C135H125F4N27O13 — CID 160891098
N-[2-(cyclopropanecarbonylamino)phenyl]-5-[5-[(4-hydroxypiperidin-1-yl)methyl]-3-pyridinyl]-1H-indazole-3-carboxamide;N-[2-(cyclopropanecarbonylamino)phenyl]-5-[5-(morpholin-4-ylmethyl)-3-pyridinyl]-1H-indazole-3-carboxamide;N-[2-(cyclopropanecarbonylamino)phenyl]-5-(5-phenoxy-3-pyridinyl)-1H-indazole-3-carboxamide;5-[5-[(4,4-difluoropiperidin-1-yl)methyl]-3-pyridinyl]-N-(4-hydroxyphenyl)-1H-indazole-3-carboxamide;5-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]-3-pyridinyl]-N-(4-hydroxyphenyl)-1H-indazole-3-carboxamide (PubChem CID 160891098) has the molecular formula C135H125F4N27O13 and a molecular weight of 2409.65 g/mol. Its IUPAC name is N-[2-(cyclopropanecarbonylamino)phenyl]-5-[5-[(4-hydroxypiperidin-1-yl)methyl]-3-pyridinyl]-1H-indazole-3-carboxamide;N-[2-(cyclopropanecarbonylamino)phenyl]-5-[5-(morpholin-4-ylmethyl)-3-pyridinyl]-1H-indazole-3-carboxamide;N-[2-(cyclopropanecarbonylamino)phenyl]-5-(5-phenoxy-3-pyridinyl)-1H-indazole-3-carboxamide;5-[5-[(4,4-difluoropiperidin-1-yl)methyl]-3-pyridinyl]-N-(4-hydroxyphenyl)-1H-indazole-3-carboxamide;5-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]-3-pyridinyl]-N-(4-hydroxyphenyl)-1H-indazole-3-carboxamide.
| Compound Name | N-[2-(cyclopropanecarbonylamino)phenyl]-5-[5-[(4-hydroxypiperidin-1-yl)methyl]-3-pyridinyl]-1H-indazole-3-carboxamide;N-[2-(cyclopropanecarbonylamino)phenyl]-5-[5-(morpholin-4-ylmethyl)-3-pyridinyl]-1H-indazole-3-carboxamide;N-[2-(cyclopropanecarbonylamino)phenyl]-5-(5-phenoxy-3-pyridinyl)-1H-indazole-3-carboxamide;5-[5-[(4,4-difluoropiperidin-1-yl)methyl]-3-pyridinyl]-N-(4-hydroxyphenyl)-1H-indazole-3-carboxamide;5-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]-3-pyridinyl]-N-(4-hydroxyphenyl)-1H-indazole-3-carboxamide |
|---|---|
| PubChem CID | 160891098 |
| Molecular Formula | C135H125F4N27O13 |
| Molecular Weight | 2409.65 g/mol |
| Exact Mass | 2407.99 |
| IUPAC Name | N-[2-(cyclopropanecarbonylamino)phenyl]-5-[5-[(4-hydroxypiperidin-1-yl)methyl]-3-pyridinyl]-1H-indazole-3-carboxamide;N-[2-(cyclopropanecarbonylamino)phenyl]-5-[5-(morpholin-4-ylmethyl)-3-pyridinyl]-1H-indazole-3-carboxamide;N-[2-(cyclopropanecarbonylamino)phenyl]-5-(5-phenoxy-3-pyridinyl)-1H-indazole-3-carboxamide;5-[5-[(4,4-difluoropiperidin-1-yl)methyl]-3-pyridinyl]-N-(4-hydroxyphenyl)-1H-indazole-3-carboxamide;5-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]-3-pyridinyl]-N-(4-hydroxyphenyl)-1H-indazole-3-carboxamide |
| SMILES | O=C(Nc1ccc(O)cc1)c1n[nH]c2ccc(-c3cncc(CN4CCC(F)(F)C4)c3)cc12.O=C(Nc1ccc(O)cc1)c1n[nH]c2ccc(-c3cncc(CN4CCC(F)(F)CC4)c3)cc12.O=C(Nc1ccccc1NC(=O)C1CC1)c1n[nH]c2ccc(-c3cncc(CN4CCC(O)CC4)c3)cc12.O=C(Nc1ccccc1NC(=O)C1CC1)c1n[nH]c2ccc(-c3cncc(CN4CCOCC4)c3)cc12.O=C(Nc1ccccc1NC(=O)C1CC1)c1n[nH]c2ccc(-c3cncc(Oc4ccccc4)c3)cc12 |
| InChI | InChI=1S/C29H30N6O3.C29H23N5O3.C28H28N6O3.C25H23F2N5O2.C24H21F2N5O2/c36-22-9-11-35(12-10-22)17-18-13-21(16-30-15-18)20-7-8-24-23(14-20)27(34-33-24)29(38)32-26-4-2-1-3-25(26)31-28(37)19-5-6-19;35-28(18-10-11-18)31-25-8-4-5-9-26(25)32-29(36)27-23-15-19(12-13-24(23)33-34-27)20-14-22(17-30-16-20)37-21-6-2-1-3-7-21;35-27(19-5-6-19)30-24-3-1-2-4-25(24)31-28(36)26-22-14-20(7-8-23(22)32-33-26)21-13-18(15-29-16-21)17-34-9-11-37-12-10-34;26-25(27)7-9-32(10-8-25)15-16-11-18(14-28-13-16)17-1-6-22-21(12-17)23(31-30-22)24(34)29-19-2-4-20(33)5-3-19;25-24(26)7-8-31(14-24)13-15-9-17(12-27-11-15)16-1-6-21-20(10-16)22(30-29-21)23(33)28-18-2-4-19(32)5-3-18/h1-4,7-8,13-16,19,22,36H,5-6,9-12,17H2,(H,31,37)(H,32,38)(H,33,34);1-9,12-18H,10-11H2,(H,31,35)(H,32,36)(H,33,34);1-4,7-8,13-16,19H,5-6,9-12,17H2,(H,30,35)(H,31,36)(H,32,33);1-6,11-14,33H,7-10,15H2,(H,29,34)(H,30,31);1-6,9-12,32H,7-8,13-14H2,(H,28,33)(H,29,30) |
| InChIKey | SOGXRVLLMPRMAW-UHFFFAOYSA-N |
| XLogP | 23.50 |
| TPSA | 532.76 Ų |
| H-Bond Donors | 16 |
| H-Bond Acceptors | 27 |
| Rotatable Bonds | 31 |
| Heavy Atoms | 179 |
| Complexity | — |
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2409.65 |
| LogP ≤ 5 | 23.50 |
| H-Bond Donors ≤ 5 | 16 |
| H-Bond Acceptors ≤ 10 | 27 |
| Structural Alerts | {'alert_name': 'hydroquinone', 'substructure': 'N/A'} |
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