4-chloro-N-(4-chlorophenyl)-1-[[1-[(4-methoxyphenyl)methyl]-5-methyltriazol-4-yl]methyl]-3-methylpyrazolo[3,4-b]pyridine-5-carboxamide;4-chloro-N-(4-chlorophenyl)-3-methyl-1-[(5-methyl-2H-triazol-4-yl)methyl]pyrazolo[3,4-b]pyridine-5-carboxamide;4-chloro-1-[[1-[(4-methoxyphenyl)methyl]-5-methyltriazol-4-yl]methyl]-3-methyl-N-[4-(trifluoromethyl)phenyl]pyrazolo[3,4-b]pyridine-5-carboxamide;4-chloro-N-(4-methoxyphenyl)-3-methyl-1-[(5-methyl-2H-triazol-4-yl)methyl]pyrazolo[3,4-b]pyridine-5-carboxamide

C90H79Cl6F3N28O7 — CID 161488503

IUPAC4-chloro-N-(4-chlorophenyl)-1-[[1-[(4-methoxyphenyl)methyl]-5-methyltriazol-4-yl]methyl]-3-methylpyrazolo[3,4-b]pyridine-5-carboxamide;4-chloro-N-(4-chlorophenyl)-3-methyl-1-[(5-methyl-2H-triazol-4-yl)methyl]pyrazolo[3,4-b]pyridine-5-carboxamide;4-chloro-1-[[1-[(4-methoxyphenyl)methyl]-5-methyltriazol-4-yl]methyl]-3-methyl-N-[4-(trifluoromethyl)phenyl]pyrazolo[3,4-b]pyridine-5-carboxamide;4-chloro-N-(4-methoxyphenyl)-3-methyl-1-[(5-methyl-2H-triazol-4-yl)methyl]pyrazolo[3,4-b]pyridine-5-carboxamide
SMILESCOc1ccc(Cn2nnc(Cn3nc(C)c4c(Cl)c(C(=O)Nc5ccc(C(F)(F)F)cc5)cnc43)c2C)cc1.COc1ccc(Cn2nnc(Cn3nc(C)c4c(Cl)c(C(=O)Nc5ccc(Cl)cc5)cnc43)c2C)cc1.COc1ccc(NC(=O)c2cnc3c(c(C)nn3Cc3n[nH]nc3C)c2Cl)cc1.Cc1n[nH]nc1Cn1nc(C)c2c(Cl)c(C(=O)Nc3ccc(Cl)cc3)cnc21
InChIInChI=1S/C27H23ClF3N7O2.C26H23Cl2N7O2.C19H18ClN7O2.C18H15Cl2N7O/c1-15-23-24(28)21(26(39)33-19-8-6-18(7-9-19)27(29,30)31)12-32-25(23)38(35-15)14-22-16(2)37(36-34-22)13-17-4-10-20(40-3)11-5-17;1-15-23-24(28)21(26(36)30-19-8-6-18(27)7-9-19)12-29-25(23)35(32-15)14-22-16(2)34(33-31-22)13-17-4-10-20(37-3)11-5-17;1-10-15(24-26-23-10)9-27-18-16(11(2)25-27)17(20)14(8-21-18)19(28)22-12-4-6-13(29-3)7-5-12;1-9-14(24-26-23-9)8-27-17-15(10(2)25-27)16(20)13(7-21-17)18(28)22-12-5-3-11(19)4-6-12/h4-12H,13-14H2,1-3H3,(H,33,39);4-12H,13-14H2,1-3H3,(H,30,36);4-8H,9H2,1-3H3,(H,22,28)(H,23,24,26);3-7H,8H2,1-2H3,(H,22,28)(H,23,24,26)
InChIKeyWFHGDGCGQOEQHO-UHFFFAOYSA-N
MW1934.52 g/mol
LogP17.88
Rot. Bonds23

About 4-chloro-N-(4-chlorophenyl)-1-[[1-[(4-methoxyphenyl)methyl]-5-methyltriazol-4-yl]methyl]-3-methylpyrazolo[3,4-b]pyridine-5-carboxamide;4-chloro-N-(4-chlorophenyl)-3-methyl-1-[(5-methyl-2H-triazol-4-yl)methyl]pyrazolo[3,4-b]pyridine-5-carboxamide;4-chloro-1-[[1-[(4-methoxyphenyl)methyl]-5-methyltriazol-4-yl]methyl]-3-methyl-N-[4-(trifluoromethyl)phenyl]pyrazolo[3,4-b]pyridine-5-carboxamide;4-chloro-N-(4-methoxyphenyl)-3-methyl-1-[(5-methyl-2H-triazol-4-yl)methyl]pyrazolo[3,4-b]pyridine-5-carboxamide

