C217H201N39O14S — CID 162250990
N-[1-(4-benzamidophenyl)indazol-5-yl]-4-(4-methylpiperidin-1-yl)benzamide;N-[4-[5-(1H-indene-5-carbonylamino)indazol-1-yl]phenyl]-2-methylpyrazole-3-carboxamide;N-[4-[5-(1H-indene-5-carbonylamino)indazol-1-yl]phenyl]-1-methylpyrrole-2-carboxamide;1-methyl-N-[4-[5-[[4-(4-methylpiperidin-1-yl)benzoyl]amino]indazol-1-yl]phenyl]pyrrole-2-carboxamide;4-methyl-N-[4-[5-[[4-(4-methylpiperidin-1-yl)benzoyl]amino]indazol-1-yl]phenyl]-1H-pyrrole-2-carboxamide;N-[4-[5-[[4-(4-methylpiperidin-1-yl)benzoyl]amino]indazol-1-yl]phenyl]-1H-pyrrole-3-carboxamide;4-(4-methylpiperidin-1-yl)-N-[1-[4-[2-(5-methyl-1,3-thiazol-2-yl)acetyl]phenyl]indazol-5-yl]benzamide (PubChem CID 162250990) has the molecular formula C217H201N39O14S and a molecular weight of 3611.32 g/mol. Its IUPAC name is N-[1-(4-benzamidophenyl)indazol-5-yl]-4-(4-methylpiperidin-1-yl)benzamide;N-[4-[5-(1H-indene-5-carbonylamino)indazol-1-yl]phenyl]-2-methylpyrazole-3-carboxamide;N-[4-[5-(1H-indene-5-carbonylamino)indazol-1-yl]phenyl]-1-methylpyrrole-2-carboxamide;1-methyl-N-[4-[5-[[4-(4-methylpiperidin-1-yl)benzoyl]amino]indazol-1-yl]phenyl]pyrrole-2-carboxamide;4-methyl-N-[4-[5-[[4-(4-methylpiperidin-1-yl)benzoyl]amino]indazol-1-yl]phenyl]-1H-pyrrole-2-carboxamide;N-[4-[5-[[4-(4-methylpiperidin-1-yl)benzoyl]amino]indazol-1-yl]phenyl]-1H-pyrrole-3-carboxamide;4-(4-methylpiperidin-1-yl)-N-[1-[4-[2-(5-methyl-1,3-thiazol-2-yl)acetyl]phenyl]indazol-5-yl]benzamide.
| Compound Name | N-[1-(4-benzamidophenyl)indazol-5-yl]-4-(4-methylpiperidin-1-yl)benzamide;N-[4-[5-(1H-indene-5-carbonylamino)indazol-1-yl]phenyl]-2-methylpyrazole-3-carboxamide;N-[4-[5-(1H-indene-5-carbonylamino)indazol-1-yl]phenyl]-1-methylpyrrole-2-carboxamide;1-methyl-N-[4-[5-[[4-(4-methylpiperidin-1-yl)benzoyl]amino]indazol-1-yl]phenyl]pyrrole-2-carboxamide;4-methyl-N-[4-[5-[[4-(4-methylpiperidin-1-yl)benzoyl]amino]indazol-1-yl]phenyl]-1H-pyrrole-2-carboxamide;N-[4-[5-[[4-(4-methylpiperidin-1-yl)benzoyl]amino]indazol-1-yl]phenyl]-1H-pyrrole-3-carboxamide;4-(4-methylpiperidin-1-yl)-N-[1-[4-[2-(5-methyl-1,3-thiazol-2-yl)acetyl]phenyl]indazol-5-yl]benzamide |
|---|---|
| PubChem CID | 162250990 |
| Molecular Formula | C217H201N39O14S |
| Molecular Weight | 3611.32 g/mol |
| Exact Mass | 3608.59 |
