4-chloro-N-[4-(dimethylamino)phenyl]-3-methyl-1-phenylpyrazolo[3,4-b]pyridine-5-carboxamide;4-chloro-N-(4-isocyanophenyl)-3-methyl-1-phenylpyrazolo[3,4-b]pyridine-5-carboxamide;4-chloro-N-(4-methoxyphenyl)-3-methyl-1-phenylpyrazolo[3,4-b]pyridine-5-carboxamide;4-chloro-3-methyl-N-[4-(2-oxopropyl)phenyl]-1-phenylpyrazolo[3,4-b]pyridine-5-carboxamide;4-chloro-3-methyl-1-phenyl-N-[4-(2H-tetrazol-5-yl)phenyl]pyrazolo[3,4-b]pyridine-5-carboxamide;ethyl 4-[(4-chloro-3-methyl-1-phenylpyrazolo[3,4-b]pyridine-5-carbonyl)amino]benzoate

C131H104Cl6N30O10 — CID 157363433

About 4-chloro-N-[4-(dimethylamino)phenyl]-3-methyl-1-phenylpyrazolo[3,4-b]pyridine-5-carboxamide;4-chloro-N-(4-isocyanophenyl)-3-methyl-1-phenylpyrazolo[3,4-b]pyridine-5-carboxamide;4-chloro-N-(4-methoxyphenyl)-3-methyl-1-phenylpyrazolo[3,4-b]pyridine-5-carboxamide;4-chloro-3-methyl-N-[4-(2-oxopropyl)phenyl]-1-phenylpyrazolo[3,4-b]pyridine-5-carboxamide;4-chloro-3-methyl-1-phenyl-N-[4-(2H-tetrazol-5-yl)phenyl]pyrazolo[3,4-b]pyridine-5-carboxamide;ethyl 4-[(4-chloro-3-methyl-1-phenylpyrazolo[3,4-b]pyridine-5-carbonyl)amino]benzoate

4-chloro-N-[4-(dimethylamino)phenyl]-3-methyl-1-phenylpyrazolo[3,4-b]pyridine-5-carboxamide;4-chloro-N-(4-isocyanophenyl)-3-methyl-1-phenylpyrazolo[3,4-b]pyridine-5-carboxamide;4-chloro-N-(4-methoxyphenyl)-3-methyl-1-phenylpyrazolo[3,4-b]pyridine-5-carboxamide;4-chloro-3-methyl-N-[4-(2-oxopropyl)phenyl]-1-phenylpyrazolo[3,4-b]pyridine-5-carboxamide;4-chloro-3-methyl-1-phenyl-N-[4-(2H-tetrazol-5-yl)phenyl]pyrazolo[3,4-b]pyridine-5-carboxamide;ethyl 4-[(4-chloro-3-methyl-1-phenylpyrazolo[3,4-b]pyridine-5-carbonyl)amino]benzoate (PubChem CID 157363433) has the molecular formula C131H104Cl6N30O10 and a molecular weight of 2471.19 g/mol. Its IUPAC name is 4-chloro-N-[4-(dimethylamino)phenyl]-3-methyl-1-phenylpyrazolo[3,4-b]pyridine-5-carboxamide;4-chloro-N-(4-isocyanophenyl)-3-methyl-1-phenylpyrazolo[3,4-b]pyridine-5-carboxamide;4-chloro-N-(4-methoxyphenyl)-3-methyl-1-phenylpyrazolo[3,4-b]pyridine-5-carboxamide;4-chloro-3-methyl-N-[4-(2-oxopropyl)phenyl]-1-phenylpyrazolo[3,4-b]pyridine-5-carboxamide;4-chloro-3-methyl-1-phenyl-N-[4-(2H-tetrazol-5-yl)phenyl]pyrazolo[3,4-b]pyridine-5-carboxamide;ethyl 4-[(4-chloro-3-methyl-1-phenylpyrazolo[3,4-b]pyridine-5-carbonyl)amino]benzoate.