4-chloro-N-(4-chlorophenyl)-1-[[1-[(4-methoxyphenyl)methyl]-5-methyltriazol-4-yl]methyl]-3-methylpyrazolo[3,4-b]pyridine-5-carboxamide;4-chloro-N-(4-chlorophenyl)-3-methyl-1-[(5-methyl-2H-triazol-4-yl)methyl]pyrazolo[3,4-b]pyridine-5-carboxamide;4-chloro-1-[[1-[(4-methoxyphenyl)methyl]-5-methyltriazol-4-yl]methyl]-3-methyl-N-[4-(trifluoromethyl)phenyl]pyrazolo[3,4-b]pyridine-5-carboxamide;4-chloro-N-(4-methoxyphenyl)-3-methyl-1-[(5-methyl-2H-triazol-4-yl)methyl]pyrazolo[3,4-b]pyridine-5-carboxamide (PubChem CID 161488503) has the molecular formula C90H79Cl6F3N28O7 and a molecular weight of 1934.52 g/mol. Its IUPAC name is 4-chloro-N-(4-chlorophenyl)-1-[[1-[(4-methoxyphenyl)methyl]-5-methyltriazol-4-yl]methyl]-3-methylpyrazolo[3,4-b]pyridine-5-carboxamide;4-chloro-N-(4-chlorophenyl)-3-methyl-1-[(5-methyl-2H-triazol-4-yl)methyl]pyrazolo[3,4-b]pyridine-5-carboxamide;4-chloro-1-[[1-[(4-methoxyphenyl)methyl]-5-methyltriazol-4-yl]methyl]-3-methyl-N-[4-(trifluoromethyl)phenyl]pyrazolo[3,4-b]pyridine-5-carboxamide;4-chloro-N-(4-methoxyphenyl)-3-methyl-1-[(5-methyl-2H-triazol-4-yl)methyl]pyrazolo[3,4-b]pyridine-5-carboxamide.

Molecular Properties

Compound Name4-chloro-N-(4-chlorophenyl)-1-[[1-[(4-methoxyphenyl)methyl]-5-methyltriazol-4-yl]methyl]-3-methylpyrazolo[3,4-b]pyridine-5-carboxamide;4-chloro-N-(4-chlorophenyl)-3-methyl-1-[(5-methyl-2H-triazol-4-yl)methyl]pyrazolo[3,4-b]pyridine-5-carboxamide;4-chloro-1-[[1-[(4-methoxyphenyl)methyl]-5-methyltriazol-4-yl]methyl]-3-methyl-N-[4-(trifluoromethyl)phenyl]pyrazolo[3,4-b]pyridine-5-carboxamide;4-chloro-N-(4-methoxyphenyl)-3-methyl-1-[(5-methyl-2H-triazol-4-yl)methyl]pyrazolo[3,4-b]pyridine-5-carboxamide
PubChem CID161488503
Molecular FormulaC90H79Cl6F3N28O7
Molecular Weight1934.52 g/mol
Exact Mass1930.48
IUPAC Name4-chloro-N-(4-chlorophenyl)-1-[[1-[(4-methoxyphenyl)methyl]-5-methyltriazol-4-yl]methyl]-3-methylpyrazolo[3,4-b]pyridine-5-carboxamide;4-chloro-N-(4-chlorophenyl)-3-methyl-1-[(5-methyl-2H-triazol-4-yl)methyl]pyrazolo[3,4-b]pyridine-5-carboxamide;4-chloro-1-[[1-[(4-methoxyphenyl)methyl]-5-methyltriazol-4-yl]methyl]-3-methyl-N-[4-(trifluoromethyl)phenyl]pyrazolo[3,4-b]pyridine-5-carboxamide;4-chloro-N-(4-methoxyphenyl)-3-methyl-1-[(5-methyl-2H-triazol-4-yl)methyl]pyrazolo[3,4-b]pyridine-5-carboxamide
