C122H96N30O9 — CID 162171218
5-[5-(azetidin-1-ylmethyl)-3-pyridinyl]-N-(4-cyanophenyl)-1H-indazole-3-carboxamide;N-(4-cyanophenyl)-5-[5-(cyclopropanecarbonylamino)-3-pyridinyl]-1H-indazole-3-carboxamide;N-(4-cyanophenyl)-5-[5-(dimethylcarbamoylamino)-3-pyridinyl]-1H-indazole-3-carboxamide;N-(4-cyanophenyl)-5-[5-(morpholin-4-ylmethyl)-3-pyridinyl]-1H-indazole-3-carboxamide;N-(4-cyanophenyl)-5-(5-phenoxy-3-pyridinyl)-1H-indazole-3-carboxamide (PubChem CID 162171218) has the molecular formula C122H96N30O9 and a molecular weight of 2126.31 g/mol. Its IUPAC name is 5-[5-(azetidin-1-ylmethyl)-3-pyridinyl]-N-(4-cyanophenyl)-1H-indazole-3-carboxamide;N-(4-cyanophenyl)-5-[5-(cyclopropanecarbonylamino)-3-pyridinyl]-1H-indazole-3-carboxamide;N-(4-cyanophenyl)-5-[5-(dimethylcarbamoylamino)-3-pyridinyl]-1H-indazole-3-carboxamide;N-(4-cyanophenyl)-5-[5-(morpholin-4-ylmethyl)-3-pyridinyl]-1H-indazole-3-carboxamide;N-(4-cyanophenyl)-5-(5-phenoxy-3-pyridinyl)-1H-indazole-3-carboxamide.
| Compound Name | 5-[5-(azetidin-1-ylmethyl)-3-pyridinyl]-N-(4-cyanophenyl)-1H-indazole-3-carboxamide;N-(4-cyanophenyl)-5-[5-(cyclopropanecarbonylamino)-3-pyridinyl]-1H-indazole-3-carboxamide;N-(4-cyanophenyl)-5-[5-(dimethylcarbamoylamino)-3-pyridinyl]-1H-indazole-3-carboxamide;N-(4-cyanophenyl)-5-[5-(morpholin-4-ylmethyl)-3-pyridinyl]-1H-indazole-3-carboxamide;N-(4-cyanophenyl)-5-(5-phenoxy-3-pyridinyl)-1H-indazole-3-carboxamide |
|---|---|
| PubChem CID | 162171218 |
| Molecular Formula | C122H96N30O9 |
| Molecular Weight | 2126.31 g/mol |
| Exact Mass | 2124.80 |
| IUPAC Name | 5-[5-(azetidin-1-ylmethyl)-3-pyridinyl]-N-(4-cyanophenyl)-1H-indazole-3-carboxamide;N-(4-cyanophenyl)-5-[5-(cyclopropanecarbonylamino)-3-pyridinyl]-1H-indazole-3-carboxamide;N-(4-cyanophenyl)-5-[5-(dimethylcarbamoylamino)-3-pyridinyl]-1H-indazole-3-carboxamide;N-(4-cyanophenyl)-5-[5-(morpholin-4-ylmethyl)-3-pyridinyl]-1H-indazole-3-carboxamide;N-(4-cyanophenyl)-5-(5-phenoxy-3-pyridinyl)-1H-indazole-3-carboxamide |
| SMILES | CN(C)C(=O)Nc1cncc(-c2ccc3[nH]nc(C(=O)Nc4ccc(C#N)cc4)c3c2)c1.N#Cc1ccc(NC(=O)c2n[nH]c3ccc(-c4cncc(CN5CCC5)c4)cc23)cc1.N#Cc1ccc(NC(=O)c2n[nH]c3ccc(-c4cncc(CN5CCOCC5)c4)cc23)cc1.N#Cc1ccc(NC(=O)c2n[nH]c3ccc(-c4cncc(NC(=O)C5CC5)c4)cc23)cc1.N#Cc1ccc(NC(=O)c2n[nH]c3ccc(-c4cncc(Oc5ccccc5)c4)cc23)cc1 |
| InChI | InChI=1S/C26H17N5O2.C25H22N6O2.C24H18N6O2.C24H20N6O.C23H19N7O2/c27-14-17-6-9-20(10-7-17)29-26(32)25-23-13-18(8-11-24(23)30-31-25)19-12-22(16-28-15-19)33-21-4-2-1-3-5-21;26-13-17-1-4-21(5-2-17)28-25(32)24-22-12-19(3-6-23(22)29-30-24)20-11-18(14-27-15-20)16-31-7-9-33-10-8-31;25-11-14-1-6-18(7-2-14)27-24(32)22-20-10-16(5-8-21(20)29-30-22)17-9-19(13-26-12-17)28-23(31)15-3-4-15;25-12-16-2-5-20(6-3-16)27-24(31)23-21-11-18(4-7-22(21)28-29-23)19-10-17(13-26-14-19)15-30-8-1-9-30;1-30(2)23(32)27-18-9-16(12-25-13-18)15-5-8-20-19(10-15)21(29-28-20)22(31)26-17-6-3-14(11-24)4-7-17/h1-13,15-16H,(H,29,32)(H,30,31);1-6,11-12,14-15H,7-10,16H2,(H,28,32)(H,29,30);1-2,5-10,12-13,15H,3-4H2,(H,27,32)(H,28,31)(H,29,30);2-7,10-11,13-14H,1,8-9,15H2,(H,27,31)(H,28,29);3-10,12-13H,1-2H3,(H,26,31)(H,27,32)(H,28,29) |
| InChIKey | ZNUWGCZWZCNPSG-UHFFFAOYSA-N |
| XLogP | 21.02 |
| TPSA | 558.68 Ų |
| H-Bond Donors | 12 |
| H-Bond Acceptors | 26 |
| Rotatable Bonds | 24 |
| Heavy Atoms | 161 |
| Complexity | — |
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2126.31 |
| LogP ≤ 5 | 21.02 |
| H-Bond Donors ≤ 5 | 12 |
| H-Bond Acceptors ≤ 10 | 26 |