N-(4-butoxyphenyl)-4-chloro-1-(4-fluorophenyl)-3-methylpyrazolo[3,4-b]pyridine-5-carboxamide;4-chloro-N-(4-ethoxyphenyl)-1-(4-fluorophenyl)-3-methylpyrazolo[3,4-b]pyridine-5-carboxamide;4-chloro-1-(4-fluorophenyl)-N-(4-hydroxyphenyl)-3-methylpyrazolo[3,4-b]pyridine-5-carboxamide;4-chloro-1-(4-fluorophenyl)-3-methyl-N-(4-propan-2-yloxyphenyl)pyrazolo[3,4-b]pyridine-5-carboxamide;4-chloro-1-(4-fluorophenyl)-3-methyl-N-(4-propoxyphenyl)pyrazolo[3,4-b]pyridine-5-carboxamide

C112H94Cl5F5N20O10 — CID 160973604

About N-(4-butoxyphenyl)-4-chloro-1-(4-fluorophenyl)-3-methylpyrazolo[3,4-b]pyridine-5-carboxamide;4-chloro-N-(4-ethoxyphenyl)-1-(4-fluorophenyl)-3-methylpyrazolo[3,4-b]pyridine-5-carboxamide;4-chloro-1-(4-fluorophenyl)-N-(4-hydroxyphenyl)-3-methylpyrazolo[3,4-b]pyridine-5-carboxamide;4-chloro-1-(4-fluorophenyl)-3-methyl-N-(4-propan-2-yloxyphenyl)pyrazolo[3,4-b]pyridine-5-carboxamide;4-chloro-1-(4-fluorophenyl)-3-methyl-N-(4-propoxyphenyl)pyrazolo[3,4-b]pyridine-5-carboxamide

N-(4-butoxyphenyl)-4-chloro-1-(4-fluorophenyl)-3-methylpyrazolo[3,4-b]pyridine-5-carboxamide;4-chloro-N-(4-ethoxyphenyl)-1-(4-fluorophenyl)-3-methylpyrazolo[3,4-b]pyridine-5-carboxamide;4-chloro-1-(4-fluorophenyl)-N-(4-hydroxyphenyl)-3-methylpyrazolo[3,4-b]pyridine-5-carboxamide;4-chloro-1-(4-fluorophenyl)-3-methyl-N-(4-propan-2-yloxyphenyl)pyrazolo[3,4-b]pyridine-5-carboxamide;4-chloro-1-(4-fluorophenyl)-3-methyl-N-(4-propoxyphenyl)pyrazolo[3,4-b]pyridine-5-carboxamide (PubChem CID 160973604) has the molecular formula C112H94Cl5F5N20O10 and a molecular weight of 2152.37 g/mol. Its IUPAC name is N-(4-butoxyphenyl)-4-chloro-1-(4-fluorophenyl)-3-methylpyrazolo[3,4-b]pyridine-5-carboxamide;4-chloro-N-(4-ethoxyphenyl)-1-(4-fluorophenyl)-3-methylpyrazolo[3,4-b]pyridine-5-carboxamide;4-chloro-1-(4-fluorophenyl)-N-(4-hydroxyphenyl)-3-methylpyrazolo[3,4-b]pyridine-5-carboxamide;4-chloro-1-(4-fluorophenyl)-3-methyl-N-(4-propan-2-yloxyphenyl)pyrazolo[3,4-b]pyridine-5-carboxamide;4-chloro-1-(4-fluorophenyl)-3-methyl-N-(4-propoxyphenyl)pyrazolo[3,4-b]pyridine-5-carboxamide.

