C112H111F2N27O10 — CID 157075936
5-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]-3-pyridinyl]-N-[6-[(dimethylamino)methyl]-3-pyridinyl]-1H-indazole-3-carboxamide;5-[5-[(4-hydroxypiperidin-1-yl)methyl]-3-pyridinyl]-N-[6-(pyrrolidine-1-carbonyl)-3-pyridinyl]-1H-indazole-3-carboxamide;5-[5-(morpholin-4-ylmethyl)-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 (PubChem CID 157075936) has the molecular formula C112H111F2N27O10 and a molecular weight of 2033.29 g/mol. Its IUPAC name is 5-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]-3-pyridinyl]-N-[6-[(dimethylamino)methyl]-3-pyridinyl]-1H-indazole-3-carboxamide;5-[5-[(4-hydroxypiperidin-1-yl)methyl]-3-pyridinyl]-N-[6-(pyrrolidine-1-carbonyl)-3-pyridinyl]-1H-indazole-3-carboxamide;5-[5-(morpholin-4-ylmethyl)-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.
| Compound Name | 5-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]-3-pyridinyl]-N-[6-[(dimethylamino)methyl]-3-pyridinyl]-1H-indazole-3-carboxamide;5-[5-[(4-hydroxypiperidin-1-yl)methyl]-3-pyridinyl]-N-[6-(pyrrolidine-1-carbonyl)-3-pyridinyl]-1H-indazole-3-carboxamide;5-[5-(morpholin-4-ylmethyl)-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 |
|---|---|
| PubChem CID | 157075936 |
| Molecular Formula | C112H111F2N27O10 |
| Molecular Weight | 2033.29 g/mol |
| Exact Mass | 2031.90 |
| IUPAC Name | 5-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]-3-pyridinyl]-N-[6-[(dimethylamino)methyl]-3-pyridinyl]-1H-indazole-3-carboxamide;5-[5-[(4-hydroxypiperidin-1-yl)methyl]-3-pyridinyl]-N-[6-(pyrrolidine-1-carbonyl)-3-pyridinyl]-1H-indazole-3-carboxamide;5-[5-(morpholin-4-ylmethyl)-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 |
| SMILES | CN(C)Cc1ccc(NC(=O)c2n[nH]c3ccc(-c4cncc(CN5CCC(F)(F)C5)c4)cc23)cn1.O=C(Nc1ccc(C(=O)N2CCCC2)nc1)c1n[nH]c2ccc(-c3cncc(CN4CCC(O)CC4)c3)cc12.O=C(Nc1ccc(C(=O)N2CCCC2)nc1)c1n[nH]c2ccc(-c3cncc(CN4CCOCC4)c3)cc12.O=C(Nc1ccc(C(=O)N2CCCC2)nc1)c1n[nH]c2ccc(-c3cncc(Oc4ccccc4)c3)cc12 |
| InChI | InChI=1S/C29H31N7O3.C29H24N6O3.C28H29N7O3.C26H27F2N7O/c37-23-7-11-35(12-8-23)18-19-13-21(16-30-15-19)20-3-5-25-24(14-20)27(34-33-25)28(38)32-22-4-6-26(31-17-22)29(39)36-9-1-2-10-36;36-28(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(31-22-4-6-25(30-17-22)28(37)35-7-1-2-8-35)26-23-14-20(3-5-24(23)32-33-26)21-13-19(15-29-16-21)18-34-9-11-38-12-10-34;1-34(2)15-21-5-4-20(13-30-21)31-25(36)24-22-10-18(3-6-23(22)32-33-24)19-9-17(11-29-12-19)14-35-8-7-26(27,28)16-35/h3-6,13-17,23,37H,1-2,7-12,18H2,(H,32,38)(H,33,34);1-3,6-11,14-18H,4-5,12-13H2,(H,32,36)(H,33,34);3-6,13-17H,1-2,7-12,18H2,(H,31,36)(H,32,33);3-6,9-13H,7-8,14-16H2,1-2H3,(H,31,36)(H,32,33) |
| InChIKey | ACYZMWOKLSHXCY-UHFFFAOYSA-N |
| XLogP | 16.28 |
| TPSA | 446.82 Ų |
| H-Bond Donors | 9 |
| H-Bond Acceptors | 26 |
| Rotatable Bonds | 25 |
| Heavy Atoms | 151 |
| Complexity | — |
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2033.29 |
| LogP ≤ 5 | 16.28 |
| H-Bond Donors ≤ 5 | 9 |
| H-Bond Acceptors ≤ 10 | 26 |