C189H181F4N55O14S2 — CID 157112638
5-[5-(azetidin-1-ylmethyl)-3-pyridinyl]-N-(2-methylpyrimidin-5-yl)-1H-indazole-3-carboxamide;5-[5-(cyclopropanecarbonylamino)-3-pyridinyl]-N-(2-methylpyrimidin-5-yl)-1H-indazole-3-carboxamide;5-[5-[(4,4-difluoropiperidin-1-yl)methyl]-3-pyridinyl]-N-[6-[(methyl-methylidene-oxo-λ6-sulfanyl)amino]-3-pyridinyl]-1H-indazole-3-carboxamide;5-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]-3-pyridinyl]-N-[6-[(methyl-methylidene-oxo-λ6-sulfanyl)amino]-3-pyridinyl]-1H-indazole-3-carboxamide;5-[5-[(4-hydroxypiperidin-1-yl)methyl]-3-pyridinyl]-N-(2-methylpyrimidin-5-yl)-1H-indazole-3-carboxamide;N-(2-methylpyrimidin-5-yl)-5-[5-(morpholin-4-ylmethyl)-3-pyridinyl]-1H-indazole-3-carboxamide;N-(2-methylpyrimidin-5-yl)-5-(5-phenoxy-3-pyridinyl)-1H-indazole-3-carboxamide;N-(2-methylpyrimidin-5-yl)-5-[5-(pyrrolidin-1-ylmethyl)-3-pyridinyl]-1H-indazole-3-carboxamide (PubChem CID 157112638) has the molecular formula C189H181F4N55O14S2 and a molecular weight of 3587.02 g/mol. Its IUPAC name is 5-[5-(azetidin-1-ylmethyl)-3-pyridinyl]-N-(2-methylpyrimidin-5-yl)-1H-indazole-3-carboxamide;5-[5-(cyclopropanecarbonylamino)-3-pyridinyl]-N-(2-methylpyrimidin-5-yl)-1H-indazole-3-carboxamide;5-[5-[(4,4-difluoropiperidin-1-yl)methyl]-3-pyridinyl]-N-[6-[(methyl-methylidene-oxo-λ6-sulfanyl)amino]-3-pyridinyl]-1H-indazole-3-carboxamide;5-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]-3-pyridinyl]-N-[6-[(methyl-methylidene-oxo-λ6-sulfanyl)amino]-3-pyridinyl]-1H-indazole-3-carboxamide;5-[5-[(4-hydroxypiperidin-1-yl)methyl]-3-pyridinyl]-N-(2-methylpyrimidin-5-yl)-1H-indazole-3-carboxamide;N-(2-methylpyrimidin-5-yl)-5-[5-(morpholin-4-ylmethyl)-3-pyridinyl]-1H-indazole-3-carboxamide;N-(2-methylpyrimidin-5-yl)-5-(5-phenoxy-3-pyridinyl)-1H-indazole-3-carboxamide;N-(2-methylpyrimidin-5-yl)-5-[5-(pyrrolidin-1-ylmethyl)-3-pyridinyl]-1H-indazole-3-carboxamide.
| Compound Name | 5-[5-(azetidin-1-ylmethyl)-3-pyridinyl]-N-(2-methylpyrimidin-5-yl)-1H-indazole-3-carboxamide;5-[5-(cyclopropanecarbonylamino)-3-pyridinyl]-N-(2-methylpyrimidin-5-yl)-1H-indazole-3-carboxamide;5-[5-[(4,4-difluoropiperidin-1-yl)methyl]-3-pyridinyl]-N-[6-[(methyl-methylidene-oxo-λ6-sulfanyl)amino]-3-pyridinyl]-1H-indazole-3-carboxamide;5-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]-3-pyridinyl]-N-[6-[(methyl-methylidene-oxo-λ6-sulfanyl)amino]-3-pyridinyl]-1H-indazole-3-carboxamide;5-[5-[(4-hydroxypiperidin-1-yl)methyl]-3-pyridinyl]-N-(2-methylpyrimidin-5-yl)-1H-indazole-3-carboxamide;N-(2-methylpyrimidin-5-yl)-5-[5-(morpholin-4-ylmethyl)-3-pyridinyl]-1H-indazole-3-carboxamide;N-(2-methylpyrimidin-5-yl)-5-(5-phenoxy-3-pyridinyl)-1H-indazole-3-carboxamide;N-(2-methylpyrimidin-5-yl)-5-[5-(pyrrolidin-1-ylmethyl)-3-pyridinyl]-1H-indazole-3-carboxamide |
|---|---|
| PubChem CID | 157112638 |
| Molecular Formula | C189H181F4N55O14S2 |
| Molecular Weight | 3587.02 g/mol |
| Exact Mass | 3584.45 |