Molecular Properties

• Compound Name: N-(4-butoxyphenyl)-4-chloro-1-(4-fluorophenyl)-3-methylpyrazolo[3,4-b]pyridine-5-carboxamide;4-chloro-N-(4-ethoxyphenyl)-1-(4-fluorophenyl)-3-methylpyrazolo[3,4-b]pyridine-5-carboxamide;4-chloro-1-(4-fluorophenyl)-N-(4-hydroxyphenyl)-3-methylpyrazolo[3,4-b]pyridine-5-carboxamide;4-chloro-1-(4-fluorophenyl)-3-methyl-N-(4-propan-2-yloxyphenyl)pyrazolo[3,4-b]pyridine-5-carboxamide;4-chloro-1-(4-fluorophenyl)-3-methyl-N-(4-propoxyphenyl)pyrazolo[3,4-b]pyridine-5-carboxamide
• PubChem CID: 160973604
• Molecular Formula: C112H94Cl5F5N20O10
• Molecular Weight: 2152.37 g/mol
• Exact Mass: 2148.58
• IUPAC Name: N-(4-butoxyphenyl)-4-chloro-1-(4-fluorophenyl)-3-methylpyrazolo[3,4-b]pyridine-5-carboxamide;4-chloro-N-(4-ethoxyphenyl)-1-(4-fluorophenyl)-3-methylpyrazolo[3,4-b]pyridine-5-carboxamide;4-chloro-1-(4-fluorophenyl)-N-(4-hydroxyphenyl)-3-methylpyrazolo[3,4-b]pyridine-5-carboxamide;4-chloro-1-(4-fluorophenyl)-3-methyl-N-(4-propan-2-yloxyphenyl)pyrazolo[3,4-b]pyridine-5-carboxamide;4-chloro-1-(4-fluorophenyl)-3-methyl-N-(4-propoxyphenyl)pyrazolo[3,4-b]pyridine-5-carboxamide
• SMILES: CCCCOc1ccc(NC(=O)c2cnc3c(c(C)nn3-c3ccc(F)cc3)c2Cl)cc1.CCCOc1ccc(NC(=O)c2cnc3c(c(C)nn3-c3ccc(F)cc3)c2Cl)cc1.CCOc1ccc(NC(=O)c2cnc3c(c(C)nn3-c3ccc(F)cc3)c2Cl)cc1.Cc1nn(-c2ccc(F)cc2)c2ncc(C(=O)Nc3ccc(O)cc3)c(Cl)c12.Cc1nn(-c2ccc(F)cc2)c2ncc(C(=O)Nc3ccc(OC(C)C)cc3)c(Cl)c12
• InChI: InChI=1S/C24H22ClFN4O2.2C23H20ClFN4O2.C22H18ClFN4O2.C20H14ClFN4O2/c1-3-4-13-32-19-11-7-17(8-12-19)28-24(31)20-14-27-23-21(22(20)25)15(2)29-30(23)18-9-5-16(26)6-10-18;1-13(2)31-18-10-6-16(7-11-18)27-23(30)19-12-26-22-20(21(19)24)14(3)28-29(22)17-8-4-15(25)5-9-17;1-3-12-31-18-10-6-16(7-11-18)27-23(30)19-13-26-22-20(21(19)24)14(2)28-29(22)17-8-4-15(25)5-9-17;1-3-30-17-10-6-15(7-11-17)26-22(29)18-12-25-21-19(20(18)23)13(2)27-28(21)16-8-4-14(24)5-9-16;1-11-17-18(21)16(20(28)24-13-4-8-15(27)9-5-13)10-23-19(17)26(25-11)14-6-2-12(22)3-7-14/h5-12,14H,3-4,13H2,1-2H3,(H,28,31);4-13H,1-3H3,(H,27,30);4-11,13H,3,12H2,1-2H3,(H,27,30);4-12H,3H2,1-2H3,(H,26,29);2-10,27H,1H3,(H,24,28)
• InChIKey: SYONWJLGVSBVGI-UHFFFAOYSA-N
• XLogP: 26.73
• TPSA: 356.20 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 25
• Rotatable Bonds: 26
• Heavy Atoms: 152
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2152.37
LogP ≤ 5	26.73
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	25

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-(4-butoxyphenyl)-4-chloro-1-(4-fluorophenyl)-3-methylpyrazolo[3,4-b]pyridine-5-carboxamide;4-chloro-N-(4-ethoxyphenyl)-1-(4-fluorophenyl)-3-methylpyrazolo[3,4-b]pyridine-5-carboxamide;4-chloro-1-(4-fluorophenyl)-N-(4-hydroxyphenyl)-3-methylpyrazolo[3,4-b]pyridine-5-carboxamide;4-chloro-1-(4-fluorophenyl)-3-methyl-N-(4-propan-2-yloxyphenyl)pyrazolo[3,4-b]pyridine-5-carboxamide;4-chloro-1-(4-fluorophenyl)-3-methyl-N-(4-propoxyphenyl)pyrazolo[3,4-b]pyridine-5-carboxamide?

