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

C137H124Cl3F10N25O5 — CID 161405161

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

5-chloro-7-[(1S)-1-(3-fluoro-4-methylphenyl)ethyl]-3-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]pyrazolo[3,4-b]pyridine;5-chloro-7-[1-(3-fluoro-4-methylphenyl)ethyl]-3-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]pyrazolo[3,4-b]pyridine;3-[4-(5-chloro-4-methylimidazol-1-yl)-3-methoxyphenyl]-5-(1,1-difluoroethyl)-7-[1-(3,5-difluoro-4-methylphenyl)ethyl]pyrazolo[3,4-b]pyridine;5-cyclopropyl-3-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-7-[1-(4-methylphenyl)ethyl]pyrazolo[3,4-b]pyridine;5-(1,1-difluoroethyl)-7-[1-(3,5-difluoro-4-methylphenyl)ethyl]-3-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]pyrazolo[3,4-b]pyridine (PubChem CID 161405161) has the molecular formula C137H124Cl3F10N25O5 and a molecular weight of 2497.01 g/mol. Its IUPAC name is 5-chloro-7-[(1S)-1-(3-fluoro-4-methylphenyl)ethyl]-3-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]pyrazolo[3,4-b]pyridine;5-chloro-7-[1-(3-fluoro-4-methylphenyl)ethyl]-3-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]pyrazolo[3,4-b]pyridine;3-[4-(5-chloro-4-methylimidazol-1-yl)-3-methoxyphenyl]-5-(1,1-difluoroethyl)-7-[1-(3,5-difluoro-4-methylphenyl)ethyl]pyrazolo[3,4-b]pyridine;5-cyclopropyl-3-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-7-[1-(4-methylphenyl)ethyl]pyrazolo[3,4-b]pyridine;5-(1,1-difluoroethyl)-7-[1-(3,5-difluoro-4-methylphenyl)ethyl]-3-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]pyrazolo[3,4-b]pyridine.

