C116H152F4N30O12 — CID 167709853
1-[2-amino-5-(3-fluoropyrrolidin-1-yl)-5-oxopentanoyl]-N-[(1-methylbenzotriazol-5-yl)methyl]-4-(trifluoromethyl)pyrrolidine-2-carboxamide;1-(2-amino-5-oxo-5-pyrrolidin-1-ylpentanoyl)-4-[cyclohexyl(methyl)amino]-N-[(1-methylbenzotriazol-5-yl)methyl]pyrrolidine-2-carboxamide;1-(2-amino-5-oxo-5-pyrrolidin-1-ylpentanoyl)-N-[(1-methylindazol-5-yl)methyl]-4-(pyridin-4-ylmethyl)pyrrolidine-2-carboxamide;1-[2-(benzylamino)-5-oxo-5-pyrrolidin-1-ylpentanoyl]-N-[(1-methylbenzotriazol-5-yl)methyl]-4-(pyridin-4-ylmethyl)pyrrolidine-2-carboxamide (PubChem CID 167709853) has the molecular formula C116H152F4N30O12 and a molecular weight of 2234.68 g/mol. Its IUPAC name is 1-[2-amino-5-(3-fluoropyrrolidin-1-yl)-5-oxopentanoyl]-N-[(1-methylbenzotriazol-5-yl)methyl]-4-(trifluoromethyl)pyrrolidine-2-carboxamide;1-(2-amino-5-oxo-5-pyrrolidin-1-ylpentanoyl)-4-[cyclohexyl(methyl)amino]-N-[(1-methylbenzotriazol-5-yl)methyl]pyrrolidine-2-carboxamide;1-(2-amino-5-oxo-5-pyrrolidin-1-ylpentanoyl)-N-[(1-methylindazol-5-yl)methyl]-4-(pyridin-4-ylmethyl)pyrrolidine-2-carboxamide;1-[2-(benzylamino)-5-oxo-5-pyrrolidin-1-ylpentanoyl]-N-[(1-methylbenzotriazol-5-yl)methyl]-4-(pyridin-4-ylmethyl)pyrrolidine-2-carboxamide.
| Compound Name | 1-[2-amino-5-(3-fluoropyrrolidin-1-yl)-5-oxopentanoyl]-N-[(1-methylbenzotriazol-5-yl)methyl]-4-(trifluoromethyl)pyrrolidine-2-carboxamide;1-(2-amino-5-oxo-5-pyrrolidin-1-ylpentanoyl)-4-[cyclohexyl(methyl)amino]-N-[(1-methylbenzotriazol-5-yl)methyl]pyrrolidine-2-carboxamide;1-(2-amino-5-oxo-5-pyrrolidin-1-ylpentanoyl)-N-[(1-methylindazol-5-yl)methyl]-4-(pyridin-4-ylmethyl)pyrrolidine-2-carboxamide;1-[2-(benzylamino)-5-oxo-5-pyrrolidin-1-ylpentanoyl]-N-[(1-methylbenzotriazol-5-yl)methyl]-4-(pyridin-4-ylmethyl)pyrrolidine-2-carboxamide |
|---|---|
| PubChem CID | 167709853 |
| Molecular Formula | C116H152F4N30O12 |
| Molecular Weight | 2234.68 g/mol |
| Exact Mass | 2233.21 |
| IUPAC Name | 1-[2-amino-5-(3-fluoropyrrolidin-1-yl)-5-oxopentanoyl]-N-[(1-methylbenzotriazol-5-yl)methyl]-4-(trifluoromethyl)pyrrolidine-2-carboxamide;1-(2-amino-5-oxo-5-pyrrolidin-1-ylpentanoyl)-4-[cyclohexyl(methyl)amino]-N-[(1-methylbenzotriazol-5-yl)methyl]pyrrolidine-2-carboxamide;1-(2-amino-5-oxo-5-pyrrolidin-1-ylpentanoyl)-N-[(1-methylindazol-5-yl)methyl]-4-(pyridin-4-ylmethyl)pyrrolidine-2-carboxamide;1-[2-(benzylamino)-5-oxo-5-pyrrolidin-1-ylpentanoyl]-N-[(1-methylbenzotriazol-5-yl)methyl]-4-(pyridin-4-ylmethyl)pyrrolidine-2-carboxamide |
| SMILES | CN(C1CCCCC1)C1CC(C(=O)NCc2ccc3c(c2)nnn3C)N(C(=O)C(N)CCC(=O)N2CCCC2)C1.Cn1ncc2cc(CNC(=O)C3CC(Cc4ccncc4)CN3C(=O)C(N)CCC(=O)N3CCCC3)ccc21.Cn1nnc2cc(CNC(=O)C3CC(C(F)(F)F)CN3C(=O)C(N)CCC(=O)N3CCC(F)C3)ccc21.Cn1nnc2cc(CNC(=O)C3CC(Cc4ccncc4)CN3C(=O)C(CCC(=O)N3CCCC3)NCc3ccccc3)ccc21 |
| InChI | InChI=1S/C35H42N8O3.C29H44N8O3.C29H37N7O3.C23H29F4N7O3/c1-41-31-11-9-27(20-30(31)39-40-41)23-38-34(45)32-21-28(19-25-13-15-36-16-14-25)24-43(32)35(46)29(37-22-26-7-3-2-4-8-26)10-12-33(44)42-17-5-6-18-42;1-34(21-8-4-3-5-9-21)22-17-26(28(39)31-18-20-10-12-25-24(16-20)32-33-35(25)2)37(19-22)29(40)23(30)11-13-27(38)36-14-6-7-15-36;1-34-25-6-4-21(15-23(25)18-33-34)17-32-28(38)26-16-22(14-20-8-10-31-11-9-20)19-36(26)29(39)24(30)5-7-27(37)35-12-2-3-13-35;1-32-18-4-2-13(8-17(18)30-31-32)10-29-21(36)19-9-14(23(25,26)27)11-34(19)22(37)16(28)3-5-20(35)33-7-6-15(24)12-33/h2-4,7-9,11,13-16,20,28-29,32,37H,5-6,10,12,17-19,21-24H2,1H3,(H,38,45);10,12,16,21-23,26H,3-9,11,13-15,17-19,30H2,1-2H3,(H,31,39);4,6,8-11,15,18,22,24,26H,2-3,5,7,12-14,16-17,19,30H2,1H3,(H,32,38);2,4,8,14-16,19H,3,5-7,9-12,28H2,1H3,(H,29,36) |
| InChIKey | ZQUVGGLRWAOCFT-UHFFFAOYSA-N |
| XLogP | 7.36 |
| TPSA | 507.94 Ų |
| H-Bond Donors | 8 |
| H-Bond Acceptors | 30 |
| Rotatable Bonds | 37 |
| Heavy Atoms | 162 |
| Complexity | — |
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2234.68 |
| LogP ≤ 5 | 7.36 |
| H-Bond Donors ≤ 5 | 8 |
| H-Bond Acceptors ≤ 10 | 30 |