The IUPAC name of N-(4-butoxyphenyl)-4-chloro-1-(4-fluorophenyl)-3-methylpyrazolo[3,4-b]pyridine-5-carboxamide;4-chloro-N-(4-ethoxyphenyl)-1-(4-fluorophenyl)-3-methylpyrazolo[3,4-b]pyridine-5-carboxamide;4-chloro-1-(4-fluorophenyl)-N-(4-hydroxyphenyl)-3-methylpyrazolo[3,4-b]pyridine-5-carboxamide;4-chloro-1-(4-fluorophenyl)-3-methyl-N-(4-propan-2-yloxyphenyl)pyrazolo[3,4-b]pyridine-5-carboxamide;4-chloro-1-(4-fluorophenyl)-3-methyl-N-(4-propoxyphenyl)pyrazolo[3,4-b]pyridine-5-carboxamide (CID 160973604) is N-(4-butoxyphenyl)-4-chloro-1-(4-fluorophenyl)-3-methylpyrazolo[3,4-b]pyridine-5-carboxamide;4-chloro-N-(4-ethoxyphenyl)-1-(4-fluorophenyl)-3-methylpyrazolo[3,4-b]pyridine-5-carboxamide;4-chloro-1-(4-fluorophenyl)-N-(4-hydroxyphenyl)-3-methylpyrazolo[3,4-b]pyridine-5-carboxamide;4-chloro-1-(4-fluorophenyl)-3-methyl-N-(4-propan-2-yloxyphenyl)pyrazolo[3,4-b]pyridine-5-carboxamide;4-chloro-1-(4-fluorophenyl)-3-methyl-N-(4-propoxyphenyl)pyrazolo[3,4-b]pyridine-5-carboxamide.

What is the SMILES notation for N-(4-butoxyphenyl)-4-chloro-1-(4-fluorophenyl)-3-methylpyrazolo[3,4-b]pyridine-5-carboxamide;4-chloro-N-(4-ethoxyphenyl)-1-(4-fluorophenyl)-3-methylpyrazolo[3,4-b]pyridine-5-carboxamide;4-chloro-1-(4-fluorophenyl)-N-(4-hydroxyphenyl)-3-methylpyrazolo[3,4-b]pyridine-5-carboxamide;4-chloro-1-(4-fluorophenyl)-3-methyl-N-(4-propan-2-yloxyphenyl)pyrazolo[3,4-b]pyridine-5-carboxamide;4-chloro-1-(4-fluorophenyl)-3-methyl-N-(4-propoxyphenyl)pyrazolo[3,4-b]pyridine-5-carboxamide?

The canonical SMILES for N-(4-butoxyphenyl)-4-chloro-1-(4-fluorophenyl)-3-methylpyrazolo[3,4-b]pyridine-5-carboxamide;4-chloro-N-(4-ethoxyphenyl)-1-(4-fluorophenyl)-3-methylpyrazolo[3,4-b]pyridine-5-carboxamide;4-chloro-1-(4-fluorophenyl)-N-(4-hydroxyphenyl)-3-methylpyrazolo[3,4-b]pyridine-5-carboxamide;4-chloro-1-(4-fluorophenyl)-3-methyl-N-(4-propan-2-yloxyphenyl)pyrazolo[3,4-b]pyridine-5-carboxamide;4-chloro-1-(4-fluorophenyl)-3-methyl-N-(4-propoxyphenyl)pyrazolo[3,4-b]pyridine-5-carboxamide is CCCCOc1ccc(NC(=O)c2cnc3c(c(C)nn3-c3ccc(F)cc3)c2Cl)cc1.CCCOc1ccc(NC(=O)c2cnc3c(c(C)nn3-c3ccc(F)cc3)c2Cl)cc1.CCOc1ccc(NC(=O)c2cnc3c(c(C)nn3-c3ccc(F)cc3)c2Cl)cc1.Cc1nn(-c2ccc(F)cc2)c2ncc(C(=O)Nc3ccc(O)cc3)c(Cl)c12.Cc1nn(-c2ccc(F)cc2)c2ncc(C(=O)Nc3ccc(OC(C)C)cc3)c(Cl)c12.

What is the InChIKey of N-(4-butoxyphenyl)-4-chloro-1-(4-fluorophenyl)-3-methylpyrazolo[3,4-b]pyridine-5-carboxamide;4-chloro-N-(4-ethoxyphenyl)-1-(4-fluorophenyl)-3-methylpyrazolo[3,4-b]pyridine-5-carboxamide;4-chloro-1-(4-fluorophenyl)-N-(4-hydroxyphenyl)-3-methylpyrazolo[3,4-b]pyridine-5-carboxamide;4-chloro-1-(4-fluorophenyl)-3-methyl-N-(4-propan-2-yloxyphenyl)pyrazolo[3,4-b]pyridine-5-carboxamide;4-chloro-1-(4-fluorophenyl)-3-methyl-N-(4-propoxyphenyl)pyrazolo[3,4-b]pyridine-5-carboxamide?

