C124H105F2N29O6 — CID 157412997
5-[5-(azetidin-1-ylmethyl)-3-pyridinyl]-N-(4-cyanophenyl)-1H-indazole-3-carboxamide;N-(4-cyanophenyl)-5-[5-[(4,4-difluorocyclohexyl)methyl]-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 157412997) has the molecular formula C124H105F2N29O6 and a molecular weight of 2135.40 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-[(4,4-difluorocyclohexyl)methyl]-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-[(4,4-difluorocyclohexyl)methyl]-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 | 157412997 |
| Molecular Formula | C124H105F2N29O6 |
| Molecular Weight | 2135.40 g/mol |
| Exact Mass | 2133.88 |
| IUPAC Name | 5-[5-(azetidin-1-ylmethyl)-3-pyridinyl]-N-(4-cyanophenyl)-1H-indazole-3-carboxamide;N-(4-cyanophenyl)-5-[5-[(4,4-difluorocyclohexyl)methyl]-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 | N#Cc1ccc(NC(=O)c2n[nH]c3ccc(-c4cncc(CC5CCC(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 |
| InChI | InChI=1S/C27H23F2N5O.C25H22N6O.C24H20N6O2.2C24H20N6O/c28-27(29)9-7-17(8-10-27)11-19-12-21(16-31-15-19)20-3-6-24-23(13-20)25(34-33-24)26(35)32-22-4-1-18(14-30)2-5-22;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;25-12-16-2-5-20(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/h1-6,12-13,15-17H,7-11H2,(H,32,35)(H,33,34);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);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) |
| InChIKey | BOMWTZQORNGVGG-UHFFFAOYSA-N |
| XLogP | 22.75 |
| TPSA | 494.49 Ų |
| H-Bond Donors | 10 |
| H-Bond Acceptors | 25 |
| Rotatable Bonds | 22 |
| Heavy Atoms | 161 |
| Complexity | — |
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2135.40 |
| LogP ≤ 5 | 22.75 |
| H-Bond Donors ≤ 5 | 10 |
| H-Bond Acceptors ≤ 10 | 25 |