SMILESCOc1ccc(Cn2nnc(Cn3nc(C)c4c(Cl)c(C(=O)Nc5ccc(C(F)(F)F)cc5)cnc43)c2C)cc1.COc1ccc(Cn2nnc(Cn3nc(C)c4c(Cl)c(C(=O)Nc5ccc(Cl)cc5)cnc43)c2C)cc1.COc1ccc(NC(=O)c2cnc3c(c(C)nn3Cc3n[nH]nc3C)c2Cl)cc1.Cc1n[nH]nc1Cn1nc(C)c2c(Cl)c(C(=O)Nc3ccc(Cl)cc3)cnc21
InChIInChI=1S/C27H23ClF3N7O2.C26H23Cl2N7O2.C19H18ClN7O2.C18H15Cl2N7O/c1-15-23-24(28)21(26(39)33-19-8-6-18(7-9-19)27(29,30)31)12-32-25(23)38(35-15)14-22-16(2)37(36-34-22)13-17-4-10-20(40-3)11-5-17;1-15-23-24(28)21(26(36)30-19-8-6-18(27)7-9-19)12-29-25(23)35(32-15)14-22-16(2)34(33-31-22)13-17-4-10-20(37-3)11-5-17;1-10-15(24-26-23-10)9-27-18-16(11(2)25-27)17(20)14(8-21-18)19(28)22-12-4-6-13(29-3)7-5-12;1-9-14(24-26-23-9)8-27-17-15(10(2)25-27)16(20)13(7-21-17)18(28)22-12-5-3-11(19)4-6-12/h4-12H,13-14H2,1-3H3,(H,33,39);4-12H,13-14H2,1-3H3,(H,30,36);4-8H,9H2,1-3H3,(H,22,28)(H,23,24,26);3-7H,8H2,1-2H3,(H,22,28)(H,23,24,26)
InChIKeyWFHGDGCGQOEQHO-UHFFFAOYSA-N
XLogP17.88
TPSA411.49 Ų
H-Bond Donors6
H-Bond Acceptors29
Rotatable Bonds23
Heavy Atoms134
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001934.52
LogP ≤ 517.88
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1029

Analyze 4-chloro-N-(4-chlorophenyl)-1-[[1-[(4-methoxyphenyl)methyl]-5-methyltriazol-4-yl]methyl]-3-methylpyrazolo[3,4-b]pyridine-5-carboxamide;4-chloro-N-(4-chlorophenyl)-3-methyl-1-[(5-methyl-2H-triazol-4-yl)methyl]pyrazolo[3,4-b]pyridine-5-carboxamide;4-chloro-1-[[1-[(4-methoxyphenyl)methyl]-5-methyltriazol-4-yl]methyl]-3-methyl-N-[4-(trifluoromethyl)phenyl]pyrazolo[3,4-b]pyridine-5-carboxamide;4-chloro-N-(4-methoxyphenyl)-3-methyl-1-[(5-methyl-2H-triazol-4-yl)methyl]pyrazolo[3,4-b]pyridine-5-carboxamide with MolForge

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Related Compounds

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CID 122442760
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CID 122442843
US10272074, Example 419
CID 122442899
US10272074, Example 417
CID 122442618
US10272074, Example 418
CID 122442641
US10272074, Example 424
CID 122442653
US10272074, Example 453
CID 122442658
US10272074, Example 423
CID 122442774
4-chloro-1-[[1-[(4-methoxyphenyl)methyl]imidazol-4-yl]methyl]-3-methyl-N-[4-(trifluoromethyl)phenyl]pyrazolo[3,4-b]pyridine-5-carboxamide
CID 122458561
