C125H134N36O8 — CID 158730582
5-[5-(cyclopropanecarbonylamino)-3-pyridinyl]-N-[6-[(dimethylamino)methyl]-3-pyridinyl]-1H-indazole-3-carboxamide;N-[6-[(dimethylamino)methyl]-3-pyridinyl]-5-[5-(dimethylcarbamoylamino)-3-pyridinyl]-1H-indazole-3-carboxamide;N-[6-[(dimethylamino)methyl]-3-pyridinyl]-5-(5-morpholin-4-yl-3-pyridinyl)-1H-indazole-3-carboxamide;N-[6-[(dimethylamino)methyl]-3-pyridinyl]-5-(5-piperidin-1-yl-3-pyridinyl)-1H-indazole-3-carboxamide;N-[6-[(dimethylamino)methyl]-3-pyridinyl]-5-(5-pyrrolidin-1-yl-3-pyridinyl)-1H-indazole-3-carboxamide (PubChem CID 158730582) has the molecular formula C125H134N36O8 and a molecular weight of 2268.69 g/mol. Its IUPAC name is 5-[5-(cyclopropanecarbonylamino)-3-pyridinyl]-N-[6-[(dimethylamino)methyl]-3-pyridinyl]-1H-indazole-3-carboxamide;N-[6-[(dimethylamino)methyl]-3-pyridinyl]-5-[5-(dimethylcarbamoylamino)-3-pyridinyl]-1H-indazole-3-carboxamide;N-[6-[(dimethylamino)methyl]-3-pyridinyl]-5-(5-morpholin-4-yl-3-pyridinyl)-1H-indazole-3-carboxamide;N-[6-[(dimethylamino)methyl]-3-pyridinyl]-5-(5-piperidin-1-yl-3-pyridinyl)-1H-indazole-3-carboxamide;N-[6-[(dimethylamino)methyl]-3-pyridinyl]-5-(5-pyrrolidin-1-yl-3-pyridinyl)-1H-indazole-3-carboxamide.
| Compound Name | 5-[5-(cyclopropanecarbonylamino)-3-pyridinyl]-N-[6-[(dimethylamino)methyl]-3-pyridinyl]-1H-indazole-3-carboxamide;N-[6-[(dimethylamino)methyl]-3-pyridinyl]-5-[5-(dimethylcarbamoylamino)-3-pyridinyl]-1H-indazole-3-carboxamide;N-[6-[(dimethylamino)methyl]-3-pyridinyl]-5-(5-morpholin-4-yl-3-pyridinyl)-1H-indazole-3-carboxamide;N-[6-[(dimethylamino)methyl]-3-pyridinyl]-5-(5-piperidin-1-yl-3-pyridinyl)-1H-indazole-3-carboxamide;N-[6-[(dimethylamino)methyl]-3-pyridinyl]-5-(5-pyrrolidin-1-yl-3-pyridinyl)-1H-indazole-3-carboxamide |
|---|---|
| PubChem CID | 158730582 |
| Molecular Formula | C125H134N36O8 |
| Molecular Weight | 2268.69 g/mol |
| Exact Mass | 2267.12 |
| IUPAC Name | 5-[5-(cyclopropanecarbonylamino)-3-pyridinyl]-N-[6-[(dimethylamino)methyl]-3-pyridinyl]-1H-indazole-3-carboxamide;N-[6-[(dimethylamino)methyl]-3-pyridinyl]-5-[5-(dimethylcarbamoylamino)-3-pyridinyl]-1H-indazole-3-carboxamide;N-[6-[(dimethylamino)methyl]-3-pyridinyl]-5-(5-morpholin-4-yl-3-pyridinyl)-1H-indazole-3-carboxamide;N-[6-[(dimethylamino)methyl]-3-pyridinyl]-5-(5-piperidin-1-yl-3-pyridinyl)-1H-indazole-3-carboxamide;N-[6-[(dimethylamino)methyl]-3-pyridinyl]-5-(5-pyrrolidin-1-yl-3-pyridinyl)-1H-indazole-3-carboxamide |
| SMILES | CN(C)Cc1ccc(NC(=O)c2n[nH]c3ccc(-c4cncc(N5CCCC5)c4)cc23)cn1.CN(C)Cc1ccc(NC(=O)c2n[nH]c3ccc(-c4cncc(N5CCCCC5)c4)cc23)cn1.CN(C)Cc1ccc(NC(=O)c2n[nH]c3ccc(-c4cncc(N5CCOCC5)c4)cc23)cn1.CN(C)Cc1ccc(NC(=O)c2n[nH]c3ccc(-c4cncc(NC(=O)C5CC5)c4)cc23)cn1.CN(C)Cc1ccc(NC(=O)c2n[nH]c3ccc(-c4cncc(NC(=O)N(C)C)c4)cc23)cn1 |
| InChI | InChI=1S/C26H29N7O.C25H27N7O2.C25H25N7O2.C25H27N7O.C24H26N8O2/c1-32(2)17-21-8-7-20(15-28-21)29-26(34)25-23-13-18(6-9-24(23)30-31-25)19-12-22(16-27-14-19)33-10-4-3-5-11-33;1-31(2)16-20-5-4-19(14-27-20)28-25(33)24-22-12-17(3-6-23(22)29-30-24)18-11-21(15-26-13-18)32-7-9-34-10-8-32;1-32(2)14-19-7-6-18(13-27-19)28-25(34)23-21-10-16(5-8-22(21)30-31-23)17-9-20(12-26-11-17)29-24(33)15-3-4-15;1-31(2)16-20-7-6-19(14-27-20)28-25(33)24-22-12-17(5-8-23(22)29-30-24)18-11-21(15-26-13-18)32-9-3-4-10-32;1-31(2)14-18-7-6-17(13-26-18)27-23(33)22-20-10-15(5-8-21(20)29-30-22)16-9-19(12-25-11-16)28-24(34)32(3)4/h6-9,12-16H,3-5,10-11,17H2,1-2H3,(H,29,34)(H,30,31);3-6,11-15H,7-10,16H2,1-2H3,(H,28,33)(H,29,30);5-13,15H,3-4,14H2,1-2H3,(H,28,34)(H,29,33)(H,30,31);5-8,11-15H,3-4,9-10,16H2,1-2H3,(H,28,33)(H,29,30);5-13H,14H2,1-4H3,(H,27,33)(H,28,34)(H,29,30) |
| InChIKey | ILAXVFQUBOWJPL-UHFFFAOYSA-N |
| XLogP | 18.54 |
| TPSA | 514.39 Ų |
| H-Bond Donors | 12 |
| H-Bond Acceptors | 31 |
| Rotatable Bonds | 31 |
| Heavy Atoms | 169 |
| Complexity | — |
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2268.69 |
| LogP ≤ 5 | 18.54 |
| H-Bond Donors ≤ 5 | 12 |
| H-Bond Acceptors ≤ 10 | 31 |