| IUPAC Name | N-[1-(4-benzamidophenyl)indazol-5-yl]-4-(4-methylpiperidin-1-yl)benzamide;N-[4-[5-(1H-indene-5-carbonylamino)indazol-1-yl]phenyl]-2-methylpyrazole-3-carboxamide;N-[4-[5-(1H-indene-5-carbonylamino)indazol-1-yl]phenyl]-1-methylpyrrole-2-carboxamide;1-methyl-N-[4-[5-[[4-(4-methylpiperidin-1-yl)benzoyl]amino]indazol-1-yl]phenyl]pyrrole-2-carboxamide;4-methyl-N-[4-[5-[[4-(4-methylpiperidin-1-yl)benzoyl]amino]indazol-1-yl]phenyl]-1H-pyrrole-2-carboxamide;N-[4-[5-[[4-(4-methylpiperidin-1-yl)benzoyl]amino]indazol-1-yl]phenyl]-1H-pyrrole-3-carboxamide;4-(4-methylpiperidin-1-yl)-N-[1-[4-[2-(5-methyl-1,3-thiazol-2-yl)acetyl]phenyl]indazol-5-yl]benzamide |
| SMILES | CC1CCN(c2ccc(C(=O)Nc3ccc4c(cnn4-c4ccc(NC(=O)c5cc[nH]c5)cc4)c3)cc2)CC1.CC1CCN(c2ccc(C(=O)Nc3ccc4c(cnn4-c4ccc(NC(=O)c5ccccc5)cc4)c3)cc2)CC1.CC1CCN(c2ccc(C(=O)Nc3ccc4c(cnn4-c4ccc(NC(=O)c5cccn5C)cc4)c3)cc2)CC1.Cc1c[nH]c(C(=O)Nc2ccc(-n3ncc4cc(NC(=O)c5ccc(N6CCC(C)CC6)cc5)ccc43)cc2)c1.Cc1cnc(CC(=O)c2ccc(-n3ncc4cc(NC(=O)c5ccc(N6CCC(C)CC6)cc5)ccc43)cc2)s1.Cn1cccc1C(=O)Nc1ccc(-n2ncc3cc(NC(=O)c4ccc5c(c4)C=CC5)ccc32)cc1.Cn1nccc1C(=O)Nc1ccc(-n2ncc3cc(NC(=O)c4ccc5c(c4)C=CC5)ccc32)cc1 |
| InChI | InChI=1S/C33H31N5O2.2C32H32N6O2.C32H31N5O2S.C31H30N6O2.C29H23N5O2.C28H22N6O2/c1-23-17-19-37(20-18-23)29-12-7-25(8-13-29)33(40)36-28-11-16-31-26(21-28)22-34-38(31)30-14-9-27(10-15-30)35-32(39)24-5-3-2-4-6-24;1-21-13-15-37(16-14-21)27-8-3-23(4-9-27)31(39)36-26-7-12-30-24(18-26)20-34-38(30)28-10-5-25(6-11-28)35-32(40)29-17-22(2)19-33-29;1-22-15-18-37(19-16-22)27-10-5-23(6-11-27)31(39)35-26-9-14-29-24(20-26)21-33-38(29)28-12-7-25(8-13-28)34-32(40)30-4-3-17-36(30)2;1-21-13-15-36(16-14-21)27-8-5-24(6-9-27)32(39)35-26-7-12-29-25(17-26)20-34-37(29)28-10-3-23(4-11-28)30(38)18-31-33-19-22(2)40-31;1-21-13-16-36(17-14-21)27-7-2-22(3-8-27)30(38)35-26-6-11-29-24(18-26)20-33-37(29)28-9-4-25(5-10-28)34-31(39)23-12-15-32-19-23;1-33-15-3-6-27(33)29(36)31-23-9-12-25(13-10-23)34-26-14-11-24(17-22(26)18-30-34)32-28(35)21-8-7-19-4-2-5-20(19)16-21;1-33-26(13-14-29-33)28(36)31-22-7-10-24(11-8-22)34-25-12-9-23(16-21(25)17-30-34)32-27(35)20-6-5-18-3-2-4-19(18)15-20/h2-16,21-23H,17-20H2,1H3,(H,35,39)(H,36,40);3-12,17-21,33H,13-16H2,1-2H3,(H,35,40)(H,36,39);3-14,17,20-22H,15-16,18-19H2,1-2H3,(H,34,40)(H,35,39);3-12,17,19-21H,13-16,18H2,1-2H3,(H,35,39);2-12,15,18-21,32H,13-14,16-17H2,1H3,(H,34,39)(H,35,38);2-3,5-18H,4H2,1H3,(H,31,36)(H,32,35);2,4-17H,3H2,1H3,(H,31,36)(H,32,35) |
| InChIKey | ZXZILEQDIJHPOO-UHFFFAOYSA-N |
| XLogP | 42.34 |
| TPSA | 608.46 Ų |
| H-Bond Donors | 15 |
| H-Bond Acceptors | 39 |
| Rotatable Bonds | 41 |
| Heavy Atoms | 271 |
| Complexity | — |
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 3611.32 |
| LogP ≤ 5 | 42.34 |
| H-Bond Donors ≤ 5 | 15 |
| H-Bond Acceptors ≤ 10 | 39 |