C114H104N34O8 — CID 160637500
N-(6-amino-3-pyridinyl)-5-[5-(azetidin-1-ylmethyl)-3-pyridinyl]-1H-indazole-3-carboxamide;N-(6-amino-3-pyridinyl)-5-[5-(cyclopropanecarbonylamino)-3-pyridinyl]-1H-indazole-3-carboxamide;N-(6-amino-3-pyridinyl)-5-[5-(morpholin-4-ylmethyl)-3-pyridinyl]-1H-indazole-3-carboxamide;N-(6-amino-3-pyridinyl)-5-(5-phenoxy-3-pyridinyl)-1H-indazole-3-carboxamide;N-(6-amino-3-pyridinyl)-5-[5-(pyrrolidin-1-ylmethyl)-3-pyridinyl]-1H-indazole-3-carboxamide (PubChem CID 160637500) has the molecular formula C114H104N34O8 and a molecular weight of 2078.32 g/mol. Its IUPAC name is N-(6-amino-3-pyridinyl)-5-[5-(azetidin-1-ylmethyl)-3-pyridinyl]-1H-indazole-3-carboxamide;N-(6-amino-3-pyridinyl)-5-[5-(cyclopropanecarbonylamino)-3-pyridinyl]-1H-indazole-3-carboxamide;N-(6-amino-3-pyridinyl)-5-[5-(morpholin-4-ylmethyl)-3-pyridinyl]-1H-indazole-3-carboxamide;N-(6-amino-3-pyridinyl)-5-(5-phenoxy-3-pyridinyl)-1H-indazole-3-carboxamide;N-(6-amino-3-pyridinyl)-5-[5-(pyrrolidin-1-ylmethyl)-3-pyridinyl]-1H-indazole-3-carboxamide.
| Compound Name | N-(6-amino-3-pyridinyl)-5-[5-(azetidin-1-ylmethyl)-3-pyridinyl]-1H-indazole-3-carboxamide;N-(6-amino-3-pyridinyl)-5-[5-(cyclopropanecarbonylamino)-3-pyridinyl]-1H-indazole-3-carboxamide;N-(6-amino-3-pyridinyl)-5-[5-(morpholin-4-ylmethyl)-3-pyridinyl]-1H-indazole-3-carboxamide;N-(6-amino-3-pyridinyl)-5-(5-phenoxy-3-pyridinyl)-1H-indazole-3-carboxamide;N-(6-amino-3-pyridinyl)-5-[5-(pyrrolidin-1-ylmethyl)-3-pyridinyl]-1H-indazole-3-carboxamide |
|---|---|
| PubChem CID | 160637500 |
| Molecular Formula | C114H104N34O8 |
| Molecular Weight | 2078.32 g/mol |
| Exact Mass | 2076.88 |
| IUPAC Name | N-(6-amino-3-pyridinyl)-5-[5-(azetidin-1-ylmethyl)-3-pyridinyl]-1H-indazole-3-carboxamide;N-(6-amino-3-pyridinyl)-5-[5-(cyclopropanecarbonylamino)-3-pyridinyl]-1H-indazole-3-carboxamide;N-(6-amino-3-pyridinyl)-5-[5-(morpholin-4-ylmethyl)-3-pyridinyl]-1H-indazole-3-carboxamide;N-(6-amino-3-pyridinyl)-5-(5-phenoxy-3-pyridinyl)-1H-indazole-3-carboxamide;N-(6-amino-3-pyridinyl)-5-[5-(pyrrolidin-1-ylmethyl)-3-pyridinyl]-1H-indazole-3-carboxamide |
| SMILES | Nc1ccc(NC(=O)c2n[nH]c3ccc(-c4cncc(CN5CCC5)c4)cc23)cn1.Nc1ccc(NC(=O)c2n[nH]c3ccc(-c4cncc(CN5CCCC5)c4)cc23)cn1.Nc1ccc(NC(=O)c2n[nH]c3ccc(-c4cncc(CN5CCOCC5)c4)cc23)cn1.Nc1ccc(NC(=O)c2n[nH]c3ccc(-c4cncc(NC(=O)C5CC5)c4)cc23)cn1.Nc1ccc(NC(=O)c2n[nH]c3ccc(-c4cncc(Oc5ccccc5)c4)cc23)cn1 |
| InChI | InChI=1S/C24H18N6O2.C23H23N7O2.C23H23N7O.C22H19N7O2.C22H21N7O/c25-22-9-7-17(13-27-22)28-24(31)23-20-11-15(6-8-21(20)29-30-23)16-10-19(14-26-12-16)32-18-4-2-1-3-5-18;24-21-4-2-18(13-26-21)27-23(31)22-19-10-16(1-3-20(19)28-29-22)17-9-15(11-25-12-17)14-30-5-7-32-8-6-30;24-21-6-4-18(13-26-21)27-23(31)22-19-10-16(3-5-20(19)28-29-22)17-9-15(11-25-12-17)14-30-7-1-2-8-30;23-19-6-4-15(11-25-19)26-22(31)20-17-8-13(3-5-18(17)28-29-20)14-7-16(10-24-9-14)27-21(30)12-1-2-12;23-20-5-3-17(12-25-20)26-22(30)21-18-9-15(2-4-19(18)27-28-21)16-8-14(10-24-11-16)13-29-6-1-7-29/h1-14H,(H2,25,27)(H,28,31)(H,29,30);1-4,9-13H,5-8,14H2,(H2,24,26)(H,27,31)(H,28,29);3-6,9-13H,1-2,7-8,14H2,(H2,24,26)(H,27,31)(H,28,29);3-12H,1-2H2,(H2,23,25)(H,26,31)(H,27,30)(H,28,29);2-5,8-12H,1,6-7,13H2,(H2,23,25)(H,26,30)(H,27,28) |
| InChIKey | RISQKEVERRXZAT-UHFFFAOYSA-N |
| XLogP | 17.05 |
| TPSA | 605.18 Ų |
| H-Bond Donors | 16 |
| H-Bond Acceptors | 31 |
| Rotatable Bonds | 25 |
| Heavy Atoms | 156 |
| Complexity | — |
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2078.32 |
| LogP ≤ 5 | 17.05 |
| H-Bond Donors ≤ 5 | 16 |
| H-Bond Acceptors ≤ 10 | 31 |