C194H175N23O12S4 — CID 158533834
2-[4-[5-[2-[4-(cyclohexylmethyl)phenyl]-2-oxoethyl]indazol-1-yl]phenyl]-1-thiophen-2-ylethanone;N-[4-[5-[[4-(4-methylpiperidin-1-yl)benzoyl]amino]indazol-1-yl]phenyl]pyridine-4-carboxamide;2-[4-[5-[2-[4-(4-methylpiperidin-1-yl)phenyl]-2-oxoethyl]indazol-1-yl]phenyl]-1-pyrimidin-5-ylethanone;2-[4-[5-[2-[4-(3-methylpiperidin-1-yl)phenyl]-2-oxoethyl]indazol-1-yl]phenyl]-1-thiophen-2-ylethanone;2-[4-[5-[2-oxo-2-(4-piperidin-1-ylphenyl)ethyl]indazol-1-yl]phenyl]-1-(1,3-thiazol-2-yl)ethanone;2-[4-[5-[2-oxo-2-(4-pyrrol-1-ylphenyl)ethyl]indazol-1-yl]phenyl]-1-thiophen-2-ylethanone (PubChem CID 158533834) has the molecular formula C194H175N23O12S4 and a molecular weight of 3148.95 g/mol. Its IUPAC name is 2-[4-[5-[2-[4-(cyclohexylmethyl)phenyl]-2-oxoethyl]indazol-1-yl]phenyl]-1-thiophen-2-ylethanone;N-[4-[5-[[4-(4-methylpiperidin-1-yl)benzoyl]amino]indazol-1-yl]phenyl]pyridine-4-carboxamide;2-[4-[5-[2-[4-(4-methylpiperidin-1-yl)phenyl]-2-oxoethyl]indazol-1-yl]phenyl]-1-pyrimidin-5-ylethanone;2-[4-[5-[2-[4-(3-methylpiperidin-1-yl)phenyl]-2-oxoethyl]indazol-1-yl]phenyl]-1-thiophen-2-ylethanone;2-[4-[5-[2-oxo-2-(4-piperidin-1-ylphenyl)ethyl]indazol-1-yl]phenyl]-1-(1,3-thiazol-2-yl)ethanone;2-[4-[5-[2-oxo-2-(4-pyrrol-1-ylphenyl)ethyl]indazol-1-yl]phenyl]-1-thiophen-2-ylethanone.
| Compound Name | 2-[4-[5-[2-[4-(cyclohexylmethyl)phenyl]-2-oxoethyl]indazol-1-yl]phenyl]-1-thiophen-2-ylethanone;N-[4-[5-[[4-(4-methylpiperidin-1-yl)benzoyl]amino]indazol-1-yl]phenyl]pyridine-4-carboxamide;2-[4-[5-[2-[4-(4-methylpiperidin-1-yl)phenyl]-2-oxoethyl]indazol-1-yl]phenyl]-1-pyrimidin-5-ylethanone;2-[4-[5-[2-[4-(3-methylpiperidin-1-yl)phenyl]-2-oxoethyl]indazol-1-yl]phenyl]-1-thiophen-2-ylethanone;2-[4-[5-[2-oxo-2-(4-piperidin-1-ylphenyl)ethyl]indazol-1-yl]phenyl]-1-(1,3-thiazol-2-yl)ethanone;2-[4-[5-[2-oxo-2-(4-pyrrol-1-ylphenyl)ethyl]indazol-1-yl]phenyl]-1-thiophen-2-ylethanone |
|---|---|
| PubChem CID | 158533834 |
| Molecular Formula | C194H175N23O12S4 |
| Molecular Weight | 3148.95 g/mol |
| Exact Mass | 3146.27 |
