tert-butyl-[2-[5-chloro-3-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]pyrazolo[3,4-b]pyridin-7-yl]-2-(4-methylphenyl)ethoxy]-dimethylsilane;5-chloro-7-[(1S)-1-(3,5-difluoro-4-methylphenyl)propyl]-3-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]pyrazolo[3,4-b]pyridine;2-[5-chloro-3-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]pyrazolo[3,4-b]pyridin-7-yl]-2-(4-methylphenyl)ethanol

C85H86Cl3F2N15O5Si — CID 159837655

About tert-butyl-[2-[5-chloro-3-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]pyrazolo[3,4-b]pyridin-7-yl]-2-(4-methylphenyl)ethoxy]-dimethylsilane;5-chloro-7-[(1S)-1-(3,5-difluoro-4-methylphenyl)propyl]-3-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]pyrazolo[3,4-b]pyridine;2-[5-chloro-3-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]pyrazolo[3,4-b]pyridin-7-yl]-2-(4-methylphenyl)ethanol

tert-butyl-[2-[5-chloro-3-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]pyrazolo[3,4-b]pyridin-7-yl]-2-(4-methylphenyl)ethoxy]-dimethylsilane;5-chloro-7-[(1S)-1-(3,5-difluoro-4-methylphenyl)propyl]-3-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]pyrazolo[3,4-b]pyridine;2-[5-chloro-3-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]pyrazolo[3,4-b]pyridin-7-yl]-2-(4-methylphenyl)ethanol (PubChem CID 159837655) has the molecular formula C85H86Cl3F2N15O5Si and a molecular weight of 1570.16 g/mol. Its IUPAC name is tert-butyl-[2-[5-chloro-3-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]pyrazolo[3,4-b]pyridin-7-yl]-2-(4-methylphenyl)ethoxy]-dimethylsilane;5-chloro-7-[(1S)-1-(3,5-difluoro-4-methylphenyl)propyl]-3-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]pyrazolo[3,4-b]pyridine;2-[5-chloro-3-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]pyrazolo[3,4-b]pyridin-7-yl]-2-(4-methylphenyl)ethanol.

Molecular Properties

• Compound Name: tert-butyl-[2-[5-chloro-3-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]pyrazolo[3,4-b]pyridin-7-yl]-2-(4-methylphenyl)ethoxy]-dimethylsilane;5-chloro-7-[(1S)-1-(3,5-difluoro-4-methylphenyl)propyl]-3-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]pyrazolo[3,4-b]pyridine;2-[5-chloro-3-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]pyrazolo[3,4-b]pyridin-7-yl]-2-(4-methylphenyl)ethanol
• PubChem CID: 159837655
• Molecular Formula: C85H86Cl3F2N15O5Si
• Molecular Weight: 1570.16 g/mol
• Exact Mass: 1567.57
• IUPAC Name: tert-butyl-[2-[5-chloro-3-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]pyrazolo[3,4-b]pyridin-7-yl]-2-(4-methylphenyl)ethoxy]-dimethylsilane;5-chloro-7-[(1S)-1-(3,5-difluoro-4-methylphenyl)propyl]-3-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]pyrazolo[3,4-b]pyridine;2-[5-chloro-3-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]pyrazolo[3,4-b]pyridin-7-yl]-2-(4-methylphenyl)ethanol
• SMILES: CC[C@@H](c1cc(F)c(C)c(F)c1)n1cc(Cl)cc2c(-c3ccc(-n4cnc(C)c4)c(OC)c3)nnc1-2.COc1cc(-c2nnc3n(C(CO)c4ccc(C)cc4)cc(Cl)cc2-3)ccc1-n1cnc(C)c1.COc1cc(-c2nnc3n(C(CO[Si](C)(C)C(C)(C)C)c4ccc(C)cc4)cc(Cl)cc2-3)ccc1-n1cnc(C)c1
• InChI: InChI=1S/C32H38ClN5O2Si.C27H24ClF2N5O.C26H24ClN5O2/c1-21-9-11-23(12-10-21)28(19-40-41(7,8)32(3,4)5)38-18-25(33)16-26-30(35-36-31(26)38)24-13-14-27(29(15-24)39-6)37-17-22(2)34-20-37;1-5-23(18-8-21(29)16(3)22(30)9-18)35-13-19(28)11-20-26(32-33-27(20)35)17-6-7-24(25(10-17)36-4)34-12-15(2)31-14-34;1-16-4-6-18(7-5-16)23(14-33)32-13-20(27)11-21-25(29-30-26(21)32)19-8-9-22(24(10-19)34-3)31-12-17(2)28-15-31/h9-18,20,28H,19H2,1-8H3;6-14,23H,5H2,1-4H3;4-13,15,23,33H,14H2,1-3H3/t;23-;/m.0./s1
• InChIKey: NOHAKKFMXFCAQL-UUPOELIGSA-N
• XLogP: 20.01
• TPSA: 202.74 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 20
• Rotatable Bonds: 20
• Heavy Atoms: 111
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1570.16
LogP ≤ 5	20.01
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	20

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of tert-butyl-[2-[5-chloro-3-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]pyrazolo[3,4-b]pyridin-7-yl]-2-(4-methylphenyl)ethoxy]-dimethylsilane;5-chloro-7-[(1S)-1-(3,5-difluoro-4-methylphenyl)propyl]-3-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]pyrazolo[3,4-b]pyridine;2-[5-chloro-3-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]pyrazolo[3,4-b]pyridin-7-yl]-2-(4-methylphenyl)ethanol?

