-(3,5-difluoro-4-methylphenyl)ethyl]-5-fluoro-3-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]pyrazolo[3,4-b]pyridine.

Molecular Properties

Compound Name5-chloro-7-[(1S)-1-[3-(1,1-difluoroethyl)-5-(trifluoromethyl)phenyl]ethyl]-3-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]pyrazolo[3,4-b]pyridine;5-(difluoromethyl)-7-[1-(2,6-difluoro-4-methylphenyl)ethyl]-3-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]pyrazolo[3,4-b]pyridine;5-(difluoromethyl)-7-[1-(3-fluoro-5-methylphenyl)ethyl]-3-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]pyrazolo[3,4-b]pyridine;5-(difluoromethyl)-3-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-7-[(1S)-1-(4-methylphenyl)ethyl]pyrazolo[3,4-b]pyridine;7-[1-(3,5-difluoro-4-methylphenyl)ethyl]-5-fluoro-3-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]pyrazolo[3,4-b]pyridine
PubChem CID161325696
Molecular FormulaC135H117ClF17N25O5
Molecular Weight2528.01 g/mol
Exact Mass2525.91
IUPAC Name5-chloro-7-[(1S)-1-[3-(1,1-difluoroethyl)-5-(trifluoromethyl)phenyl]ethyl]-3-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]pyrazolo[3,4-b]pyridine;5-(difluoromethyl)-7-[1-(2,6-difluoro-4-methylphenyl)ethyl]-3-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]pyrazolo[3,4-b]pyridine;5-(difluoromethyl)-7-[1-(3-fluoro-5-methylphenyl)ethyl]-3-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]pyrazolo[3,4-b]pyridine;5-(difluoromethyl)-3-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-7-[(1S)-1-(4-methylphenyl)ethyl]pyrazolo[3,4-b]pyridine;7-[1-(3,5-difluoro-4-methylphenyl)ethyl]-5-fluoro-3-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]pyrazolo[3,4-b]pyridine
SMILESCOc1cc(-c2nnc3n(C(C)c4c(F)cc(C)cc4F)cc(C(F)F)cc2-3)ccc1-n1cnc(C)c1.COc1cc(-c2nnc3n(C(C)c4cc(C)cc(F)c4)cc(C(F)F)cc2-3)ccc1-n1cnc(C)c1.COc1cc(-c2nnc3n(C(C)c4cc(F)c(C)c(F)c4)cc(F)cc2-3)ccc1-n1cnc(C)c1.COc1cc(-c2nnc3n([C@@H](C)c4cc(C(C)(F)F)cc(C(F)(F)F)c4)cc(Cl)cc2-3)ccc1-n1cnc(C)c1.COc1cc(-c2nnc3n([C@@H](C)c4ccc(C)cc4)cc(C(F)F)cc2-3)ccc1-n1cnc(C)c1
InChIInChI=1S/C28H23ClF5N5O.C27H23F4N5O.C27H24F3N5O.C27H25F2N5O.C26H22F3N5O/c1-15-12-38(14-35-15)23-6-5-17(9-24(23)40-4)25-22-11-21(29)13-39(26(22)37-36-25)16(2)18-7-19(27(3,30)31)10-20(8-18)28(32,33)34;1-14-7-20(28)24(21(29)8-14)16(3)36-12-18(26(30)31)9-19-25(33-34-27(19)36)17-5-6-22(23(10-17)37-4)35-11-15(2)32-13-35;1-15-7-19(9-21(28)8-15)17(3)35-13-20(26(29)30)10-22-25(32-33-27(22)35)18-5-6-23(24(11-18)36-4)34-12-16(2)31-14-34;1-16-5-7-19(8-6-16)18(3)34-14-21(26(28)29)11-22-25(31-32-27(22)34)20-9-10-23(24(12-20)35-4)33-13-17(2)30-15-33;1-14-11-33(13-30-14)23-6-5-17(9-24(23)35-4)25-20-10-19(27)12-34(26(20)32-31-25)16(3)18-7-21(28)15(2)22(29)8-18/h5-14,16H,1-4H3;5-13,16,26H,1-4H3;5-14,17,26H,1-4H3;5-15,18,26H,1-4H3;5-13,16H,1-4H3/t16-;;;18-;/m0..0./s1
InChIKeyVKSURYLIBJFAPT-RJUKAVFUSA-N
XLogP33.47
TPSA288.80 Ų
H-Bond Donors
H-Bond Acceptors30
Rotatable Bonds29
Heavy Atoms183
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002528.01
LogP ≤ 533.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1030