4-chloro-1-[[3-[(4-methoxyphenyl)methyl]-4-methyl-1,2-dihydrotriazol-5-yl]methyl]-3-methyl-N-[4-(trifluoromethyl)phenyl]pyrazolo[3,4-b]pyridine-5-carboxamide
CID 122458564
6-anilino-4-chloro-5-ethanimidoyl-N-phenylpyridine-3-carboxamide;4-chloro-N-[4-(2-methoxyethyl)phenyl]-3-methyl-1-phenylpyrazolo[3,4-b]pyridine-5-carboxamide;4-chloro-3-methyl-1-phenyl-N-[4-(trifluoromethoxy)phenyl]pyrazolo[3,4-b]pyridine-5-carboxamide;ethane
CID 145131124
2-chloropyridine;3,5-dimethyl-1H-pyrazole;2-ethyl-1H-imidazole;2-fluoropyridine;1H-indazole;1H-indole;2-methoxypyridine;2-methoxypyrimidine;N-methylbenzamide;bis(1-methylpyrazole);5-methyl-1H-pyrazole;3-methylpyridine;1H-pyrazole;pyridin-2-amine;pyridine;1H-pyridin-2-one;N-pyridin-2-ylacetamide;1H-pyrrole;5-(trifluoromethyl)-1H-pyrazole
CID 157289352

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-(4-chlorophenyl)-1-[[1-[(4-methoxyphenyl)methyl]-5-methyltriazol-4-yl]methyl]-3-methylpyrazolo[3,4-b]pyridine-5-carboxamide;4-chloro-N-(4-chlorophenyl)-3-methyl-1-[(5-methyl-2H-triazol-4-yl)methyl]pyrazolo[3,4-b]pyridine-5-carboxamide;4-chloro-1-[[1-[(4-methoxyphenyl)methyl]-5-methyltriazol-4-yl]methyl]-3-methyl-N-[4-(trifluoromethyl)phenyl]pyrazolo[3,4-b]pyridine-5-carboxamide;4-chloro-N-(4-methoxyphenyl)-3-methyl-1-[(5-methyl-2H-triazol-4-yl)methyl]pyrazolo[3,4-b]pyridine-5-carboxamide?
The IUPAC name of 4-chloro-N-(4-chlorophenyl)-1-[[1-[(4-methoxyphenyl)methyl]-5-methyltriazol-4-yl]methyl]-3-methylpyrazolo[3,4-b]pyridine-5-carboxamide;4-chloro-N-(4-chlorophenyl)-3-methyl-1-[(5-methyl-2H-triazol-4-yl)methyl]pyrazolo[3,4-b]pyridine-5-carboxamide;4-chloro-1-[[1-[(4-methoxyphenyl)methyl]-5-methyltriazol-4-yl]methyl]-3-methyl-N-[4-(trifluoromethyl)phenyl]pyrazolo[3,4-b]pyridine-5-carboxamide;4-chloro-N-(4-methoxyphenyl)-3-methyl-1-[(5-methyl-2H-triazol-4-yl)methyl]pyrazolo[3,4-b]pyridine-5-carboxamide (CID 161488503) is 4-chloro-N-(4-chlorophenyl)-1-[[1-[(4-methoxyphenyl)methyl]-5-methyltriazol-4-yl]methyl]-3-methylpyrazolo[3,4-b]pyridine-5-carboxamide;4-chloro-N-(4-chlorophenyl)-3-methyl-1-[(5-methyl-2H-triazol-4-yl)methyl]pyrazolo[3,4-b]pyridine-5-carboxamide;4-chloro-1-[[1-[(4-methoxyphenyl)methyl]-5-methyltriazol-4-yl]methyl]-3-methyl-N-[4-(trifluoromethyl)phenyl]pyrazolo[3,4-b]pyridine-5-carboxamide;4-chloro-N-(4-methoxyphenyl)-3-methyl-1-[(5-methyl-2H-triazol-4-yl)methyl]pyrazolo[3,4-b]pyridine-5-carboxamide.
