C195H161F4N49O11 — CID 161314343
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-[(4,4-difluoropiperidin-1-yl)methyl]-3-pyridinyl]-1H-indazole-3-carboxamide;N-(4-cyanophenyl)-5-[5-[(3,3-difluoropyrrolidin-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 161314343) has the molecular formula C195H161F4N49O11 and a molecular weight of 3442.76 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-[(4,4-difluoropiperidin-1-yl)methyl]-3-pyridinyl]-1H-indazole-3-carboxamide;N-(4-cyanophenyl)-5-[5-[(3,3-difluoropyrrolidin-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 | 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-[(4,4-difluoropiperidin-1-yl)methyl]-3-pyridinyl]-1H-indazole-3-carboxamide;N-(4-cyanophenyl)-5-[5-[(3,3-difluoropyrrolidin-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 | 161314343 |
| Molecular Formula | C195H161F4N49O11 |
| Molecular Weight | 3442.76 g/mol |
| Exact Mass | 3440.35 |
| 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-[(4,4-difluoropiperidin-1-yl)methyl]-3-pyridinyl]-1H-indazole-3-carboxamide;N-(4-cyanophenyl)-5-[5-[(3,3-difluoropyrrolidin-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)C5)c4)cc23)cc1.N#Cc1ccc(NC(=O)c2n[nH]c3ccc(-c4cncc(CN5CCC(F)(F)CC5)c4)cc23)cc1.N#Cc1ccc(NC(=O)c2n[nH]c3ccc(-c4cncc(CN5CCC5)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.N#Cc1ccc(NC(=O)c2n[nH]c3ccc(-c4cncc(NC(=O)C5CC5)c4)cc23)cc1 |
| InChI | InChI=1S/C26H22F2N6O.C25H20F2N6O.C25H22N6O.C24H18N6O2.C24H20N6O2.2C24H20N6O.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;26-25(27)7-8-33(15-25)14-17-9-19(13-29-12-17)18-3-6-22-21(10-18)23(32-31-22)24(34)30-20-4-1-16(11-28)2-5-20;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;25-11-14-1-6-18(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;25-13-16-1-4-19(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;25-12-16-2-5-20(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;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);1-6,9-10,12-13H,7-8,14-15H2,(H,30,34)(H,31,32);4-9,12-13,15-16H,1-3,10-11H2,(H,28,32)(H,29,30);1-2,5-10,12-13,15H,3-4H2,(H,27,32)(H,28,31)(H,29,30);1-6,11-12,14-15H,7-10H2,(H,27,31)(H,28,29);2-7,10-11,13-14H,1,8-9,15H2,(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 | VJHLTJOUGFGKSN-UHFFFAOYSA-N |
| XLogP | 34.14 |
| TPSA | 845.79 Ų |
| H-Bond Donors | 18 |
| H-Bond Acceptors | 41 |
| Rotatable Bonds | 36 |
| Heavy Atoms | 259 |
| Complexity | — |
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 3442.76 |
| LogP ≤ 5 | 34.14 |
| H-Bond Donors ≤ 5 | 18 |
| H-Bond Acceptors ≤ 10 | 41 |