Analyze 5-chloro-7-[(1S)-1-[3-(1,1-difluoroethyl)-5-(trifluoromethyl)phenyl]ethyl]-3-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]pyrazolo[3,4-b]pyridine;5-(difluoromethyl)-7-[1-(2,6-difluoro-4-methylphenyl)ethyl]-3-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]pyrazolo[3,4-b]pyridine;5-(difluoromethyl)-7-[1-(3-fluoro-5-methylphenyl)ethyl]-3-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]pyrazolo[3,4-b]pyridine;5-(difluoromethyl)-3-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-7-[(1S)-1-(4-methylphenyl)ethyl]pyrazolo[3,4-b]pyridine;7-[1-(3,5-difluoro-4-methylphenyl)ethyl]-5-fluoro-3-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]pyrazolo[3,4-b]pyridine with MolForge

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Related Compounds

5-chloro-3-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-7-[(1S)-1-(3,4,5-trifluorophenyl)propyl]pyrazolo[3,4-b]pyridine
CID 42633129
5-chloro-7-[(1S)-1-(4-fluorophenyl)ethyl]-3-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]pyrazolo[3,4-b]pyridine
CID 42634228
5-chloro-7-[(1S)-1-(2,5-difluorophenyl)ethyl]-3-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]pyrazolo[3,4-b]pyridine
CID 42635472
(S)-5-Chloro-3-(3-methoxy-4-(4-methyl-1H-imidazol-1-YL)phenyl)-7-(1-(3,4,5-trifluorophenyl)ethyl)-7H-pyrazolo[3,4-B]pyridine
CID 53249051
(2R)-2-[5-chloro-3-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]pyrazolo[3,4-b]pyridin-7-yl]-2-(4-fluorophenyl)ethanol
CID 57393417
5-Chloro-7-[1-(4-fluorophenyl)ethenyl]-3-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]pyrazolo[3,4-b]pyridine
CID 57393418
5-chloro-7-[(1S)-1-(3,5-difluorophenyl)ethyl]-3-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]pyrazolo[3,4-b]pyridine
CID 57395146
5-chloro-7-[(1S)-1-(3,4-difluorophenyl)ethyl]-3-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]pyrazolo[3,4-b]pyridine
CID 57403889
5-chloro-3-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-7-[(1R)-1-(3,4,5-trifluorophenyl)propyl]pyrazolo[3,4-b]pyridine
CID 42633127
2-[5-Chloro-3-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]pyrazolo[3,4-b]pyridin-7-yl]-2-(4-fluorophenyl)ethanol
CID 42633131
5-Chloro-7-[1-(3,5-difluorophenyl)ethyl]-3-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]pyrazolo[3,4-b]pyridine
CID 42634559
5-Chloro-7-[1-(3,4-difluorophenyl)ethyl]-3-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]pyrazolo[3,4-b]pyridine
CID 42634560

