C122H103F2N31O7 — CID 158518020
N-(4-cyanophenyl)-5-[5-[(4,4-difluoropiperidin-1-yl)methyl]-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-yl-3-pyridinyl)-1H-indazole-3-carboxamide;N-(4-cyanophenyl)-5-(5-piperidin-1-yl-3-pyridinyl)-1H-indazole-3-carboxamide;N-(4-cyanophenyl)-5-(5-pyrrolidin-1-yl-3-pyridinyl)-1H-indazole-3-carboxamide (PubChem CID 158518020) has the molecular formula C122H103F2N31O7 and a molecular weight of 2153.37 g/mol. Its IUPAC name is N-(4-cyanophenyl)-5-[5-[(4,4-difluoropiperidin-1-yl)methyl]-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-yl-3-pyridinyl)-1H-indazole-3-carboxamide;N-(4-cyanophenyl)-5-(5-piperidin-1-yl-3-pyridinyl)-1H-indazole-3-carboxamide;N-(4-cyanophenyl)-5-(5-pyrrolidin-1-yl-3-pyridinyl)-1H-indazole-3-carboxamide.
| Compound Name | N-(4-cyanophenyl)-5-[5-[(4,4-difluoropiperidin-1-yl)methyl]-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-yl-3-pyridinyl)-1H-indazole-3-carboxamide;N-(4-cyanophenyl)-5-(5-piperidin-1-yl-3-pyridinyl)-1H-indazole-3-carboxamide;N-(4-cyanophenyl)-5-(5-pyrrolidin-1-yl-3-pyridinyl)-1H-indazole-3-carboxamide |
|---|---|
| PubChem CID | 158518020 |
| Molecular Formula | C122H103F2N31O7 |
| Molecular Weight | 2153.37 g/mol |
| Exact Mass | 2151.86 |
| IUPAC Name | N-(4-cyanophenyl)-5-[5-[(4,4-difluoropiperidin-1-yl)methyl]-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-yl-3-pyridinyl)-1H-indazole-3-carboxamide;N-(4-cyanophenyl)-5-(5-piperidin-1-yl-3-pyridinyl)-1H-indazole-3-carboxamide;N-(4-cyanophenyl)-5-(5-pyrrolidin-1-yl-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(CN5CCC(F)(F)CC5)c4)cc23)cc1.N#Cc1ccc(NC(=O)c2n[nH]c3ccc(-c4cncc(N5CCCC5)c4)cc23)cc1.N#Cc1ccc(NC(=O)c2n[nH]c3ccc(-c4cncc(N5CCCCC5)c4)cc23)cc1.N#Cc1ccc(NC(=O)c2n[nH]c3ccc(-c4cncc(N5CCOCC5)c4)cc23)cc1 |
| InChI | InChI=1S/C26H22F2N6O.C25H22N6O.C24H20N6O2.C24H20N6O.C23H19N7O2/c27-26(28)7-9-34(10-8-26)16-18-11-20(15-30-14-18)19-3-6-23-22(12-19)24(33-32-23)25(35)31-21-4-1-17(13-29)2-5-21;26-14-17-4-7-20(8-5-17)28-25(32)24-22-13-18(6-9-23(22)29-30-24)19-12-21(16-27-15-19)31-10-2-1-3-11-31;25-13-16-1-4-19(5-2-16)27-24(31)23-21-12-17(3-6-22(21)28-29-23)18-11-20(15-26-14-18)30-7-9-32-10-8-30;25-13-16-3-6-19(7-4-16)27-24(31)23-21-12-17(5-8-22(21)28-29-23)18-11-20(15-26-14-18)30-9-1-2-10-30;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/h1-6,11-12,14-15H,7-10,16H2,(H,31,35)(H,32,33);4-9,12-13,15-16H,1-3,10-11H2,(H,28,32)(H,29,30);1-6,11-12,14-15H,7-10H2,(H,27,31)(H,28,29);3-8,11-12,14-15H,1-2,9-10H2,(H,27,31)(H,28,29);3-10,12-13H,1-2H3,(H,26,31)(H,27,32)(H,28,29) |
| InChIKey | HLWGMBNNVSTSSJ-UHFFFAOYSA-N |
| XLogP | 21.50 |
| TPSA | 526.83 Ų |
| H-Bond Donors | 11 |
| H-Bond Acceptors | 26 |
| Rotatable Bonds | 21 |
| Heavy Atoms | 162 |
| Complexity | — |
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2153.37 |
| LogP ≤ 5 | 21.50 |
| H-Bond Donors ≤ 5 | 11 |
| H-Bond Acceptors ≤ 10 | 26 |