C241H230N18O22 — CID 157427820
N-[(1S)-1-(3-tert-butylphenyl)ethyl]-3-methyl-1-[(4-phenylphenyl)methyl]indazole-5-carboxamide;(3R)-3-(3-tert-butylphenyl)-1-[3-methyl-1-[(4-phenylphenyl)methyl]indazol-6-yl]butan-1-one;heptakis(carbon dioxide);N-[(1S)-1-(3-cyclopropylphenyl)ethyl]-3-methyl-1-[(4-phenylphenyl)methyl]indazole-5-carboxamide;(3R)-3-(3-cyclopropylphenyl)-1-[3-methyl-1-[(4-phenylphenyl)methyl]indazol-6-yl]butan-1-one;N-[(1S)-1-(3-methoxyphenyl)ethyl]-3-methyl-1-[(4-phenylphenyl)methyl]indazole-5-carboxamide;(3R)-1-[3-methyl-1-[(4-phenylphenyl)methyl]indazol-6-yl]-3-(3-propan-2-ylphenyl)butan-1-one;3-methyl-1-[(4-phenylphenyl)methyl]-N-[(1S)-1-(3-propan-2-ylphenyl)ethyl]indazole-5-carboxamide (PubChem CID 157427820) has the molecular formula C241H230N18O22 and a molecular weight of 3730.59 g/mol. Its IUPAC name is N-[(1S)-1-(3-tert-butylphenyl)ethyl]-3-methyl-1-[(4-phenylphenyl)methyl]indazole-5-carboxamide;(3R)-3-(3-tert-butylphenyl)-1-[3-methyl-1-[(4-phenylphenyl)methyl]indazol-6-yl]butan-1-one;heptakis(carbon dioxide);N-[(1S)-1-(3-cyclopropylphenyl)ethyl]-3-methyl-1-[(4-phenylphenyl)methyl]indazole-5-carboxamide;(3R)-3-(3-cyclopropylphenyl)-1-[3-methyl-1-[(4-phenylphenyl)methyl]indazol-6-yl]butan-1-one;N-[(1S)-1-(3-methoxyphenyl)ethyl]-3-methyl-1-[(4-phenylphenyl)methyl]indazole-5-carboxamide;(3R)-1-[3-methyl-1-[(4-phenylphenyl)methyl]indazol-6-yl]-3-(3-propan-2-ylphenyl)butan-1-one;3-methyl-1-[(4-phenylphenyl)methyl]-N-[(1S)-1-(3-propan-2-ylphenyl)ethyl]indazole-5-carboxamide.
| Compound Name | N-[(1S)-1-(3-tert-butylphenyl)ethyl]-3-methyl-1-[(4-phenylphenyl)methyl]indazole-5-carboxamide;(3R)-3-(3-tert-butylphenyl)-1-[3-methyl-1-[(4-phenylphenyl)methyl]indazol-6-yl]butan-1-one;heptakis(carbon dioxide);N-[(1S)-1-(3-cyclopropylphenyl)ethyl]-3-methyl-1-[(4-phenylphenyl)methyl]indazole-5-carboxamide;(3R)-3-(3-cyclopropylphenyl)-1-[3-methyl-1-[(4-phenylphenyl)methyl]indazol-6-yl]butan-1-one;N-[(1S)-1-(3-methoxyphenyl)ethyl]-3-methyl-1-[(4-phenylphenyl)methyl]indazole-5-carboxamide;(3R)-1-[3-methyl-1-[(4-phenylphenyl)methyl]indazol-6-yl]-3-(3-propan-2-ylphenyl)butan-1-one;3-methyl-1-[(4-phenylphenyl)methyl]-N-[(1S)-1-(3-propan-2-ylphenyl)ethyl]indazole-5-carboxamide |
|---|---|
| PubChem CID | 157427820 |
| Molecular Formula | C241H230N18O22 |
| Molecular Weight | 3730.59 g/mol |
| Exact Mass | 3727.74 |