What is the SMILES notation for 4-chloro-N-(4-chlorophenyl)-1-[[1-[(4-methoxyphenyl)methyl]-5-methyltriazol-4-yl]methyl]-3-methylpyrazolo[3,4-b]pyridine-5-carboxamide;4-chloro-N-(4-chlorophenyl)-3-methyl-1-[(5-methyl-2H-triazol-4-yl)methyl]pyrazolo[3,4-b]pyridine-5-carboxamide;4-chloro-1-[[1-[(4-methoxyphenyl)methyl]-5-methyltriazol-4-yl]methyl]-3-methyl-N-[4-(trifluoromethyl)phenyl]pyrazolo[3,4-b]pyridine-5-carboxamide;4-chloro-N-(4-methoxyphenyl)-3-methyl-1-[(5-methyl-2H-triazol-4-yl)methyl]pyrazolo[3,4-b]pyridine-5-carboxamide?
The canonical SMILES for 4-chloro-N-(4-chlorophenyl)-1-[[1-[(4-methoxyphenyl)methyl]-5-methyltriazol-4-yl]methyl]-3-methylpyrazolo[3,4-b]pyridine-5-carboxamide;4-chloro-N-(4-chlorophenyl)-3-methyl-1-[(5-methyl-2H-triazol-4-yl)methyl]pyrazolo[3,4-b]pyridine-5-carboxamide;4-chloro-1-[[1-[(4-methoxyphenyl)methyl]-5-methyltriazol-4-yl]methyl]-3-methyl-N-[4-(trifluoromethyl)phenyl]pyrazolo[3,4-b]pyridine-5-carboxamide;4-chloro-N-(4-methoxyphenyl)-3-methyl-1-[(5-methyl-2H-triazol-4-yl)methyl]pyrazolo[3,4-b]pyridine-5-carboxamide is COc1ccc(Cn2nnc(Cn3nc(C)c4c(Cl)c(C(=O)Nc5ccc(C(F)(F)F)cc5)cnc43)c2C)cc1.COc1ccc(Cn2nnc(Cn3nc(C)c4c(Cl)c(C(=O)Nc5ccc(Cl)cc5)cnc43)c2C)cc1.COc1ccc(NC(=O)c2cnc3c(c(C)nn3Cc3n[nH]nc3C)c2Cl)cc1.Cc1n[nH]nc1Cn1nc(C)c2c(Cl)c(C(=O)Nc3ccc(Cl)cc3)cnc21.
What is the InChIKey of 4-chloro-N-(4-chlorophenyl)-1-[[1-[(4-methoxyphenyl)methyl]-5-methyltriazol-4-yl]methyl]-3-methylpyrazolo[3,4-b]pyridine-5-carboxamide;4-chloro-N-(4-chlorophenyl)-3-methyl-1-[(5-methyl-2H-triazol-4-yl)methyl]pyrazolo[3,4-b]pyridine-5-carboxamide;4-chloro-1-[[1-[(4-methoxyphenyl)methyl]-5-methyltriazol-4-yl]methyl]-3-methyl-N-[4-(trifluoromethyl)phenyl]pyrazolo[3,4-b]pyridine-5-carboxamide;4-chloro-N-(4-methoxyphenyl)-3-methyl-1-[(5-methyl-2H-triazol-4-yl)methyl]pyrazolo[3,4-b]pyridine-5-carboxamide?
The InChIKey is WFHGDGCGQOEQHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H23ClF3N7O2.C26H23Cl2N7O2.C19H18ClN7O2.C18H15Cl2N7O/c1-15-23-24(28)21(26(39)33-19-8-6-18(7-9-19)27(29,30)31)12-32-25(23)38(35-15)14-22-16(2)37(36-34-22)13-17-4-10-20(40-3)11-5-17;1-15-23-24(28)21(26(36)30-19-8-6-18(27)7-9-19)12-29-25(23)35(32-15)14-22-16(2)34(33-31-22)13-17-4-10-20(37-3)11-5-17;1-10-15(24-26-23-10)9-27-18-16(11(2)25-27)17(20)14(8-21-18)19(28)22-12-4-6-13(29-3)7-5-12;1-9-14(24-26-23-9)8-27-17-15(10(2)25-27)16(20)13(7-21-17)18(28)22-12-5-3-11(19)4-6-12/h4-12H,13-14H2,1-3H3,(H,33,39);4-12H,13-14H2,1-3H3,(H,30,36);4-8H,9H2,1-3H3,(H,22,28)(H,23,24,26);3-7H,8H2,1-2H3,(H,22,28)(H,23,24,26).
What are the key properties of 4-chloro-N-(4-chlorophenyl)-1-[[1-[(4-methoxyphenyl)methyl]-5-methyltriazol-4-yl]methyl]-3-methylpyrazolo[3,4-b]pyridine-5-carboxamide;4-chloro-N-(4-chlorophenyl)-3-methyl-1-[(5-methyl-2H-triazol-4-yl)methyl]pyrazolo[3,4-b]pyridine-5-carboxamide;4-chloro-1-[[1-[(4-methoxyphenyl)methyl]-5-methyltriazol-4-yl]methyl]-3-methyl-N-[4-(trifluoromethyl)phenyl]pyrazolo[3,4-b]pyridine-5-carboxamide;4-chloro-N-(4-methoxyphenyl)-3-methyl-1-[(5-methyl-2H-triazol-4-yl)methyl]pyrazolo[3,4-b]pyridine-5-carboxamide?
4-chloro-N-(4-chlorophenyl)-1-[[1-[(4-methoxyphenyl)methyl]-5-methyltriazol-4-yl]methyl]-3-methylpyrazolo[3,4-b]pyridine-5-carboxamide;4-chloro-N-(4-chlorophenyl)-3-methyl-1-[(5-methyl-2H-triazol-4-yl)methyl]pyrazolo[3,4-b]pyridine-5-carboxamide;4-chloro-1-[[1-[(4-methoxyphenyl)methyl]-5-methyltriazol-4-yl]methyl]-3-methyl-N-[4-(trifluoromethyl)phenyl]pyrazolo[3,4-b]pyridine-5-carboxamide;4-chloro-N-(4-methoxyphenyl)-3-methyl-1-[(5-methyl-2H-triazol-4-yl)methyl]pyrazolo[3,4-b]pyridine-5-carboxamide has a molecular weight of 1934.52 g/mol, XLogP of 17.88, 23 rotatable bonds, 6 hydrogen bond donors, and 29 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-(4-chlorophenyl)-1-[[1-[(4-methoxyphenyl)methyl]-5-methyltriazol-4-yl]methyl]-3-methylpyrazolo[3,4-b]pyridine-5-carboxamide;4-chloro-N-(4-chlorophenyl)-3-methyl-1-[(5-methyl-2H-triazol-4-yl)methyl]pyrazolo[3,4-b]pyridine-5-carboxamide;4-chloro-1-[[1-[(4-methoxyphenyl)methyl]-5-methyltriazol-4-yl]methyl]-3-methyl-N-[4-(trifluoromethyl)phenyl]pyrazolo[3,4-b]pyridine-5-carboxamide;4-chloro-N-(4-methoxyphenyl)-3-methyl-1-[(5-methyl-2H-triazol-4-yl)methyl]pyrazolo[3,4-b]pyridine-5-carboxamide is sourced from PubChem (CID 161488503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).