C120H102N16O10S — CID 159709550
N-[3-(1-benzofuran-2-yl)-1H-indazol-5-yl]-2-pyridin-3-ylacetamide;N-[3-(1-benzothiophen-2-yl)-1H-indazol-5-yl]-4-hydroxycyclohexane-1-carboxamide;4-(hydroxymethyl)-N-(3-naphthalen-2-yl-1H-indazol-5-yl)benzamide;2-hydroxy-N-(3-naphthalen-2-yl-1H-indazol-5-yl)-3-phenylpropanamide;4-methoxy-N-(3-naphthalen-2-yl-1H-indazol-5-yl)cyclohexane-1-carboxamide (PubChem CID 159709550) has the molecular formula C120H102N16O10S and a molecular weight of 1960.30 g/mol. Its IUPAC name is N-[3-(1-benzofuran-2-yl)-1H-indazol-5-yl]-2-pyridin-3-ylacetamide;N-[3-(1-benzothiophen-2-yl)-1H-indazol-5-yl]-4-hydroxycyclohexane-1-carboxamide;4-(hydroxymethyl)-N-(3-naphthalen-2-yl-1H-indazol-5-yl)benzamide;2-hydroxy-N-(3-naphthalen-2-yl-1H-indazol-5-yl)-3-phenylpropanamide;4-methoxy-N-(3-naphthalen-2-yl-1H-indazol-5-yl)cyclohexane-1-carboxamide.
| Compound Name | N-[3-(1-benzofuran-2-yl)-1H-indazol-5-yl]-2-pyridin-3-ylacetamide;N-[3-(1-benzothiophen-2-yl)-1H-indazol-5-yl]-4-hydroxycyclohexane-1-carboxamide;4-(hydroxymethyl)-N-(3-naphthalen-2-yl-1H-indazol-5-yl)benzamide;2-hydroxy-N-(3-naphthalen-2-yl-1H-indazol-5-yl)-3-phenylpropanamide;4-methoxy-N-(3-naphthalen-2-yl-1H-indazol-5-yl)cyclohexane-1-carboxamide |
|---|---|
| PubChem CID | 159709550 |
| Molecular Formula | C120H102N16O10S |
| Molecular Weight | 1960.30 g/mol |
| Exact Mass | 1958.77 |
| IUPAC Name | N-[3-(1-benzofuran-2-yl)-1H-indazol-5-yl]-2-pyridin-3-ylacetamide;N-[3-(1-benzothiophen-2-yl)-1H-indazol-5-yl]-4-hydroxycyclohexane-1-carboxamide;4-(hydroxymethyl)-N-(3-naphthalen-2-yl-1H-indazol-5-yl)benzamide;2-hydroxy-N-(3-naphthalen-2-yl-1H-indazol-5-yl)-3-phenylpropanamide;4-methoxy-N-(3-naphthalen-2-yl-1H-indazol-5-yl)cyclohexane-1-carboxamide |
| SMILES | COC1CCC(C(=O)Nc2ccc3[nH]nc(-c4ccc5ccccc5c4)c3c2)CC1.O=C(Cc1cccnc1)Nc1ccc2[nH]nc(-c3cc4ccccc4o3)c2c1.O=C(Nc1ccc2[nH]nc(-c3cc4ccccc4s3)c2c1)C1CCC(O)CC1.O=C(Nc1ccc2[nH]nc(-c3ccc4ccccc4c3)c2c1)C(O)Cc1ccccc1.O=C(Nc1ccc2[nH]nc(-c3ccc4ccccc4c3)c2c1)c1ccc(CO)cc1 |
| InChI | InChI=1S/C26H21N3O2.C25H25N3O2.C25H19N3O2.C22H16N4O2.C22H21N3O2S/c30-24(14-17-6-2-1-3-7-17)26(31)27-21-12-13-23-22(16-21)25(29-28-23)20-11-10-18-8-4-5-9-19(18)15-20;1-30-21-11-8-17(9-12-21)25(29)26-20-10-13-23-22(15-20)24(28-27-23)19-7-6-16-4-2-3-5-18(16)14-19;29-15-16-5-7-18(8-6-16)25(30)26-21-11-12-23-22(14-21)24(28-27-23)20-10-9-17-3-1-2-4-19(17)13-20;27-21(10-14-4-3-9-23-13-14)24-16-7-8-18-17(12-16)22(26-25-18)20-11-15-5-1-2-6-19(15)28-20;26-16-8-5-13(6-9-16)22(27)23-15-7-10-18-17(12-15)21(25-24-18)20-11-14-3-1-2-4-19(14)28-20/h1-13,15-16,24,30H,14H2,(H,27,31)(H,28,29);2-7,10,13-15,17,21H,8-9,11-12H2,1H3,(H,26,29)(H,27,28);1-14,29H,15H2,(H,26,30)(H,27,28);1-9,11-13H,10H2,(H,24,27)(H,25,26);1-4,7,10-13,16,26H,5-6,8-9H2,(H,23,27)(H,24,25) |
| InChIKey | MYQOTYSELUVEON-UHFFFAOYSA-N |
| XLogP | 25.07 |
| TPSA | 384.85 Ų |
| H-Bond Donors | 13 |
| H-Bond Acceptors | 17 |
| Rotatable Bonds | 20 |
| Heavy Atoms | 147 |
| Complexity | — |
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 1960.30 |
| LogP ≤ 5 | 25.07 |
| H-Bond Donors ≤ 5 | 13 |
| H-Bond Acceptors ≤ 10 | 17 |