C111H105N27O10 — CID 157369859
5-[5-(azetidin-1-ylmethyl)-3-pyridinyl]-N-[6-(pyrrolidine-1-carbonyl)-3-pyridinyl]-1H-indazole-3-carboxamide;5-[5-(cyclopropanecarbonylamino)-3-pyridinyl]-N-[6-(pyrrolidine-1-carbonyl)-3-pyridinyl]-1H-indazole-3-carboxamide;5-(5-phenoxy-3-pyridinyl)-N-[6-(pyrrolidine-1-carbonyl)-3-pyridinyl]-1H-indazole-3-carboxamide;N-[6-(pyrrolidine-1-carbonyl)-3-pyridinyl]-5-[5-(pyrrolidin-1-ylmethyl)-3-pyridinyl]-1H-indazole-3-carboxamide (PubChem CID 157369859) has the molecular formula C111H105N27O10 and a molecular weight of 1977.24 g/mol. Its IUPAC name is 5-[5-(azetidin-1-ylmethyl)-3-pyridinyl]-N-[6-(pyrrolidine-1-carbonyl)-3-pyridinyl]-1H-indazole-3-carboxamide;5-[5-(cyclopropanecarbonylamino)-3-pyridinyl]-N-[6-(pyrrolidine-1-carbonyl)-3-pyridinyl]-1H-indazole-3-carboxamide;5-(5-phenoxy-3-pyridinyl)-N-[6-(pyrrolidine-1-carbonyl)-3-pyridinyl]-1H-indazole-3-carboxamide;N-[6-(pyrrolidine-1-carbonyl)-3-pyridinyl]-5-[5-(pyrrolidin-1-ylmethyl)-3-pyridinyl]-1H-indazole-3-carboxamide.
| Compound Name | 5-[5-(azetidin-1-ylmethyl)-3-pyridinyl]-N-[6-(pyrrolidine-1-carbonyl)-3-pyridinyl]-1H-indazole-3-carboxamide;5-[5-(cyclopropanecarbonylamino)-3-pyridinyl]-N-[6-(pyrrolidine-1-carbonyl)-3-pyridinyl]-1H-indazole-3-carboxamide;5-(5-phenoxy-3-pyridinyl)-N-[6-(pyrrolidine-1-carbonyl)-3-pyridinyl]-1H-indazole-3-carboxamide;N-[6-(pyrrolidine-1-carbonyl)-3-pyridinyl]-5-[5-(pyrrolidin-1-ylmethyl)-3-pyridinyl]-1H-indazole-3-carboxamide |
|---|---|
| PubChem CID | 157369859 |
| Molecular Formula | C111H105N27O10 |
| Molecular Weight | 1977.24 g/mol |
| Exact Mass | 1975.85 |
| IUPAC Name | 5-[5-(azetidin-1-ylmethyl)-3-pyridinyl]-N-[6-(pyrrolidine-1-carbonyl)-3-pyridinyl]-1H-indazole-3-carboxamide;5-[5-(cyclopropanecarbonylamino)-3-pyridinyl]-N-[6-(pyrrolidine-1-carbonyl)-3-pyridinyl]-1H-indazole-3-carboxamide;5-(5-phenoxy-3-pyridinyl)-N-[6-(pyrrolidine-1-carbonyl)-3-pyridinyl]-1H-indazole-3-carboxamide;N-[6-(pyrrolidine-1-carbonyl)-3-pyridinyl]-5-[5-(pyrrolidin-1-ylmethyl)-3-pyridinyl]-1H-indazole-3-carboxamide |
| SMILES | O=C(Nc1ccc(C(=O)N2CCCC2)nc1)c1n[nH]c2ccc(-c3cncc(CN4CCC4)c3)cc12.O=C(Nc1ccc(C(=O)N2CCCC2)nc1)c1n[nH]c2ccc(-c3cncc(CN4CCCC4)c3)cc12.O=C(Nc1ccc(C(=O)N2CCCC2)nc1)c1n[nH]c2ccc(-c3cncc(NC(=O)C4CC4)c3)cc12.O=C(Nc1ccc(C(=O)N2CCCC2)nc1)c1n[nH]c2ccc(-c3cncc(Oc4ccccc4)c3)cc12 |
| InChI | InChI=1S/C29H24N6O3.C28H29N7O2.C27H25N7O3.C27H27N7O2/c36-28(32-21-9-11-26(31-17-21)29(37)35-12-4-5-13-35)27-24-15-19(8-10-25(24)33-34-27)20-14-23(18-30-16-20)38-22-6-2-1-3-7-22;36-27(31-22-6-8-25(30-17-22)28(37)35-11-3-4-12-35)26-23-14-20(5-7-24(23)32-33-26)21-13-19(15-29-16-21)18-34-9-1-2-10-34;35-25(16-3-4-16)31-20-11-18(13-28-14-20)17-5-7-22-21(12-17)24(33-32-22)26(36)30-19-6-8-23(29-15-19)27(37)34-9-1-2-10-34;35-26(30-21-5-7-24(29-16-21)27(36)34-10-1-2-11-34)25-22-13-19(4-6-23(22)31-32-25)20-12-18(14-28-15-20)17-33-8-3-9-33/h1-3,6-11,14-18H,4-5,12-13H2,(H,32,36)(H,33,34);5-8,13-17H,1-4,9-12,18H2,(H,31,36)(H,32,33);5-8,11-16H,1-4,9-10H2,(H,30,36)(H,31,35)(H,32,33);4-7,12-16H,1-3,8-11,17H2,(H,30,35)(H,31,32) |
| InChIKey | BJPZSNWVPDRBOQ-UHFFFAOYSA-N |
| XLogP | 16.98 |
| TPSA | 460.29 Ų |
| H-Bond Donors | 9 |
| H-Bond Acceptors | 24 |
| Rotatable Bonds | 24 |
| Heavy Atoms | 148 |
| Complexity | — |
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 1977.24 |
| LogP ≤ 5 | 16.98 |
| H-Bond Donors ≤ 5 | 9 |
| H-Bond Acceptors ≤ 10 | 24 |