| IUPAC Name | N-[(1S)-1-(3-tert-butylphenyl)ethyl]-3-methyl-1-[(4-phenylphenyl)methyl]indazole-5-carboxamide;(3R)-3-(3-tert-butylphenyl)-1-[3-methyl-1-[(4-phenylphenyl)methyl]indazol-6-yl]butan-1-one;heptakis(carbon dioxide);N-[(1S)-1-(3-cyclopropylphenyl)ethyl]-3-methyl-1-[(4-phenylphenyl)methyl]indazole-5-carboxamide;(3R)-3-(3-cyclopropylphenyl)-1-[3-methyl-1-[(4-phenylphenyl)methyl]indazol-6-yl]butan-1-one;N-[(1S)-1-(3-methoxyphenyl)ethyl]-3-methyl-1-[(4-phenylphenyl)methyl]indazole-5-carboxamide;(3R)-1-[3-methyl-1-[(4-phenylphenyl)methyl]indazol-6-yl]-3-(3-propan-2-ylphenyl)butan-1-one;3-methyl-1-[(4-phenylphenyl)methyl]-N-[(1S)-1-(3-propan-2-ylphenyl)ethyl]indazole-5-carboxamide |
| SMILES | COc1cccc([C@H](C)NC(=O)c2ccc3c(c2)c(C)nn3Cc2ccc(-c3ccccc3)cc2)c1.Cc1nn(Cc2ccc(-c3ccccc3)cc2)c2cc(C(=O)C[C@@H](C)c3cccc(C(C)(C)C)c3)ccc12.Cc1nn(Cc2ccc(-c3ccccc3)cc2)c2cc(C(=O)C[C@@H](C)c3cccc(C(C)C)c3)ccc12.Cc1nn(Cc2ccc(-c3ccccc3)cc2)c2cc(C(=O)C[C@@H](C)c3cccc(C4CC4)c3)ccc12.Cc1nn(Cc2ccc(-c3ccccc3)cc2)c2ccc(C(=O)N[C@@H](C)c3cccc(C(C)(C)C)c3)cc12.Cc1nn(Cc2ccc(-c3ccccc3)cc2)c2ccc(C(=O)N[C@@H](C)c3cccc(C(C)C)c3)cc12.Cc1nn(Cc2ccc(-c3ccccc3)cc2)c2ccc(C(=O)N[C@@H](C)c3cccc(C4CC4)c3)cc12.O=C=O.O=C=O.O=C=O.O=C=O.O=C=O.O=C=O.O=C=O |
| InChI | InChI=1S/C35H36N2O.C34H35N3O.C34H32N2O.C34H34N2O.C33H31N3O.C33H33N3O.C31H29N3O2.7CO2/c1-24(29-12-9-13-31(21-29)35(3,4)5)20-34(38)30-18-19-32-25(2)36-37(33(32)22-30)23-26-14-16-28(17-15-26)27-10-7-6-8-11-27;1-23(28-12-9-13-30(20-28)34(3,4)5)35-33(38)29-18-19-32-31(21-29)24(2)36-37(32)22-25-14-16-27(17-15-25)26-10-7-6-8-11-26;1-23(29-9-6-10-30(20-29)28-15-16-28)19-34(37)31-17-18-32-24(2)35-36(33(32)21-31)22-25-11-13-27(14-12-25)26-7-4-3-5-8-26;1-23(2)29-11-8-12-30(20-29)24(3)19-34(37)31-17-18-32-25(4)35-36(33(32)21-31)22-26-13-15-28(16-14-26)27-9-6-5-7-10-27;1-22(28-9-6-10-29(19-28)27-15-16-27)34-33(37)30-17-18-32-31(20-30)23(2)35-36(32)21-24-11-13-26(14-12-24)25-7-4-3-5-8-25;1-22(2)28-11-8-12-29(19-28)23(3)34-33(37)30-17-18-32-31(20-30)24(4)35-36(32)21-25-13-15-27(16-14-25)26-9-6-5-7-10-26;1-21(26-10-7-11-28(18-26)36-3)32-31(35)27-16-17-30-29(19-27)22(2)33-34(30)20-23-12-14-25(15-13-23)24-8-5-4-6-9-24;7*2-1-3/h6-19,21-22,24H,20,23H2,1-5H3;6-21,23H,22H2,1-5H3,(H,35,38);3-14,17-18,20-21,23,28H,15-16,19,22H2,1-2H3;5-18,20-21,23-24H,19,22H2,1-4H3;3-14,17-20,22,27H,15-16,21H2,1-2H3,(H,34,37);5-20,22-23H,21H2,1-4H3,(H,34,37);4-19,21H,20H2,1-3H3,(H,32,35);;;;;;;/t24-;2*23-;24-;22-;23-;21-;;;;;;;/m1011000......./s1 |
| InChIKey | BQEAQGWEUZCPRM-BQQVVDLCSA-N |
| XLogP | 51.03 |
| TPSA | 540.56 Ų |
| H-Bond Donors | 4 |
| H-Bond Acceptors | 36 |
| Rotatable Bonds | 50 |
| Heavy Atoms | 281 |
| Complexity | — |
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 3730.59 |
| LogP ≤ 5 | 51.03 |
| H-Bond Donors ≤ 5 | 4 |
| H-Bond Acceptors ≤ 10 | 36 |