Molecular Properties

• Compound Name: 4-chloro-N-[4-(dimethylamino)phenyl]-3-methyl-1-phenylpyrazolo[3,4-b]pyridine-5-carboxamide;4-chloro-N-(4-isocyanophenyl)-3-methyl-1-phenylpyrazolo[3,4-b]pyridine-5-carboxamide;4-chloro-N-(4-methoxyphenyl)-3-methyl-1-phenylpyrazolo[3,4-b]pyridine-5-carboxamide;4-chloro-3-methyl-N-[4-(2-oxopropyl)phenyl]-1-phenylpyrazolo[3,4-b]pyridine-5-carboxamide;4-chloro-3-methyl-1-phenyl-N-[4-(2H-tetrazol-5-yl)phenyl]pyrazolo[3,4-b]pyridine-5-carboxamide;ethyl 4-[(4-chloro-3-methyl-1-phenylpyrazolo[3,4-b]pyridine-5-carbonyl)amino]benzoate
• PubChem CID: 157363433
• Molecular Formula: C131H104Cl6N30O10
• Molecular Weight: 2471.19 g/mol
• Exact Mass: 2466.67
• IUPAC Name: 4-chloro-N-[4-(dimethylamino)phenyl]-3-methyl-1-phenylpyrazolo[3,4-b]pyridine-5-carboxamide;4-chloro-N-(4-isocyanophenyl)-3-methyl-1-phenylpyrazolo[3,4-b]pyridine-5-carboxamide;4-chloro-N-(4-methoxyphenyl)-3-methyl-1-phenylpyrazolo[3,4-b]pyridine-5-carboxamide;4-chloro-3-methyl-N-[4-(2-oxopropyl)phenyl]-1-phenylpyrazolo[3,4-b]pyridine-5-carboxamide;4-chloro-3-methyl-1-phenyl-N-[4-(2H-tetrazol-5-yl)phenyl]pyrazolo[3,4-b]pyridine-5-carboxamide;ethyl 4-[(4-chloro-3-methyl-1-phenylpyrazolo[3,4-b]pyridine-5-carbonyl)amino]benzoate
• SMILES: CC(=O)Cc1ccc(NC(=O)c2cnc3c(c(C)nn3-c3ccccc3)c2Cl)cc1.CCOC(=O)c1ccc(NC(=O)c2cnc3c(c(C)nn3-c3ccccc3)c2Cl)cc1.COc1ccc(NC(=O)c2cnc3c(c(C)nn3-c3ccccc3)c2Cl)cc1.Cc1nn(-c2ccccc2)c2ncc(C(=O)Nc3ccc(-c4nn[nH]n4)cc3)c(Cl)c12.Cc1nn(-c2ccccc2)c2ncc(C(=O)Nc3ccc(N(C)C)cc3)c(Cl)c12.[C-]#[N+]c1ccc(NC(=O)c2cnc3c(c(C)nn3-c3ccccc3)c2Cl)cc1
• InChI: InChI=1S/C23H19ClN4O3.C23H19ClN4O2.C22H20ClN5O.C21H15ClN8O.C21H14ClN5O.C21H17ClN4O2/c1-3-31-23(30)15-9-11-16(12-10-15)26-22(29)18-13-25-21-19(20(18)24)14(2)27-28(21)17-7-5-4-6-8-17;1-14(29)12-16-8-10-17(11-9-16)26-23(30)19-13-25-22-20(21(19)24)15(2)27-28(22)18-6-4-3-5-7-18;1-14-19-20(23)18(22(29)25-15-9-11-16(12-10-15)27(2)3)13-24-21(19)28(26-14)17-7-5-4-6-8-17;1-12-17-18(22)16(11-23-20(17)30(27-12)15-5-3-2-4-6-15)21(31)24-14-9-7-13(8-10-14)19-25-28-29-26-19;1-13-18-19(22)17(21(28)25-15-10-8-14(23-2)9-11-15)12-24-20(18)27(26-13)16-6-4-3-5-7-16;1-13-18-19(22)17(21(27)24-14-8-10-16(28-2)11-9-14)12-23-20(18)26(25-13)15-6-4-3-5-7-15/h4-13H,3H2,1-2H3,(H,26,29);3-11,13H,12H2,1-2H3,(H,26,30);4-13H,1-3H3,(H,25,29);2-11H,1H3,(H,24,31)(H,25,26,28,29);3-12H,1H3,(H,25,28);3-12H,1-2H3,(H,24,27)
• InChIKey: BIXCJIOXRXVHFR-UHFFFAOYSA-N
• XLogP: 27.92
• TPSA: 473.52 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 32
• Rotatable Bonds: 25
• Heavy Atoms: 177
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2471.19
LogP ≤ 5	27.92
H-Bond Donors ≤ 5	7
H-Bond Acceptors ≤ 10	32

