C189H198Cl3F9N36O13 — CID 158831727
N-[3,3-bis(4-fluorophenyl)propyl]-3-pyrazin-2-ylpyrrolidine-1-carboxamide;N-[(2-chloro-4-fluorophenyl)methyl]-3-pyrazin-2-ylpyrrolidine-1-carboxamide;N-[(2,4-dichlorophenyl)methyl]-3-pyridin-3-ylpyrrolidine-1-carboxamide;N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-3-pyridin-4-ylpyrrolidine-1-carboxamide;N-[2-(4-methoxyphenyl)ethyl]-3-pyridin-3-ylpyrrolidine-1-carboxamide;N-(naphthalen-1-ylmethyl)-3-pyrazin-2-ylpyrrolidine-1-carboxamide;N-[2-(4-phenylphenyl)ethyl]-3-pyrazin-2-ylpyrrolidine-1-carboxamide;3-pyridin-4-yl-N-(pyridin-2-ylmethyl)pyrrolidine-1-carboxamide;3-pyridin-4-yl-N-[[3-(trifluoromethoxy)phenyl]methyl]pyrrolidine-1-carboxamide;3-pyridin-4-yl-N-[[6-(trifluoromethyl)-3-pyridinyl]methyl]pyrrolidine-1-carboxamide (PubChem CID 158831727) has the molecular formula C189H198Cl3F9N36O13 and a molecular weight of 3459.24 g/mol. Its IUPAC name is N-[3,3-bis(4-fluorophenyl)propyl]-3-pyrazin-2-ylpyrrolidine-1-carboxamide;N-[(2-chloro-4-fluorophenyl)methyl]-3-pyrazin-2-ylpyrrolidine-1-carboxamide;N-[(2,4-dichlorophenyl)methyl]-3-pyridin-3-ylpyrrolidine-1-carboxamide;N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-3-pyridin-4-ylpyrrolidine-1-carboxamide;N-[2-(4-methoxyphenyl)ethyl]-3-pyridin-3-ylpyrrolidine-1-carboxamide;N-(naphthalen-1-ylmethyl)-3-pyrazin-2-ylpyrrolidine-1-carboxamide;N-[2-(4-phenylphenyl)ethyl]-3-pyrazin-2-ylpyrrolidine-1-carboxamide;3-pyridin-4-yl-N-(pyridin-2-ylmethyl)pyrrolidine-1-carboxamide;3-pyridin-4-yl-N-[[3-(trifluoromethoxy)phenyl]methyl]pyrrolidine-1-carboxamide;3-pyridin-4-yl-N-[[6-(trifluoromethyl)-3-pyridinyl]methyl]pyrrolidine-1-carboxamide.
| Compound Name | N-[3,3-bis(4-fluorophenyl)propyl]-3-pyrazin-2-ylpyrrolidine-1-carboxamide;N-[(2-chloro-4-fluorophenyl)methyl]-3-pyrazin-2-ylpyrrolidine-1-carboxamide;N-[(2,4-dichlorophenyl)methyl]-3-pyridin-3-ylpyrrolidine-1-carboxamide;N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-3-pyridin-4-ylpyrrolidine-1-carboxamide;N-[2-(4-methoxyphenyl)ethyl]-3-pyridin-3-ylpyrrolidine-1-carboxamide;N-(naphthalen-1-ylmethyl)-3-pyrazin-2-ylpyrrolidine-1-carboxamide;N-[2-(4-phenylphenyl)ethyl]-3-pyrazin-2-ylpyrrolidine-1-carboxamide;3-pyridin-4-yl-N-(pyridin-2-ylmethyl)pyrrolidine-1-carboxamide;3-pyridin-4-yl-N-[[3-(trifluoromethoxy)phenyl]methyl]pyrrolidine-1-carboxamide;3-pyridin-4-yl-N-[[6-(trifluoromethyl)-3-pyridinyl]methyl]pyrrolidine-1-carboxamide |
|---|---|
| PubChem CID | 158831727 |
| Molecular Formula | C189H198Cl3F9N36O13 |
| Molecular Weight | 3459.24 g/mol |
| Exact Mass | 3455.49 |
