C125H121F2N27O7 — CID 159806524
5-(5-amino-3-pyridinyl)-N-phenyl-1H-indazole-3-carboxamide;5-[5-(azetidin-1-ylmethyl)-3-pyridinyl]-N-[3-[(dimethylamino)methyl]phenyl]-1H-indazole-3-carboxamide;5-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]-3-pyridinyl]-N-phenyl-1H-indazole-3-carboxamide;N-[3-[(dimethylamino)methyl]phenyl]-5-[5-[(4-hydroxypiperidin-1-yl)methyl]-3-pyridinyl]-1H-indazole-3-carboxamide;N-[3-[(dimethylamino)methyl]phenyl]-5-(5-phenoxy-3-pyridinyl)-1H-indazole-3-carboxamide (PubChem CID 159806524) has the molecular formula C125H121F2N27O7 and a molecular weight of 2151.52 g/mol. Its IUPAC name is 5-(5-amino-3-pyridinyl)-N-phenyl-1H-indazole-3-carboxamide;5-[5-(azetidin-1-ylmethyl)-3-pyridinyl]-N-[3-[(dimethylamino)methyl]phenyl]-1H-indazole-3-carboxamide;5-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]-3-pyridinyl]-N-phenyl-1H-indazole-3-carboxamide;N-[3-[(dimethylamino)methyl]phenyl]-5-[5-[(4-hydroxypiperidin-1-yl)methyl]-3-pyridinyl]-1H-indazole-3-carboxamide;N-[3-[(dimethylamino)methyl]phenyl]-5-(5-phenoxy-3-pyridinyl)-1H-indazole-3-carboxamide.
| Compound Name | 5-(5-amino-3-pyridinyl)-N-phenyl-1H-indazole-3-carboxamide;5-[5-(azetidin-1-ylmethyl)-3-pyridinyl]-N-[3-[(dimethylamino)methyl]phenyl]-1H-indazole-3-carboxamide;5-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]-3-pyridinyl]-N-phenyl-1H-indazole-3-carboxamide;N-[3-[(dimethylamino)methyl]phenyl]-5-[5-[(4-hydroxypiperidin-1-yl)methyl]-3-pyridinyl]-1H-indazole-3-carboxamide;N-[3-[(dimethylamino)methyl]phenyl]-5-(5-phenoxy-3-pyridinyl)-1H-indazole-3-carboxamide |
|---|---|
| PubChem CID | 159806524 |
| Molecular Formula | C125H121F2N27O7 |
| Molecular Weight | 2151.52 g/mol |
| Exact Mass | 2149.99 |
| IUPAC Name | 5-(5-amino-3-pyridinyl)-N-phenyl-1H-indazole-3-carboxamide;5-[5-(azetidin-1-ylmethyl)-3-pyridinyl]-N-[3-[(dimethylamino)methyl]phenyl]-1H-indazole-3-carboxamide;5-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]-3-pyridinyl]-N-phenyl-1H-indazole-3-carboxamide;N-[3-[(dimethylamino)methyl]phenyl]-5-[5-[(4-hydroxypiperidin-1-yl)methyl]-3-pyridinyl]-1H-indazole-3-carboxamide;N-[3-[(dimethylamino)methyl]phenyl]-5-(5-phenoxy-3-pyridinyl)-1H-indazole-3-carboxamide |
| SMILES | CN(C)Cc1cccc(NC(=O)c2n[nH]c3ccc(-c4cncc(CN5CCC(O)CC5)c4)cc23)c1.CN(C)Cc1cccc(NC(=O)c2n[nH]c3ccc(-c4cncc(CN5CCC5)c4)cc23)c1.CN(C)Cc1cccc(NC(=O)c2n[nH]c3ccc(-c4cncc(Oc5ccccc5)c4)cc23)c1.Nc1cncc(-c2ccc3[nH]nc(C(=O)Nc4ccccc4)c3c2)c1.O=C(Nc1ccccc1)c1n[nH]c2ccc(-c3cncc(CN4CCC(F)(F)C4)c3)cc12 |
| InChI | InChI=1S/C28H32N6O2.C28H25N5O2.C26H28N6O.C24H21F2N5O.C19H15N5O/c1-33(2)17-19-4-3-5-23(13-19)30-28(36)27-25-14-21(6-7-26(25)31-32-27)22-12-20(15-29-16-22)18-34-10-8-24(35)9-11-34;1-33(2)18-19-7-6-8-22(13-19)30-28(34)27-25-15-20(11-12-26(25)31-32-27)21-14-24(17-29-16-21)35-23-9-4-3-5-10-23;1-31(2)16-18-5-3-6-22(12-18)28-26(33)25-23-13-20(7-8-24(23)29-30-25)21-11-19(14-27-15-21)17-32-9-4-10-32;25-24(26)8-9-31(15-24)14-16-10-18(13-27-12-16)17-6-7-21-20(11-17)22(30-29-21)23(32)28-19-4-2-1-3-5-19;20-14-8-13(10-21-11-14)12-6-7-17-16(9-12)18(24-23-17)19(25)22-15-4-2-1-3-5-15/h3-7,12-16,24,35H,8-11,17-18H2,1-2H3,(H,30,36)(H,31,32);3-17H,18H2,1-2H3,(H,30,34)(H,31,32);3,5-8,11-15H,4,9-10,16-17H2,1-2H3,(H,28,33)(H,29,30);1-7,10-13H,8-9,14-15H2,(H,28,32)(H,29,30);1-11H,20H2,(H,22,25)(H,23,24) |
| InChIKey | NKLTWWVAAGTSFA-UHFFFAOYSA-N |
| XLogP | 21.95 |
| TPSA | 428.27 Ų |
| H-Bond Donors | 12 |
| H-Bond Acceptors | 24 |
| Rotatable Bonds | 29 |
| Heavy Atoms | 161 |
| Complexity | — |
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2151.52 |
| LogP ≤ 5 | 21.95 |
| H-Bond Donors ≤ 5 | 12 |
| H-Bond Acceptors ≤ 10 | 24 |