Molecular Properties

• Compound Name: 5-chloro-7-[(1S)-1-(3-fluoro-4-methylphenyl)ethyl]-3-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]pyrazolo[3,4-b]pyridine;5-chloro-7-[1-(3-fluoro-4-methylphenyl)ethyl]-3-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]pyrazolo[3,4-b]pyridine;3-[4-(5-chloro-4-methylimidazol-1-yl)-3-methoxyphenyl]-5-(1,1-difluoroethyl)-7-[1-(3,5-difluoro-4-methylphenyl)ethyl]pyrazolo[3,4-b]pyridine;5-cyclopropyl-3-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-7-[1-(4-methylphenyl)ethyl]pyrazolo[3,4-b]pyridine;5-(1,1-difluoroethyl)-7-[1-(3,5-difluoro-4-methylphenyl)ethyl]-3-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]pyrazolo[3,4-b]pyridine
• PubChem CID: 161405161
• Molecular Formula: C137H124Cl3F10N25O5
• Molecular Weight: 2497.01 g/mol
• Exact Mass: 2493.91
• IUPAC Name: 5-chloro-7-[(1S)-1-(3-fluoro-4-methylphenyl)ethyl]-3-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]pyrazolo[3,4-b]pyridine;5-chloro-7-[1-(3-fluoro-4-methylphenyl)ethyl]-3-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]pyrazolo[3,4-b]pyridine;3-[4-(5-chloro-4-methylimidazol-1-yl)-3-methoxyphenyl]-5-(1,1-difluoroethyl)-7-[1-(3,5-difluoro-4-methylphenyl)ethyl]pyrazolo[3,4-b]pyridine;5-cyclopropyl-3-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-7-[1-(4-methylphenyl)ethyl]pyrazolo[3,4-b]pyridine;5-(1,1-difluoroethyl)-7-[1-(3,5-difluoro-4-methylphenyl)ethyl]-3-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]pyrazolo[3,4-b]pyridine
• SMILES: COc1cc(-c2nnc3n(C(C)c4cc(F)c(C)c(F)c4)cc(C(C)(F)F)cc2-3)ccc1-n1cnc(C)c1.COc1cc(-c2nnc3n(C(C)c4cc(F)c(C)c(F)c4)cc(C(C)(F)F)cc2-3)ccc1-n1cnc(C)c1Cl.COc1cc(-c2nnc3n(C(C)c4ccc(C)c(F)c4)cc(Cl)cc2-3)ccc1-n1cnc(C)c1.COc1cc(-c2nnc3n(C(C)c4ccc(C)cc4)cc(C4CC4)cc2-3)ccc1-n1cnc(C)c1.COc1cc(-c2nnc3n([C@@H](C)c4ccc(C)c(F)c4)cc(Cl)cc2-3)ccc1-n1cnc(C)c1
• InChI: InChI=1S/C29H29N5O.C28H24ClF4N5O.C28H25F4N5O.2C26H23ClFN5O/c1-18-5-7-21(8-6-18)20(3)34-16-24(22-9-10-22)13-25-28(31-32-29(25)34)23-11-12-26(27(14-23)35-4)33-15-19(2)30-17-33;1-14-21(30)8-18(9-22(14)31)16(3)37-12-19(28(4,32)33)11-20-25(35-36-27(20)37)17-6-7-23(24(10-17)39-5)38-13-34-15(2)26(38)29;1-15-12-36(14-33-15)24-7-6-18(10-25(24)38-5)26-21-11-20(28(4,31)32)13-37(27(21)35-34-26)17(3)19-8-22(29)16(2)23(30)9-19;2*1-15-5-6-18(9-22(15)28)17(3)33-13-20(27)11-21-25(30-31-26(21)33)19-7-8-23(24(10-19)34-4)32-12-16(2)29-14-32/h5-8,11-17,20,22H,9-10H2,1-4H3;6-13,16H,1-5H3;6-14,17H,1-5H3;2*5-14,17H,1-4H3/t;;;17-;/m...0./s1
• InChIKey: VUSWWOHAWKQKLK-WQRIQYTDSA-N
• XLogP: 33.25
• TPSA: 288.80 Ų
• H-Bond Acceptors: 30
• Rotatable Bonds: 28
• Heavy Atoms: 180
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2497.01
LogP ≤ 5	33.25
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	30

Frequently Asked Questions

What is the IUPAC name of 5-chloro-7-[(1S)-1-(3-fluoro-4-methylphenyl)ethyl]-3-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]pyrazolo[3,4-b]pyridine;5-chloro-7-[1-(3-fluoro-4-methylphenyl)ethyl]-3-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]pyrazolo[3,4-b]pyridine;3-[4-(5-chloro-4-methylimidazol-1-yl)-3-methoxyphenyl]-5-(1,1-difluoroethyl)-7-[1-(3,5-difluoro-4-methylphenyl)ethyl]pyrazolo[3,4-b]pyridine;5-cyclopropyl-3-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-7-[1-(4-methylphenyl)ethyl]pyrazolo[3,4-b]pyridine;5-(1,1-difluoroethyl)-7-[1-(3,5-difluoro-4-methylphenyl)ethyl]-3-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]pyrazolo[3,4-b]pyridine?