| IUPAC Name | N-[3,3-bis(4-fluorophenyl)propyl]-3-pyrazin-2-ylpyrrolidine-1-carboxamide;N-[(2-chloro-4-fluorophenyl)methyl]-3-pyrazin-2-ylpyrrolidine-1-carboxamide;N-[(2,4-dichlorophenyl)methyl]-3-pyridin-3-ylpyrrolidine-1-carboxamide;N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-3-pyridin-4-ylpyrrolidine-1-carboxamide;N-[2-(4-methoxyphenyl)ethyl]-3-pyridin-3-ylpyrrolidine-1-carboxamide;N-(naphthalen-1-ylmethyl)-3-pyrazin-2-ylpyrrolidine-1-carboxamide;N-[2-(4-phenylphenyl)ethyl]-3-pyrazin-2-ylpyrrolidine-1-carboxamide;3-pyridin-4-yl-N-(pyridin-2-ylmethyl)pyrrolidine-1-carboxamide;3-pyridin-4-yl-N-[[3-(trifluoromethoxy)phenyl]methyl]pyrrolidine-1-carboxamide;3-pyridin-4-yl-N-[[6-(trifluoromethyl)-3-pyridinyl]methyl]pyrrolidine-1-carboxamide |
| SMILES | COc1ccc(CCNC(=O)N2CCC(c3cccnc3)C2)cc1.O=C(NCCC(c1ccc(F)cc1)c1ccc(F)cc1)N1CCC(c2cnccn2)C1.O=C(NCCc1ccc(-c2ccccc2)cc1)N1CCC(c2cnccn2)C1.O=C(NCc1ccc(C(F)(F)F)nc1)N1CCC(c2ccncc2)C1.O=C(NCc1ccc(Cl)cc1Cl)N1CCC(c2cccnc2)C1.O=C(NCc1ccc(F)cc1Cl)N1CCC(c2cnccn2)C1.O=C(NCc1ccc2c(c1)CCO2)N1CCC(c2ccncc2)C1.O=C(NCc1cccc(OC(F)(F)F)c1)N1CCC(c2ccncc2)C1.O=C(NCc1cccc2ccccc12)N1CCC(c2cnccn2)C1.O=C(NCc1ccccn1)N1CCC(c2ccncc2)C1 |
| InChI | InChI=1S/C24H24F2N4O.C23H24N4O.C20H20N4O.C19H21N3O2.C19H23N3O2.C18H18F3N3O2.C17H17Cl2N3O.C17H17F3N4O.C16H16ClFN4O.C16H18N4O/c25-20-5-1-17(2-6-20)22(18-3-7-21(26)8-4-18)9-11-29-24(31)30-14-10-19(16-30)23-15-27-12-13-28-23;28-23(27-15-11-21(17-27)22-16-24-13-14-25-22)26-12-10-18-6-8-20(9-7-18)19-4-2-1-3-5-19;25-20(24-11-8-17(14-24)19-13-21-9-10-22-19)23-12-16-6-3-5-15-4-1-2-7-18(15)16;23-19(21-12-14-1-2-18-16(11-14)6-10-24-18)22-9-5-17(13-22)15-3-7-20-8-4-15;1-24-18-6-4-15(5-7-18)8-11-21-19(23)22-12-9-17(14-22)16-3-2-10-20-13-16;19-18(20,21)26-16-3-1-2-13(10-16)11-23-17(25)24-9-6-15(12-24)14-4-7-22-8-5-14;18-15-4-3-13(16(19)8-15)10-21-17(23)22-7-5-14(11-22)12-2-1-6-20-9-12;18-17(19,20)15-2-1-12(9-22-15)10-23-16(25)24-8-5-14(11-24)13-3-6-21-7-4-13;17-14-7-13(18)2-1-11(14)8-21-16(23)22-6-3-12(10-22)15-9-19-4-5-20-15;21-16(19-11-15-3-1-2-7-18-15)20-10-6-14(12-20)13-4-8-17-9-5-13/h1-8,12-13,15,19,22H,9-11,14,16H2,(H,29,31);1-9,13-14,16,21H,10-12,15,17H2,(H,26,28);1-7,9-10,13,17H,8,11-12,14H2,(H,23,25);1-4,7-8,11,17H,5-6,9-10,12-13H2,(H,21,23);2-7,10,13,17H,8-9,11-12,14H2,1H3,(H,21,23);1-5,7-8,10,15H,6,9,11-12H2,(H,23,25);1-4,6,8-9,14H,5,7,10-11H2,(H,21,23);1-4,6-7,9,14H,5,8,10-11H2,(H,23,25);1-2,4-5,7,9,12H,3,6,8,10H2,(H,21,23);1-5,7-9,14H,6,10-12H2,(H,19,21) |
| InChIKey | IXCXGJZSPHXZHX-UHFFFAOYSA-N |
| XLogP | 33.34 |
| TPSA | 557.33 Ų |
| H-Bond Donors | 10 |
| H-Bond Acceptors | 29 |
| Rotatable Bonds | 38 |
| Heavy Atoms | 250 |
| Complexity | — |
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 3459.24 |
| LogP ≤ 5 | 33.34 |
| H-Bond Donors ≤ 5 | 10 |
| H-Bond Acceptors ≤ 10 | 29 |