C142H167N13O20 — CID 158325932
1-(1,3-benzodioxol-5-yl)-N-(1H-indol-7-yl)cyclopropane-1-carboxamide;tert-butyl 4-[5-[[1-(1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]-1H-indol-2-yl]piperidine-1-carboxylate;N-(2-tert-butyl-1H-indol-5-yl)-1-(4-methoxy-3-methylphenyl)cyclopropane-1-carboxamide;N-(2-tert-butyl-1H-indol-5-yl)-1-(3-methoxyphenyl)cyclopropane-1-carboxamide;N-(2-tert-butyl-1H-indol-5-yl)-4-(4-methoxyphenyl)oxane-4-carboxamide;ethyl 6-[[1-(1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]-1H-indole-5-carboxylate;molecular hydrogen (PubChem CID 158325932) has the molecular formula C142H167N13O20 and a molecular weight of 2375.97 g/mol. Its IUPAC name is 1-(1,3-benzodioxol-5-yl)-N-(1H-indol-7-yl)cyclopropane-1-carboxamide;tert-butyl 4-[5-[[1-(1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]-1H-indol-2-yl]piperidine-1-carboxylate;N-(2-tert-butyl-1H-indol-5-yl)-1-(4-methoxy-3-methylphenyl)cyclopropane-1-carboxamide;N-(2-tert-butyl-1H-indol-5-yl)-1-(3-methoxyphenyl)cyclopropane-1-carboxamide;N-(2-tert-butyl-1H-indol-5-yl)-4-(4-methoxyphenyl)oxane-4-carboxamide;ethyl 6-[[1-(1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]-1H-indole-5-carboxylate;molecular hydrogen.
| Compound Name | 1-(1,3-benzodioxol-5-yl)-N-(1H-indol-7-yl)cyclopropane-1-carboxamide;tert-butyl 4-[5-[[1-(1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]-1H-indol-2-yl]piperidine-1-carboxylate;N-(2-tert-butyl-1H-indol-5-yl)-1-(4-methoxy-3-methylphenyl)cyclopropane-1-carboxamide;N-(2-tert-butyl-1H-indol-5-yl)-1-(3-methoxyphenyl)cyclopropane-1-carboxamide;N-(2-tert-butyl-1H-indol-5-yl)-4-(4-methoxyphenyl)oxane-4-carboxamide;ethyl 6-[[1-(1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]-1H-indole-5-carboxylate;molecular hydrogen |
|---|---|
| PubChem CID | 158325932 |
| Molecular Formula | C142H167N13O20 |
| Molecular Weight | 2375.97 g/mol |
| Exact Mass | 2374.25 |
| IUPAC Name | 1-(1,3-benzodioxol-5-yl)-N-(1H-indol-7-yl)cyclopropane-1-carboxamide;tert-butyl 4-[5-[[1-(1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]-1H-indol-2-yl]piperidine-1-carboxylate;N-(2-tert-butyl-1H-indol-5-yl)-1-(4-methoxy-3-methylphenyl)cyclopropane-1-carboxamide;N-(2-tert-butyl-1H-indol-5-yl)-1-(3-methoxyphenyl)cyclopropane-1-carboxamide;N-(2-tert-butyl-1H-indol-5-yl)-4-(4-methoxyphenyl)oxane-4-carboxamide;ethyl 6-[[1-(1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]-1H-indole-5-carboxylate;molecular hydrogen |
| SMILES | CC(C)(C)OC(=O)N1CCC(c2cc3cc(NC(=O)C4(c5ccc6c(c5)OCO6)CC4)ccc3[nH]2)CC1.CCOC(=O)c1cc2cc[nH]c2cc1NC(=O)C1(c2ccc3c(c2)OCO3)CC1.COc1ccc(C2(C(=O)Nc3ccc4[nH]c(C(C)(C)C)cc4c3)CC2)cc1C.COc1ccc(C2(C(=O)Nc3ccc4[nH]c(C(C)(C)C)cc4c3)CCOCC2)cc1.COc1cccc(C2(C(=O)Nc3ccc4[nH]c(C(C)(C)C)cc4c3)CC2)c1.O=C(Nc1cccc2cc[nH]c12)C1(c2ccc3c(c2)OCO3)CC1.[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H] |
| InChI | InChI=1S/C29H33N3O5.C25H30N2O3.C24H28N2O2.C23H26N2O2.C22H20N2O5.C19H16N2O3.7H2/c1-28(2,3)37-27(34)32-12-8-18(9-13-32)23-15-19-14-21(5-6-22(19)31-23)30-26(33)29(10-11-29)20-4-7-24-25(16-20)36-17-35-24;1-24(2,3)22-16-17-15-19(7-10-21(17)27-22)26-23(28)25(11-13-30-14-12-25)18-5-8-20(29-4)9-6-18;1-15-12-17(6-9-20(15)28-5)24(10-11-24)22(27)25-18-7-8-19-16(13-18)14-21(26-19)23(2,3)4;1-22(2,3)20-13-15-12-17(8-9-19(15)25-20)24-21(26)23(10-11-23)16-6-5-7-18(14-16)27-4;1-2-27-20(25)15-9-13-5-8-23-16(13)11-17(15)24-21(26)22(6-7-22)14-3-4-18-19(10-14)29-12-28-18;22-18(21-14-3-1-2-12-6-9-20-17(12)14)19(7-8-19)13-4-5-15-16(10-13)24-11-23-15;;;;;;;/h4-7,14-16,18,31H,8-13,17H2,1-3H3,(H,30,33);5-10,15-16,27H,11-14H2,1-4H3,(H,26,28);6-9,12-14,26H,10-11H2,1-5H3,(H,25,27);5-9,12-14,25H,10-11H2,1-4H3,(H,24,26);3-5,8-11,23H,2,6-7,12H2,1H3,(H,24,26);1-6,9-10,20H,7-8,11H2,(H,21,22);7*1H |
| InChIKey | GPKDMUHBGNNMKO-UHFFFAOYSA-N |
| XLogP | 30.47 |
| TPSA | 417.48 Ų |
| H-Bond Donors | 12 |
| H-Bond Acceptors | 20 |
| Rotatable Bonds | 24 |
| Heavy Atoms | 175 |
| Complexity | — |
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2375.97 |
| LogP ≤ 5 | 30.47 |
| H-Bond Donors ≤ 5 | 12 |
| H-Bond Acceptors ≤ 10 | 20 |