The IUPAC name of 5-chloro-7-[(1S)-1-(3-fluoro-4-methylphenyl)ethyl]-3-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]pyrazolo[3,4-b]pyridine;5-chloro-7-[1-(3-fluoro-4-methylphenyl)ethyl]-3-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]pyrazolo[3,4-b]pyridine;3-[4-(5-chloro-4-methylimidazol-1-yl)-3-methoxyphenyl]-5-(1,1-difluoroethyl)-7-[1-(3,5-difluoro-4-methylphenyl)ethyl]pyrazolo[3,4-b]pyridine;5-cyclopropyl-3-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-7-[1-(4-methylphenyl)ethyl]pyrazolo[3,4-b]pyridine;5-(1,1-difluoroethyl)-7-[1-(3,5-difluoro-4-methylphenyl)ethyl]-3-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]pyrazolo[3,4-b]pyridine (CID 161405161) is 5-chloro-7-[(1S)-1-(3-fluoro-4-methylphenyl)ethyl]-3-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]pyrazolo[3,4-b]pyridine;5-chloro-7-[1-(3-fluoro-4-methylphenyl)ethyl]-3-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]pyrazolo[3,4-b]pyridine;3-[4-(5-chloro-4-methylimidazol-1-yl)-3-methoxyphenyl]-5-(1,1-difluoroethyl)-7-[1-(3,5-difluoro-4-methylphenyl)ethyl]pyrazolo[3,4-b]pyridine;5-cyclopropyl-3-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-7-[1-(4-methylphenyl)ethyl]pyrazolo[3,4-b]pyridine;5-(1,1-difluoroethyl)-7-[1-(3,5-difluoro-4-methylphenyl)ethyl]-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-fluoro-4-methylphenyl)ethyl]-3-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]pyrazolo[3,4-b]pyridine;5-chloro-7-[1-(3-fluoro-4-methylphenyl)ethyl]-3-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]pyrazolo[3,4-b]pyridine;3-[4-(5-chloro-4-methylimidazol-1-yl)-3-methoxyphenyl]-5-(1,1-difluoroethyl)-7-[1-(3,5-difluoro-4-methylphenyl)ethyl]pyrazolo[3,4-b]pyridine;5-cyclopropyl-3-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-7-[1-(4-methylphenyl)ethyl]pyrazolo[3,4-b]pyridine;5-(1,1-difluoroethyl)-7-[1-(3,5-difluoro-4-methylphenyl)ethyl]-3-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]pyrazolo[3,4-b]pyridine?

The canonical SMILES for 5-chloro-7-[(1S)-1-(3-fluoro-4-methylphenyl)ethyl]-3-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]pyrazolo[3,4-b]pyridine;5-chloro-7-[1-(3-fluoro-4-methylphenyl)ethyl]-3-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]pyrazolo[3,4-b]pyridine;3-[4-(5-chloro-4-methylimidazol-1-yl)-3-methoxyphenyl]-5-(1,1-difluoroethyl)-7-[1-(3,5-difluoro-4-methylphenyl)ethyl]pyrazolo[3,4-b]pyridine;5-cyclopropyl-3-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-7-[1-(4-methylphenyl)ethyl]pyrazolo[3,4-b]pyridine;5-(1,1-difluoroethyl)-7-[1-(3,5-difluoro-4-methylphenyl)ethyl]-3-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]pyrazolo[3,4-b]pyridine is COc1cc(-c2nnc3n(C(C)c4cc(F)c(C)c(F)c4)cc(C(C)(F)F)cc2-3)ccc1-n1cnc(C)c1.COc1cc(-c2nnc3n(C(C)c4cc(F)c(C)c(F)c4)cc(C(C)(F)F)cc2-3)ccc1-n1cnc(C)c1Cl.COc1cc(-c2nnc3n(C(C)c4ccc(C)c(F)c4)cc(Cl)cc2-3)ccc1-n1cnc(C)c1.COc1cc(-c2nnc3n(C(C)c4ccc(C)cc4)cc(C4CC4)cc2-3)ccc1-n1cnc(C)c1.COc1cc(-c2nnc3n([C@@H](C)c4ccc(C)c(F)c4)cc(Cl)cc2-3)ccc1-n1cnc(C)c1.

What is the InChIKey of 5-chloro-7-[(1S)-1-(3-fluoro-4-methylphenyl)ethyl]-3-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]pyrazolo[3,4-b]pyridine;5-chloro-7-[1-(3-fluoro-4-methylphenyl)ethyl]-3-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]pyrazolo[3,4-b]pyridine;3-[4-(5-chloro-4-methylimidazol-1-yl)-3-methoxyphenyl]-5-(1,1-difluoroethyl)-7-[1-(3,5-difluoro-4-methylphenyl)ethyl]pyrazolo[3,4-b]pyridine;5-cyclopropyl-3-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-7-[1-(4-methylphenyl)ethyl]pyrazolo[3,4-b]pyridine;5-(1,1-difluoroethyl)-7-[1-(3,5-difluoro-4-methylphenyl)ethyl]-3-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]pyrazolo[3,4-b]pyridine?