The InChIKey is SYONWJLGVSBVGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22ClFN4O2.2C23H20ClFN4O2.C22H18ClFN4O2.C20H14ClFN4O2/c1-3-4-13-32-19-11-7-17(8-12-19)28-24(31)20-14-27-23-21(22(20)25)15(2)29-30(23)18-9-5-16(26)6-10-18;1-13(2)31-18-10-6-16(7-11-18)27-23(30)19-12-26-22-20(21(19)24)14(3)28-29(22)17-8-4-15(25)5-9-17;1-3-12-31-18-10-6-16(7-11-18)27-23(30)19-13-26-22-20(21(19)24)14(2)28-29(22)17-8-4-15(25)5-9-17;1-3-30-17-10-6-15(7-11-17)26-22(29)18-12-25-21-19(20(18)23)13(2)27-28(21)16-8-4-14(24)5-9-16;1-11-17-18(21)16(20(28)24-13-4-8-15(27)9-5-13)10-23-19(17)26(25-11)14-6-2-12(22)3-7-14/h5-12,14H,3-4,13H2,1-2H3,(H,28,31);4-13H,1-3H3,(H,27,30);4-11,13H,3,12H2,1-2H3,(H,27,30);4-12H,3H2,1-2H3,(H,26,29);2-10,27H,1H3,(H,24,28).

What are the key properties of N-(4-butoxyphenyl)-4-chloro-1-(4-fluorophenyl)-3-methylpyrazolo[3,4-b]pyridine-5-carboxamide;4-chloro-N-(4-ethoxyphenyl)-1-(4-fluorophenyl)-3-methylpyrazolo[3,4-b]pyridine-5-carboxamide;4-chloro-1-(4-fluorophenyl)-N-(4-hydroxyphenyl)-3-methylpyrazolo[3,4-b]pyridine-5-carboxamide;4-chloro-1-(4-fluorophenyl)-3-methyl-N-(4-propan-2-yloxyphenyl)pyrazolo[3,4-b]pyridine-5-carboxamide;4-chloro-1-(4-fluorophenyl)-3-methyl-N-(4-propoxyphenyl)pyrazolo[3,4-b]pyridine-5-carboxamide?

N-(4-butoxyphenyl)-4-chloro-1-(4-fluorophenyl)-3-methylpyrazolo[3,4-b]pyridine-5-carboxamide;4-chloro-N-(4-ethoxyphenyl)-1-(4-fluorophenyl)-3-methylpyrazolo[3,4-b]pyridine-5-carboxamide;4-chloro-1-(4-fluorophenyl)-N-(4-hydroxyphenyl)-3-methylpyrazolo[3,4-b]pyridine-5-carboxamide;4-chloro-1-(4-fluorophenyl)-3-methyl-N-(4-propan-2-yloxyphenyl)pyrazolo[3,4-b]pyridine-5-carboxamide;4-chloro-1-(4-fluorophenyl)-3-methyl-N-(4-propoxyphenyl)pyrazolo[3,4-b]pyridine-5-carboxamide has a molecular weight of 2152.37 g/mol, XLogP of 26.73, 26 rotatable bonds, 6 hydrogen bond donors, and 25 hydrogen bond acceptors.

Where does this data come from?

All data for N-(4-butoxyphenyl)-4-chloro-1-(4-fluorophenyl)-3-methylpyrazolo[3,4-b]pyridine-5-carboxamide;4-chloro-N-(4-ethoxyphenyl)-1-(4-fluorophenyl)-3-methylpyrazolo[3,4-b]pyridine-5-carboxamide;4-chloro-1-(4-fluorophenyl)-N-(4-hydroxyphenyl)-3-methylpyrazolo[3,4-b]pyridine-5-carboxamide;4-chloro-1-(4-fluorophenyl)-3-methyl-N-(4-propan-2-yloxyphenyl)pyrazolo[3,4-b]pyridine-5-carboxamide;4-chloro-1-(4-fluorophenyl)-3-methyl-N-(4-propoxyphenyl)pyrazolo[3,4-b]pyridine-5-carboxamide is sourced from PubChem (CID 160973604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).