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[4-(dimethylamino)phenyl]-3-methyl-1-phenylpyrazolo[3,4-b]pyridine-5-carboxamide;4-chloro-N-(4-isocyanophenyl)-3-methyl-1-phenylpyrazolo[3,4-b]pyridine-5-carboxamide;4-chloro-N-(4-methoxyphenyl)-3-methyl-1-phenylpyrazolo[3,4-b]pyridine-5-carboxamide;4-chloro-3-methyl-N-[4-(2-oxopropyl)phenyl]-1-phenylpyrazolo[3,4-b]pyridine-5-carboxamide;4-chloro-3-methyl-1-phenyl-N-[4-(2H-tetrazol-5-yl)phenyl]pyrazolo[3,4-b]pyridine-5-carboxamide;ethyl 4-[(4-chloro-3-methyl-1-phenylpyrazolo[3,4-b]pyridine-5-carbonyl)amino]benzoate?

The IUPAC name of 4-chloro-N-[4-(dimethylamino)phenyl]-3-methyl-1-phenylpyrazolo[3,4-b]pyridine-5-carboxamide;4-chloro-N-(4-isocyanophenyl)-3-methyl-1-phenylpyrazolo[3,4-b]pyridine-5-carboxamide;4-chloro-N-(4-methoxyphenyl)-3-methyl-1-phenylpyrazolo[3,4-b]pyridine-5-carboxamide;4-chloro-3-methyl-N-[4-(2-oxopropyl)phenyl]-1-phenylpyrazolo[3,4-b]pyridine-5-carboxamide;4-chloro-3-methyl-1-phenyl-N-[4-(2H-tetrazol-5-yl)phenyl]pyrazolo[3,4-b]pyridine-5-carboxamide;ethyl 4-[(4-chloro-3-methyl-1-phenylpyrazolo[3,4-b]pyridine-5-carbonyl)amino]benzoate (CID 157363433) is 4-chloro-N-[4-(dimethylamino)phenyl]-3-methyl-1-phenylpyrazolo[3,4-b]pyridine-5-carboxamide;4-chloro-N-(4-isocyanophenyl)-3-methyl-1-phenylpyrazolo[3,4-b]pyridine-5-carboxamide;4-chloro-N-(4-methoxyphenyl)-3-methyl-1-phenylpyrazolo[3,4-b]pyridine-5-carboxamide;4-chloro-3-methyl-N-[4-(2-oxopropyl)phenyl]-1-phenylpyrazolo[3,4-b]pyridine-5-carboxamide;4-chloro-3-methyl-1-phenyl-N-[4-(2H-tetrazol-5-yl)phenyl]pyrazolo[3,4-b]pyridine-5-carboxamide;ethyl 4-[(4-chloro-3-methyl-1-phenylpyrazolo[3,4-b]pyridine-5-carbonyl)amino]benzoate.