| IUPAC Name | 2-[4-[5-[2-[4-(cyclohexylmethyl)phenyl]-2-oxoethyl]indazol-1-yl]phenyl]-1-thiophen-2-ylethanone;N-[4-[5-[[4-(4-methylpiperidin-1-yl)benzoyl]amino]indazol-1-yl]phenyl]pyridine-4-carboxamide;2-[4-[5-[2-[4-(4-methylpiperidin-1-yl)phenyl]-2-oxoethyl]indazol-1-yl]phenyl]-1-pyrimidin-5-ylethanone;2-[4-[5-[2-[4-(3-methylpiperidin-1-yl)phenyl]-2-oxoethyl]indazol-1-yl]phenyl]-1-thiophen-2-ylethanone;2-[4-[5-[2-oxo-2-(4-piperidin-1-ylphenyl)ethyl]indazol-1-yl]phenyl]-1-(1,3-thiazol-2-yl)ethanone;2-[4-[5-[2-oxo-2-(4-pyrrol-1-ylphenyl)ethyl]indazol-1-yl]phenyl]-1-thiophen-2-ylethanone |
| SMILES | CC1CCCN(c2ccc(C(=O)Cc3ccc4c(cnn4-c4ccc(CC(=O)c5cccs5)cc4)c3)cc2)C1.CC1CCN(c2ccc(C(=O)Cc3ccc4c(cnn4-c4ccc(CC(=O)c5cncnc5)cc4)c3)cc2)CC1.CC1CCN(c2ccc(C(=O)Nc3ccc4c(cnn4-c4ccc(NC(=O)c5ccncc5)cc4)c3)cc2)CC1.O=C(Cc1ccc2c(cnn2-c2ccc(CC(=O)c3cccs3)cc2)c1)c1ccc(-n2cccc2)cc1.O=C(Cc1ccc2c(cnn2-c2ccc(CC(=O)c3cccs3)cc2)c1)c1ccc(CC2CCCCC2)cc1.O=C(Cc1ccc2c(cnn2-c2ccc(CC(=O)c3nccs3)cc2)c1)c1ccc(N2CCCCC2)cc1 |
| InChI | InChI=1S/C34H32N2O2S.C33H31N5O2.C33H31N3O2S.C32H30N6O2.C31H28N4O2S.C31H23N3O2S/c37-32(28-13-8-25(9-14-28)19-24-5-2-1-3-6-24)22-27-12-17-31-29(20-27)23-35-36(31)30-15-10-26(11-16-30)21-33(38)34-7-4-18-39-34;1-23-12-14-37(15-13-23)29-9-5-26(6-10-29)32(39)18-25-4-11-31-27(16-25)21-36-38(31)30-7-2-24(3-8-30)17-33(40)28-19-34-22-35-20-28;1-23-4-2-16-35(22-23)28-13-9-26(10-14-28)31(37)20-25-8-15-30-27(18-25)21-34-36(30)29-11-6-24(7-12-29)19-32(38)33-5-3-17-39-33;1-22-14-18-37(19-15-22)28-7-2-23(3-8-28)31(39)36-27-6-11-30-25(20-27)21-34-38(30)29-9-4-26(5-10-29)35-32(40)24-12-16-33-17-13-24;36-29(24-7-11-26(12-8-24)34-15-2-1-3-16-34)20-23-6-13-28-25(18-23)21-33-35(28)27-9-4-22(5-10-27)19-30(37)31-32-14-17-38-31;35-29(24-8-12-26(13-9-24)33-15-1-2-16-33)20-23-7-14-28-25(18-23)21-32-34(28)27-10-5-22(6-11-27)19-30(36)31-4-3-17-37-31/h4,7-18,20,23-24H,1-3,5-6,19,21-22H2;2-11,16,19-23H,12-15,17-18H2,1H3;3,5-15,17-18,21,23H,2,4,16,19-20,22H2,1H3;2-13,16-17,20-22H,14-15,18-19H2,1H3,(H,35,40)(H,36,39);4-14,17-18,21H,1-3,15-16,19-20H2;1-18,21H,19-20H2 |
| InChIKey | HNRXMKNFNDKDDZ-UHFFFAOYSA-N |
| XLogP | 40.35 |
| TPSA | 405.27 Ų |
| H-Bond Donors | 2 |
| H-Bond Acceptors | 37 |
| Rotatable Bonds | 47 |
| Heavy Atoms | 233 |
| Complexity | — |
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 3148.95 |
| LogP ≤ 5 | 40.35 |
| H-Bond Donors ≤ 5 | 2 |
| H-Bond Acceptors ≤ 10 | 37 |