The IUPAC name of tert-butyl-[2-[5-chloro-3-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]pyrazolo[3,4-b]pyridin-7-yl]-2-(4-methylphenyl)ethoxy]-dimethylsilane;5-chloro-7-[(1S)-1-(3,5-difluoro-4-methylphenyl)propyl]-3-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]pyrazolo[3,4-b]pyridine;2-[5-chloro-3-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]pyrazolo[3,4-b]pyridin-7-yl]-2-(4-methylphenyl)ethanol (CID 159837655) is tert-butyl-[2-[5-chloro-3-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]pyrazolo[3,4-b]pyridin-7-yl]-2-(4-methylphenyl)ethoxy]-dimethylsilane;5-chloro-7-[(1S)-1-(3,5-difluoro-4-methylphenyl)propyl]-3-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]pyrazolo[3,4-b]pyridine;2-[5-chloro-3-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]pyrazolo[3,4-b]pyridin-7-yl]-2-(4-methylphenyl)ethanol.

What is the SMILES notation for tert-butyl-[2-[5-chloro-3-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]pyrazolo[3,4-b]pyridin-7-yl]-2-(4-methylphenyl)ethoxy]-dimethylsilane;5-chloro-7-[(1S)-1-(3,5-difluoro-4-methylphenyl)propyl]-3-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]pyrazolo[3,4-b]pyridine;2-[5-chloro-3-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]pyrazolo[3,4-b]pyridin-7-yl]-2-(4-methylphenyl)ethanol?

The canonical SMILES for tert-butyl-[2-[5-chloro-3-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]pyrazolo[3,4-b]pyridin-7-yl]-2-(4-methylphenyl)ethoxy]-dimethylsilane;5-chloro-7-[(1S)-1-(3,5-difluoro-4-methylphenyl)propyl]-3-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]pyrazolo[3,4-b]pyridine;2-[5-chloro-3-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]pyrazolo[3,4-b]pyridin-7-yl]-2-(4-methylphenyl)ethanol is CC[C@@H](c1cc(F)c(C)c(F)c1)n1cc(Cl)cc2c(-c3ccc(-n4cnc(C)c4)c(OC)c3)nnc1-2.COc1cc(-c2nnc3n(C(CO)c4ccc(C)cc4)cc(Cl)cc2-3)ccc1-n1cnc(C)c1.COc1cc(-c2nnc3n(C(CO[Si](C)(C)C(C)(C)C)c4ccc(C)cc4)cc(Cl)cc2-3)ccc1-n1cnc(C)c1.

What is the InChIKey of tert-butyl-[2-[5-chloro-3-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]pyrazolo[3,4-b]pyridin-7-yl]-2-(4-methylphenyl)ethoxy]-dimethylsilane;5-chloro-7-[(1S)-1-(3,5-difluoro-4-methylphenyl)propyl]-3-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]pyrazolo[3,4-b]pyridine;2-[5-chloro-3-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]pyrazolo[3,4-b]pyridin-7-yl]-2-(4-methylphenyl)ethanol?

The InChIKey is NOHAKKFMXFCAQL-UUPOELIGSA-N. The full InChI is InChI=1S/C32H38ClN5O2Si.C27H24ClF2N5O.C26H24ClN5O2/c1-21-9-11-23(12-10-21)28(19-40-41(7,8)32(3,4)5)38-18-25(33)16-26-30(35-36-31(26)38)24-13-14-27(29(15-24)39-6)37-17-22(2)34-20-37;1-5-23(18-8-21(29)16(3)22(30)9-18)35-13-19(28)11-20-26(32-33-27(20)35)17-6-7-24(25(10-17)36-4)34-12-15(2)31-14-34;1-16-4-6-18(7-5-16)23(14-33)32-13-20(27)11-21-25(29-30-26(21)32)19-8-9-22(24(10-19)34-3)31-12-17(2)28-15-31/h9-18,20,28H,19H2,1-8H3;6-14,23H,5H2,1-4H3;4-13,15,23,33H,14H2,1-3H3/t;23-;/m.0./s1.

What are the key properties of tert-butyl-[2-[5-chloro-3-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]pyrazolo[3,4-b]pyridin-7-yl]-2-(4-methylphenyl)ethoxy]-dimethylsilane;5-chloro-7-[(1S)-1-(3,5-difluoro-4-methylphenyl)propyl]-3-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]pyrazolo[3,4-b]pyridine;2-[5-chloro-3-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]pyrazolo[3,4-b]pyridin-7-yl]-2-(4-methylphenyl)ethanol?

tert-butyl-[2-[5-chloro-3-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]pyrazolo[3,4-b]pyridin-7-yl]-2-(4-methylphenyl)ethoxy]-dimethylsilane;5-chloro-7-[(1S)-1-(3,5-difluoro-4-methylphenyl)propyl]-3-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]pyrazolo[3,4-b]pyridine;2-[5-chloro-3-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]pyrazolo[3,4-b]pyridin-7-yl]-2-(4-methylphenyl)ethanol has a molecular weight of 1570.16 g/mol, XLogP of 20.01, 20 rotatable bonds, 1 hydrogen bond donors, and 20 hydrogen bond acceptors.

Where does this data come from?

All data for tert-butyl-[2-[5-chloro-3-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]pyrazolo[3,4-b]pyridin-7-yl]-2-(4-methylphenyl)ethoxy]-dimethylsilane;5-chloro-7-[(1S)-1-(3,5-difluoro-4-methylphenyl)propyl]-3-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]pyrazolo[3,4-b]pyridine;2-[5-chloro-3-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]pyrazolo[3,4-b]pyridin-7-yl]-2-(4-methylphenyl)ethanol is sourced from PubChem (CID 159837655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).