Frequently Asked Questions

What is the IUPAC name of 5-chloro-7-[(1S)-1-[3-(1,1-difluoroethyl)-5-(trifluoromethyl)phenyl]ethyl]-3-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]pyrazolo[3,4-b]pyridine;5-(difluoromethyl)-7-[1-(2,6-difluoro-4-methylphenyl)ethyl]-3-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]pyrazolo[3,4-b]pyridine;5-(difluoromethyl)-7-[1-(3-fluoro-5-methylphenyl)ethyl]-3-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]pyrazolo[3,4-b]pyridine;5-(difluoromethyl)-3-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-7-[(1S)-1-(4-methylphenyl)ethyl]pyrazolo[3,4-b]pyridine;7-[1-(3,5-difluoro-4-methylphenyl)ethyl]-5-fluoro-3-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]pyrazolo[3,4-b]pyridine?
The IUPAC name of 5-chloro-7-[(1S)-1-[3-(1,1-difluoroethyl)-5-(trifluoromethyl)phenyl]ethyl]-3-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]pyrazolo[3,4-b]pyridine;5-(difluoromethyl)-7-[1-(2,6-difluoro-4-methylphenyl)ethyl]-3-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]pyrazolo[3,4-b]pyridine;5-(difluoromethyl)-7-[1-(3-fluoro-5-methylphenyl)ethyl]-3-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]pyrazolo[3,4-b]pyridine;5-(difluoromethyl)-3-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-7-[(1S)-1-(4-methylphenyl)ethyl]pyrazolo[3,4-b]pyridine;7-[1-(3,5-difluoro-4-methylphenyl)ethyl]-5-fluoro-3-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]pyrazolo[3,4-b]pyridine (CID 161325696) is 5-chloro-7-[(1S)-1-[3-(1,1-difluoroethyl)-5-(trifluoromethyl)phenyl]ethyl]-3-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]pyrazolo[3,4-b]pyridine;5-(difluoromethyl)-7-[1-(2,6-difluoro-4-methylphenyl)ethyl]-3-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]pyrazolo[3,4-b]pyridine;5-(difluoromethyl)-7-[1-(3-fluoro-5-methylphenyl)ethyl]-3-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]pyrazolo[3,4-b]pyridine;5-(difluoromethyl)-3-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-7-[(1S)-1-(4-methylphenyl)ethyl]pyrazolo[3,4-b]pyridine;7-[1-(3,5-difluoro-4-methylphenyl)ethyl]-5-fluoro-3-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]pyrazolo[3,4-b]pyridine.
What is the SMILES notation for 5-chloro-7-[(1S)-1-[3-(1,1-difluoroethyl)-5-(trifluoromethyl)phenyl]ethyl]-3-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]pyrazolo[3,4-b]pyridine;5-(difluoromethyl)-7-[1-(2,6-difluoro-4-methylphenyl)ethyl]-3-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]pyrazolo[3,4-b]pyridine;5-(difluoromethyl)-7-[1-(3-fluoro-5-methylphenyl)ethyl]-3-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]pyrazolo[3,4-b]pyridine;5-(difluoromethyl)-3-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-7-[(1S)-1-(4-methylphenyl)ethyl]pyrazolo[3,4-b]pyridine;7-[1-(3,5-difluoro-4-methylphenyl)ethyl]-5-fluoro-3-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]pyrazolo[3,4-b]pyridine?
The canonical SMILES for 5-chloro-7-[(1S)-1-[3-(1,1-difluoroethyl)-5-(trifluoromethyl)phenyl]ethyl]-3-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]pyrazolo[3,4-b]pyridine;5-(difluoromethyl)-7-[1-(2,6-difluoro-4-methylphenyl)ethyl]-3-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]pyrazolo[3,4-b]pyridine;5-(difluoromethyl)-7-[1-(3-fluoro-5-methylphenyl)ethyl]-3-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]pyrazolo[3,4-b]pyridine;5-(difluoromethyl)-3-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-7-[(1S)-1-(4-methylphenyl)ethyl]pyrazolo[3,4-b]pyridine;7-[1-(3,5-difluoro-4-methylphenyl)ethyl]-5-fluoro-3-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]pyrazolo[3,4-b]pyridine is COc1cc(-c2nnc3n(C(C)c4c(F)cc(C)cc4F)cc(C(F)F)cc2-3)ccc1-n1cnc(C)c1.COc1cc(-c2nnc3n(C(C)c4cc(C)cc(F)c4)cc(C(F)F)cc2-3)ccc1-n1cnc(C)c1.COc1cc(-c2nnc3n(C(C)c4cc(F)c(C)c(F)c4)cc(F)cc2-3)ccc1-n1cnc(C)c1.COc1cc(-c2nnc3n([C@@H](C)c4cc(C(C)(F)F)cc(C(F)(F)F)c4)cc(Cl)cc2-3)ccc1-n1cnc(C)c1.COc1cc(-c2nnc3n([C@@H](C)c4ccc(C)cc4)cc(C(F)F)cc2-3)ccc1-n1cnc(C)c1.