The InChIKey is VUSWWOHAWKQKLK-WQRIQYTDSA-N. The full InChI is InChI=1S/C29H29N5O.C28H24ClF4N5O.C28H25F4N5O.2C26H23ClFN5O/c1-18-5-7-21(8-6-18)20(3)34-16-24(22-9-10-22)13-25-28(31-32-29(25)34)23-11-12-26(27(14-23)35-4)33-15-19(2)30-17-33;1-14-21(30)8-18(9-22(14)31)16(3)37-12-19(28(4,32)33)11-20-25(35-36-27(20)37)17-6-7-23(24(10-17)39-5)38-13-34-15(2)26(38)29;1-15-12-36(14-33-15)24-7-6-18(10-25(24)38-5)26-21-11-20(28(4,31)32)13-37(27(21)35-34-26)17(3)19-8-22(29)16(2)23(30)9-19;2*1-15-5-6-18(9-22(15)28)17(3)33-13-20(27)11-21-25(30-31-26(21)33)19-7-8-23(24(10-19)34-4)32-12-16(2)29-14-32/h5-8,11-17,20,22H,9-10H2,1-4H3;6-13,16H,1-5H3;6-14,17H,1-5H3;2*5-14,17H,1-4H3/t;;;17-;/m...0./s1.

What are the key properties of 5-chloro-7-[(1S)-1-(3-fluoro-4-methylphenyl)ethyl]-3-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]pyrazolo[3,4-b]pyridine;5-chloro-7-[1-(3-fluoro-4-methylphenyl)ethyl]-3-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]pyrazolo[3,4-b]pyridine;3-[4-(5-chloro-4-methylimidazol-1-yl)-3-methoxyphenyl]-5-(1,1-difluoroethyl)-7-[1-(3,5-difluoro-4-methylphenyl)ethyl]pyrazolo[3,4-b]pyridine;5-cyclopropyl-3-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-7-[1-(4-methylphenyl)ethyl]pyrazolo[3,4-b]pyridine;5-(1,1-difluoroethyl)-7-[1-(3,5-difluoro-4-methylphenyl)ethyl]-3-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]pyrazolo[3,4-b]pyridine?

5-chloro-7-[(1S)-1-(3-fluoro-4-methylphenyl)ethyl]-3-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]pyrazolo[3,4-b]pyridine;5-chloro-7-[1-(3-fluoro-4-methylphenyl)ethyl]-3-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]pyrazolo[3,4-b]pyridine;3-[4-(5-chloro-4-methylimidazol-1-yl)-3-methoxyphenyl]-5-(1,1-difluoroethyl)-7-[1-(3,5-difluoro-4-methylphenyl)ethyl]pyrazolo[3,4-b]pyridine;5-cyclopropyl-3-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-7-[1-(4-methylphenyl)ethyl]pyrazolo[3,4-b]pyridine;5-(1,1-difluoroethyl)-7-[1-(3,5-difluoro-4-methylphenyl)ethyl]-3-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]pyrazolo[3,4-b]pyridine has a molecular weight of 2497.01 g/mol, XLogP of 33.25, 28 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-fluoro-4-methylphenyl)ethyl]-3-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]pyrazolo[3,4-b]pyridine;5-chloro-7-[1-(3-fluoro-4-methylphenyl)ethyl]-3-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]pyrazolo[3,4-b]pyridine;3-[4-(5-chloro-4-methylimidazol-1-yl)-3-methoxyphenyl]-5-(1,1-difluoroethyl)-7-[1-(3,5-difluoro-4-methylphenyl)ethyl]pyrazolo[3,4-b]pyridine;5-cyclopropyl-3-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-7-[1-(4-methylphenyl)ethyl]pyrazolo[3,4-b]pyridine;5-(1,1-difluoroethyl)-7-[1-(3,5-difluoro-4-methylphenyl)ethyl]-3-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]pyrazolo[3,4-b]pyridine is sourced from PubChem (CID 161405161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).