| IUPAC Name | 5-[5-(azetidin-1-ylmethyl)-3-pyridinyl]-N-(2-methylpyrimidin-5-yl)-1H-indazole-3-carboxamide;5-[5-(cyclopropanecarbonylamino)-3-pyridinyl]-N-(2-methylpyrimidin-5-yl)-1H-indazole-3-carboxamide;5-[5-[(4,4-difluoropiperidin-1-yl)methyl]-3-pyridinyl]-N-[6-[(methyl-methylidene-oxo-λ6-sulfanyl)amino]-3-pyridinyl]-1H-indazole-3-carboxamide;5-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]-3-pyridinyl]-N-[6-[(methyl-methylidene-oxo-λ6-sulfanyl)amino]-3-pyridinyl]-1H-indazole-3-carboxamide;5-[5-[(4-hydroxypiperidin-1-yl)methyl]-3-pyridinyl]-N-(2-methylpyrimidin-5-yl)-1H-indazole-3-carboxamide;N-(2-methylpyrimidin-5-yl)-5-[5-(morpholin-4-ylmethyl)-3-pyridinyl]-1H-indazole-3-carboxamide;N-(2-methylpyrimidin-5-yl)-5-(5-phenoxy-3-pyridinyl)-1H-indazole-3-carboxamide;N-(2-methylpyrimidin-5-yl)-5-[5-(pyrrolidin-1-ylmethyl)-3-pyridinyl]-1H-indazole-3-carboxamide |
| SMILES | C=S(C)(=O)Nc1ccc(NC(=O)c2n[nH]c3ccc(-c4cncc(CN5CCC(F)(F)C5)c4)cc23)cn1.C=S(C)(=O)Nc1ccc(NC(=O)c2n[nH]c3ccc(-c4cncc(CN5CCC(F)(F)CC5)c4)cc23)cn1.Cc1ncc(NC(=O)c2n[nH]c3ccc(-c4cncc(CN5CCC(O)CC5)c4)cc23)cn1.Cc1ncc(NC(=O)c2n[nH]c3ccc(-c4cncc(CN5CCC5)c4)cc23)cn1.Cc1ncc(NC(=O)c2n[nH]c3ccc(-c4cncc(CN5CCCC5)c4)cc23)cn1.Cc1ncc(NC(=O)c2n[nH]c3ccc(-c4cncc(CN5CCOCC5)c4)cc23)cn1.Cc1ncc(NC(=O)c2n[nH]c3ccc(-c4cncc(NC(=O)C5CC5)c4)cc23)cn1.Cc1ncc(NC(=O)c2n[nH]c3ccc(-c4cncc(Oc5ccccc5)c4)cc23)cn1 |
| InChI | InChI=1S/C26H27F2N7O2S.C25H25F2N7O2S.C24H25N7O2.C24H18N6O2.C23H23N7O2.C23H23N7O.C22H19N7O2.C22H21N7O/c1-38(2,37)34-23-6-4-20(15-30-23)31-25(36)24-21-12-18(3-5-22(21)32-33-24)19-11-17(13-29-14-19)16-35-9-7-26(27,28)8-10-35;1-37(2,36)33-22-6-4-19(13-29-22)30-24(35)23-20-10-17(3-5-21(20)31-32-23)18-9-16(11-28-12-18)14-34-8-7-25(26,27)15-34;1-15-26-12-19(13-27-15)28-24(33)23-21-9-17(2-3-22(21)29-30-23)18-8-16(10-25-11-18)14-31-6-4-20(32)5-7-31;1-15-26-12-18(13-27-15)28-24(31)23-21-10-16(7-8-22(21)29-30-23)17-9-20(14-25-11-17)32-19-5-3-2-4-6-19;1-15-25-12-19(13-26-15)27-23(31)22-20-9-17(2-3-21(20)28-29-22)18-8-16(10-24-11-18)14-30-4-6-32-7-5-30;1-15-25-12-19(13-26-15)27-23(31)22-20-9-17(4-5-21(20)28-29-22)18-8-16(10-24-11-18)14-30-6-2-3-7-30;1-12-24-10-17(11-25-12)27-22(31)20-18-7-14(4-5-19(18)28-29-20)15-6-16(9-23-8-15)26-21(30)13-2-3-13;1-14-24-11-18(12-25-14)26-22(30)21-19-8-16(3-4-20(19)27-28-21)17-7-15(9-23-10-17)13-29-5-2-6-29/h3-6,11-15H,1,7-10,16H2,2H3,(H,31,36)(H,32,33)(H,30,34,37);3-6,9-13H,1,7-8,14-15H2,2H3,(H,30,35)(H,31,32)(H,29,33,36);2-3,8-13,20,32H,4-7,14H2,1H3,(H,28,33)(H,29,30);2-14H,1H3,(H,28,31)(H,29,30);2-3,8-13H,4-7,14H2,1H3,(H,27,31)(H,28,29);4-5,8-13H,2-3,6-7,14H2,1H3,(H,27,31)(H,28,29);4-11,13H,2-3H2,1H3,(H,26,30)(H,27,31)(H,28,29);3-4,7-12H,2,5-6,13H2,1H3,(H,26,30)(H,27,28) |
| InChIKey | AHAMCOLPXWOXMN-UHFFFAOYSA-N |
| XLogP | 28.55 |
| TPSA | 891.25 Ų |
| H-Bond Donors | 20 |
| H-Bond Acceptors | 50 |
| Rotatable Bonds | 44 |
| Heavy Atoms | 264 |
| Complexity | — |
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 3587.02 |
| LogP ≤ 5 | 28.55 |
| H-Bond Donors ≤ 5 | 20 |
| H-Bond Acceptors ≤ 10 | 50 |
| Structural Alerts | {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'} |
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