What is the InChIKey of 5-chloro-7-[(1S)-1-[3-(1,1-difluoroethyl)-5-(trifluoromethyl)phenyl]ethyl]-3-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]pyrazolo[3,4-b]pyridine;5-(difluoromethyl)-7-[1-(2,6-difluoro-4-methylphenyl)ethyl]-3-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]pyrazolo[3,4-b]pyridine;5-(difluoromethyl)-7-[1-(3-fluoro-5-methylphenyl)ethyl]-3-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]pyrazolo[3,4-b]pyridine;5-(difluoromethyl)-3-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-7-[(1S)-1-(4-methylphenyl)ethyl]pyrazolo[3,4-b]pyridine;7-[1-(3,5-difluoro-4-methylphenyl)ethyl]-5-fluoro-3-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]pyrazolo[3,4-b]pyridine?
The InChIKey is VKSURYLIBJFAPT-RJUKAVFUSA-N. The full InChI is InChI=1S/C28H23ClF5N5O.C27H23F4N5O.C27H24F3N5O.C27H25F2N5O.C26H22F3N5O/c1-15-12-38(14-35-15)23-6-5-17(9-24(23)40-4)25-22-11-21(29)13-39(26(22)37-36-25)16(2)18-7-19(27(3,30)31)10-20(8-18)28(32,33)34;1-14-7-20(28)24(21(29)8-14)16(3)36-12-18(26(30)31)9-19-25(33-34-27(19)36)17-5-6-22(23(10-17)37-4)35-11-15(2)32-13-35;1-15-7-19(9-21(28)8-15)17(3)35-13-20(26(29)30)10-22-25(32-33-27(22)35)18-5-6-23(24(11-18)36-4)34-12-16(2)31-14-34;1-16-5-7-19(8-6-16)18(3)34-14-21(26(28)29)11-22-25(31-32-27(22)34)20-9-10-23(24(12-20)35-4)33-13-17(2)30-15-33;1-14-11-33(13-30-14)23-6-5-17(9-24(23)35-4)25-20-10-19(27)12-34(26(20)32-31-25)16(3)18-7-21(28)15(2)22(29)8-18/h5-14,16H,1-4H3;5-13,16,26H,1-4H3;5-14,17,26H,1-4H3;5-15,18,26H,1-4H3;5-13,16H,1-4H3/t16-;;;18-;/m0..0./s1.
What are the key properties of 5-chloro-7-[(1S)-1-[3-(1,1-difluoroethyl)-5-(trifluoromethyl)phenyl]ethyl]-3-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]pyrazolo[3,4-b]pyridine;5-(difluoromethyl)-7-[1-(2,6-difluoro-4-methylphenyl)ethyl]-3-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]pyrazolo[3,4-b]pyridine;5-(difluoromethyl)-7-[1-(3-fluoro-5-methylphenyl)ethyl]-3-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]pyrazolo[3,4-b]pyridine;5-(difluoromethyl)-3-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-7-[(1S)-1-(4-methylphenyl)ethyl]pyrazolo[3,4-b]pyridine;7-[1-(3,5-difluoro-4-methylphenyl)ethyl]-5-fluoro-3-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]pyrazolo[3,4-b]pyridine?
5-chloro-7-[(1S)-1-[3-(1,1-difluoroethyl)-5-(trifluoromethyl)phenyl]ethyl]-3-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]pyrazolo[3,4-b]pyridine;5-(difluoromethyl)-7-[1-(2,6-difluoro-4-methylphenyl)ethyl]-3-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]pyrazolo[3,4-b]pyridine;5-(difluoromethyl)-7-[1-(3-fluoro-5-methylphenyl)ethyl]-3-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]pyrazolo[3,4-b]pyridine;5-(difluoromethyl)-3-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-7-[(1S)-1-(4-methylphenyl)ethyl]pyrazolo[3,4-b]pyridine;7-[1-(3,5-difluoro-4-methylphenyl)ethyl]-5-fluoro-3-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]pyrazolo[3,4-b]pyridine has a molecular weight of 2528.01 g/mol, XLogP of 33.47, 29 rotatable bonds, 0 hydrogen bond donors, and 30 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-7-[(1S)-1-[3-(1,1-difluoroethyl)-5-(trifluoromethyl)phenyl]ethyl]-3-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]pyrazolo[3,4-b]pyridine;5-(difluoromethyl)-7-[1-(2,6-difluoro-4-methylphenyl)ethyl]-3-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]pyrazolo[3,4-b]pyridine;5-(difluoromethyl)-7-[1-(3-fluoro-5-methylphenyl)ethyl]-3-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]pyrazolo[3,4-b]pyridine;5-(difluoromethyl)-3-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-7-[(1S)-1-(4-methylphenyl)ethyl]pyrazolo[3,4-b]pyridine;7-[1-(3,5-difluoro-4-methylphenyl)ethyl]-5-fluoro-3-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]pyrazolo[3,4-b]pyridine is sourced from PubChem (CID 161325696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).