What is the SMILES notation for 4-chloro-N-[4-(dimethylamino)phenyl]-3-methyl-1-phenylpyrazolo[3,4-b]pyridine-5-carboxamide;4-chloro-N-(4-isocyanophenyl)-3-methyl-1-phenylpyrazolo[3,4-b]pyridine-5-carboxamide;4-chloro-N-(4-methoxyphenyl)-3-methyl-1-phenylpyrazolo[3,4-b]pyridine-5-carboxamide;4-chloro-3-methyl-N-[4-(2-oxopropyl)phenyl]-1-phenylpyrazolo[3,4-b]pyridine-5-carboxamide;4-chloro-3-methyl-1-phenyl-N-[4-(2H-tetrazol-5-yl)phenyl]pyrazolo[3,4-b]pyridine-5-carboxamide;ethyl 4-[(4-chloro-3-methyl-1-phenylpyrazolo[3,4-b]pyridine-5-carbonyl)amino]benzoate?

The canonical SMILES for 4-chloro-N-[4-(dimethylamino)phenyl]-3-methyl-1-phenylpyrazolo[3,4-b]pyridine-5-carboxamide;4-chloro-N-(4-isocyanophenyl)-3-methyl-1-phenylpyrazolo[3,4-b]pyridine-5-carboxamide;4-chloro-N-(4-methoxyphenyl)-3-methyl-1-phenylpyrazolo[3,4-b]pyridine-5-carboxamide;4-chloro-3-methyl-N-[4-(2-oxopropyl)phenyl]-1-phenylpyrazolo[3,4-b]pyridine-5-carboxamide;4-chloro-3-methyl-1-phenyl-N-[4-(2H-tetrazol-5-yl)phenyl]pyrazolo[3,4-b]pyridine-5-carboxamide;ethyl 4-[(4-chloro-3-methyl-1-phenylpyrazolo[3,4-b]pyridine-5-carbonyl)amino]benzoate is CC(=O)Cc1ccc(NC(=O)c2cnc3c(c(C)nn3-c3ccccc3)c2Cl)cc1.CCOC(=O)c1ccc(NC(=O)c2cnc3c(c(C)nn3-c3ccccc3)c2Cl)cc1.COc1ccc(NC(=O)c2cnc3c(c(C)nn3-c3ccccc3)c2Cl)cc1.Cc1nn(-c2ccccc2)c2ncc(C(=O)Nc3ccc(-c4nn[nH]n4)cc3)c(Cl)c12.Cc1nn(-c2ccccc2)c2ncc(C(=O)Nc3ccc(N(C)C)cc3)c(Cl)c12.[C-]#[N+]c1ccc(NC(=O)c2cnc3c(c(C)nn3-c3ccccc3)c2Cl)cc1.

What is the InChIKey of 4-chloro-N-[4-(dimethylamino)phenyl]-3-methyl-1-phenylpyrazolo[3,4-b]pyridine-5-carboxamide;4-chloro-N-(4-isocyanophenyl)-3-methyl-1-phenylpyrazolo[3,4-b]pyridine-5-carboxamide;4-chloro-N-(4-methoxyphenyl)-3-methyl-1-phenylpyrazolo[3,4-b]pyridine-5-carboxamide;4-chloro-3-methyl-N-[4-(2-oxopropyl)phenyl]-1-phenylpyrazolo[3,4-b]pyridine-5-carboxamide;4-chloro-3-methyl-1-phenyl-N-[4-(2H-tetrazol-5-yl)phenyl]pyrazolo[3,4-b]pyridine-5-carboxamide;ethyl 4-[(4-chloro-3-methyl-1-phenylpyrazolo[3,4-b]pyridine-5-carbonyl)amino]benzoate?

The InChIKey is BIXCJIOXRXVHFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19ClN4O3.C23H19ClN4O2.C22H20ClN5O.C21H15ClN8O.C21H14ClN5O.C21H17ClN4O2/c1-3-31-23(30)15-9-11-16(12-10-15)26-22(29)18-13-25-21-19(20(18)24)14(2)27-28(21)17-7-5-4-6-8-17;1-14(29)12-16-8-10-17(11-9-16)26-23(30)19-13-25-22-20(21(19)24)15(2)27-28(22)18-6-4-3-5-7-18;1-14-19-20(23)18(22(29)25-15-9-11-16(12-10-15)27(2)3)13-24-21(19)28(26-14)17-7-5-4-6-8-17;1-12-17-18(22)16(11-23-20(17)30(27-12)15-5-3-2-4-6-15)21(31)24-14-9-7-13(8-10-14)19-25-28-29-26-19;1-13-18-19(22)17(21(28)25-15-10-8-14(23-2)9-11-15)12-24-20(18)27(26-13)16-6-4-3-5-7-16;1-13-18-19(22)17(21(27)24-14-8-10-16(28-2)11-9-14)12-23-20(18)26(25-13)15-6-4-3-5-7-15/h4-13H,3H2,1-2H3,(H,26,29);3-11,13H,12H2,1-2H3,(H,26,30);4-13H,1-3H3,(H,25,29);2-11H,1H3,(H,24,31)(H,25,26,28,29);3-12H,1H3,(H,25,28);3-12H,1-2H3,(H,24,27).

What are the key properties of 4-chloro-N-[4-(dimethylamino)phenyl]-3-methyl-1-phenylpyrazolo[3,4-b]pyridine-5-carboxamide;4-chloro-N-(4-isocyanophenyl)-3-methyl-1-phenylpyrazolo[3,4-b]pyridine-5-carboxamide;4-chloro-N-(4-methoxyphenyl)-3-methyl-1-phenylpyrazolo[3,4-b]pyridine-5-carboxamide;4-chloro-3-methyl-N-[4-(2-oxopropyl)phenyl]-1-phenylpyrazolo[3,4-b]pyridine-5-carboxamide;4-chloro-3-methyl-1-phenyl-N-[4-(2H-tetrazol-5-yl)phenyl]pyrazolo[3,4-b]pyridine-5-carboxamide;ethyl 4-[(4-chloro-3-methyl-1-phenylpyrazolo[3,4-b]pyridine-5-carbonyl)amino]benzoate?

4-chloro-N-[4-(dimethylamino)phenyl]-3-methyl-1-phenylpyrazolo[3,4-b]pyridine-5-carboxamide;4-chloro-N-(4-isocyanophenyl)-3-methyl-1-phenylpyrazolo[3,4-b]pyridine-5-carboxamide;4-chloro-N-(4-methoxyphenyl)-3-methyl-1-phenylpyrazolo[3,4-b]pyridine-5-carboxamide;4-chloro-3-methyl-N-[4-(2-oxopropyl)phenyl]-1-phenylpyrazolo[3,4-b]pyridine-5-carboxamide;4-chloro-3-methyl-1-phenyl-N-[4-(2H-tetrazol-5-yl)phenyl]pyrazolo[3,4-b]pyridine-5-carboxamide;ethyl 4-[(4-chloro-3-methyl-1-phenylpyrazolo[3,4-b]pyridine-5-carbonyl)amino]benzoate has a molecular weight of 2471.19 g/mol, XLogP of 27.92, 25 rotatable bonds, 7 hydrogen bond donors, and 32 hydrogen bond acceptors.

Where does this data come from?

All data for 4-chloro-N-[4-(dimethylamino)phenyl]-3-methyl-1-phenylpyrazolo[3,4-b]pyridine-5-carboxamide;4-chloro-N-(4-isocyanophenyl)-3-methyl-1-phenylpyrazolo[3,4-b]pyridine-5-carboxamide;4-chloro-N-(4-methoxyphenyl)-3-methyl-1-phenylpyrazolo[3,4-b]pyridine-5-carboxamide;4-chloro-3-methyl-N-[4-(2-oxopropyl)phenyl]-1-phenylpyrazolo[3,4-b]pyridine-5-carboxamide;4-chloro-3-methyl-1-phenyl-N-[4-(2H-tetrazol-5-yl)phenyl]pyrazolo[3,4-b]pyridine-5-carboxamide;ethyl 4-[(4-chloro-3-methyl-1-phenylpyrazolo[3,4-b]pyridine-5-carbonyl)amino]benzoate is sourced from PubChem (CID 157363433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).