C130H109N21O14 — CID 159538752
N-(1,3-benzodioxol-5-ylmethyl)-3-pyridin-3-yl-1H-indazole-5-carboxamide;N-(cyclopropylmethyl)-3-naphthalen-2-yl-1H-indazole-5-carboxamide;N-[[(2R)-3,4-dihydro-2H-chromen-2-yl]methyl]-3-pyridin-2-yl-1H-indazole-5-carboxamide;N-[2-(furan-2-yl)-2-oxoethyl]-3-naphthalen-2-yl-1H-indazole-5-carboxamide;N-(1-methoxybutan-2-yl)-3-pyridin-2-yl-1H-indazole-5-carboxamide;3-naphthalen-2-yl-N-[(3R)-2-oxooxolan-3-yl]-1H-indazole-5-carboxamide (PubChem CID 159538752) has the molecular formula C130H109N21O14 and a molecular weight of 2189.43 g/mol. Its IUPAC name is N-(1,3-benzodioxol-5-ylmethyl)-3-pyridin-3-yl-1H-indazole-5-carboxamide;N-(cyclopropylmethyl)-3-naphthalen-2-yl-1H-indazole-5-carboxamide;N-[[(2R)-3,4-dihydro-2H-chromen-2-yl]methyl]-3-pyridin-2-yl-1H-indazole-5-carboxamide;N-[2-(furan-2-yl)-2-oxoethyl]-3-naphthalen-2-yl-1H-indazole-5-carboxamide;N-(1-methoxybutan-2-yl)-3-pyridin-2-yl-1H-indazole-5-carboxamide;3-naphthalen-2-yl-N-[(3R)-2-oxooxolan-3-yl]-1H-indazole-5-carboxamide.
| Compound Name | N-(1,3-benzodioxol-5-ylmethyl)-3-pyridin-3-yl-1H-indazole-5-carboxamide;N-(cyclopropylmethyl)-3-naphthalen-2-yl-1H-indazole-5-carboxamide;N-[[(2R)-3,4-dihydro-2H-chromen-2-yl]methyl]-3-pyridin-2-yl-1H-indazole-5-carboxamide;N-[2-(furan-2-yl)-2-oxoethyl]-3-naphthalen-2-yl-1H-indazole-5-carboxamide;N-(1-methoxybutan-2-yl)-3-pyridin-2-yl-1H-indazole-5-carboxamide;3-naphthalen-2-yl-N-[(3R)-2-oxooxolan-3-yl]-1H-indazole-5-carboxamide |
|---|---|
| PubChem CID | 159538752 |
| Molecular Formula | C130H109N21O14 |
| Molecular Weight | 2189.43 g/mol |
| Exact Mass | 2187.85 |
| IUPAC Name | N-(1,3-benzodioxol-5-ylmethyl)-3-pyridin-3-yl-1H-indazole-5-carboxamide;N-(cyclopropylmethyl)-3-naphthalen-2-yl-1H-indazole-5-carboxamide;N-[[(2R)-3,4-dihydro-2H-chromen-2-yl]methyl]-3-pyridin-2-yl-1H-indazole-5-carboxamide;N-[2-(furan-2-yl)-2-oxoethyl]-3-naphthalen-2-yl-1H-indazole-5-carboxamide;N-(1-methoxybutan-2-yl)-3-pyridin-2-yl-1H-indazole-5-carboxamide;3-naphthalen-2-yl-N-[(3R)-2-oxooxolan-3-yl]-1H-indazole-5-carboxamide |
| SMILES | CCC(COC)NC(=O)c1ccc2[nH]nc(-c3ccccn3)c2c1.O=C(NCC(=O)c1ccco1)c1ccc2[nH]nc(-c3ccc4ccccc4c3)c2c1.O=C(NCC1CC1)c1ccc2[nH]nc(-c3ccc4ccccc4c3)c2c1.O=C(NC[C@H]1CCc2ccccc2O1)c1ccc2[nH]nc(-c3ccccn3)c2c1.O=C(NCc1ccc2c(c1)OCO2)c1ccc2[nH]nc(-c3cccnc3)c2c1.O=C(N[C@@H]1CCOC1=O)c1ccc2[nH]nc(-c3ccc4ccccc4c3)c2c1 |
| InChI | InChI=1S/C24H17N3O3.C23H20N4O2.C22H17N3O3.C22H19N3O.C21H16N4O3.C18H20N4O2/c28-21(22-6-3-11-30-22)14-25-24(29)18-9-10-20-19(13-18)23(27-26-20)17-8-7-15-4-1-2-5-16(15)12-17;28-23(25-14-17-10-8-15-5-1-2-7-21(15)29-17)16-9-11-19-18(13-16)22(27-26-19)20-6-3-4-12-24-20;26-21(23-19-9-10-28-22(19)27)16-7-8-18-17(12-16)20(25-24-18)15-6-5-13-3-1-2-4-14(13)11-15;26-22(23-13-14-5-6-14)18-9-10-20-19(12-18)21(25-24-20)17-8-7-15-3-1-2-4-16(15)11-17;26-21(23-10-13-3-6-18-19(8-13)28-12-27-18)14-4-5-17-16(9-14)20(25-24-17)15-2-1-7-22-11-15;1-3-13(11-24-2)20-18(23)12-7-8-15-14(10-12)17(22-21-15)16-6-4-5-9-19-16/h1-13H,14H2,(H,25,29)(H,26,27);1-7,9,11-13,17H,8,10,14H2,(H,25,28)(H,26,27);1-8,11-12,19H,9-10H2,(H,23,26)(H,24,25);1-4,7-12,14H,5-6,13H2,(H,23,26)(H,24,25);1-9,11H,10,12H2,(H,23,26)(H,24,25);4-10,13H,3,11H2,1-2H3,(H,20,23)(H,21,22)/t;17-;19-;;;/m.11.../s1 |
| InChIKey | MDXSCSPJGSYANA-BSODNRQSSA-N |
| XLogP | 22.35 |
| TPSA | 478.78 Ų |
| H-Bond Donors | 12 |
| H-Bond Acceptors | 23 |
| Rotatable Bonds | 26 |
| Heavy Atoms | 165 |
| Complexity | — |
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2189.43 |
| LogP ≤ 5 | 22.35 |
| H-Bond Donors ≤ 5 | 12 |
| H-Bond Acceptors ≤ 10 | 23 |