C123H135F2N21O13 — CID 160924471
N-[(1S)-1-[3-(cyclopentylcarbamoyl)phenyl]-2-hydroxyethyl]-2-fluoro-4-(1H-pyrazol-4-yl)benzamide;N-[(1S)-1-[3-(cyclopentylcarbamoyl)phenyl]-2-hydroxyethyl]-3-fluoro-4-(1H-pyrazol-4-yl)benzamide;N-[(1S)-1-[3-(cyclopentylcarbamoyl)phenyl]-2-hydroxyethyl]-2-methyl-4-(1H-pyrazol-4-yl)benzamide;N-cyclopentyl-3-[(1R)-1-[[4-(1H-pyrazol-4-yl)benzoyl]amino]ethyl]benzamide;2-methyl-N-[(1R)-1-[3-[(1-methylpiperidin-4-yl)carbamoyl]phenyl]ethyl]-4-(1H-pyrazol-4-yl)benzamide (PubChem CID 160924471) has the molecular formula C123H135F2N21O13 and a molecular weight of 2153.56 g/mol. Its IUPAC name is N-[(1S)-1-[3-(cyclopentylcarbamoyl)phenyl]-2-hydroxyethyl]-2-fluoro-4-(1H-pyrazol-4-yl)benzamide;N-[(1S)-1-[3-(cyclopentylcarbamoyl)phenyl]-2-hydroxyethyl]-3-fluoro-4-(1H-pyrazol-4-yl)benzamide;N-[(1S)-1-[3-(cyclopentylcarbamoyl)phenyl]-2-hydroxyethyl]-2-methyl-4-(1H-pyrazol-4-yl)benzamide;N-cyclopentyl-3-[(1R)-1-[[4-(1H-pyrazol-4-yl)benzoyl]amino]ethyl]benzamide;2-methyl-N-[(1R)-1-[3-[(1-methylpiperidin-4-yl)carbamoyl]phenyl]ethyl]-4-(1H-pyrazol-4-yl)benzamide.
| Compound Name | N-[(1S)-1-[3-(cyclopentylcarbamoyl)phenyl]-2-hydroxyethyl]-2-fluoro-4-(1H-pyrazol-4-yl)benzamide;N-[(1S)-1-[3-(cyclopentylcarbamoyl)phenyl]-2-hydroxyethyl]-3-fluoro-4-(1H-pyrazol-4-yl)benzamide;N-[(1S)-1-[3-(cyclopentylcarbamoyl)phenyl]-2-hydroxyethyl]-2-methyl-4-(1H-pyrazol-4-yl)benzamide;N-cyclopentyl-3-[(1R)-1-[[4-(1H-pyrazol-4-yl)benzoyl]amino]ethyl]benzamide;2-methyl-N-[(1R)-1-[3-[(1-methylpiperidin-4-yl)carbamoyl]phenyl]ethyl]-4-(1H-pyrazol-4-yl)benzamide |
|---|---|
| PubChem CID | 160924471 |
| Molecular Formula | C123H135F2N21O13 |
| Molecular Weight | 2153.56 g/mol |
| Exact Mass | 2152.05 |
| IUPAC Name | N-[(1S)-1-[3-(cyclopentylcarbamoyl)phenyl]-2-hydroxyethyl]-2-fluoro-4-(1H-pyrazol-4-yl)benzamide;N-[(1S)-1-[3-(cyclopentylcarbamoyl)phenyl]-2-hydroxyethyl]-3-fluoro-4-(1H-pyrazol-4-yl)benzamide;N-[(1S)-1-[3-(cyclopentylcarbamoyl)phenyl]-2-hydroxyethyl]-2-methyl-4-(1H-pyrazol-4-yl)benzamide;N-cyclopentyl-3-[(1R)-1-[[4-(1H-pyrazol-4-yl)benzoyl]amino]ethyl]benzamide;2-methyl-N-[(1R)-1-[3-[(1-methylpiperidin-4-yl)carbamoyl]phenyl]ethyl]-4-(1H-pyrazol-4-yl)benzamide |
| SMILES | C[C@@H](NC(=O)c1ccc(-c2cn[nH]c2)cc1)c1cccc(C(=O)NC2CCCC2)c1.Cc1cc(-c2cn[nH]c2)ccc1C(=O)N[C@H](C)c1cccc(C(=O)NC2CCN(C)CC2)c1.Cc1cc(-c2cn[nH]c2)ccc1C(=O)N[C@H](CO)c1cccc(C(=O)NC2CCCC2)c1.O=C(NC1CCCC1)c1cccc([C@@H](CO)NC(=O)c2ccc(-c3cn[nH]c3)c(F)c2)c1.O=C(NC1CCCC1)c1cccc([C@@H](CO)NC(=O)c2ccc(-c3cn[nH]c3)cc2F)c1 |
| InChI | InChI=1S/C26H31N5O2.C25H28N4O3.2C24H25FN4O3.C24H26N4O2/c1-17-13-20(22-15-27-28-16-22)7-8-24(17)26(33)29-18(2)19-5-4-6-21(14-19)25(32)30-23-9-11-31(3)12-10-23;1-16-11-17(20-13-26-27-14-20)9-10-22(16)25(32)29-23(15-30)18-5-4-6-19(12-18)24(31)28-21-7-2-3-8-21;25-21-11-15(18-12-26-27-13-18)8-9-20(21)24(32)29-22(14-30)16-4-3-5-17(10-16)23(31)28-19-6-1-2-7-19;25-21-11-17(8-9-20(21)18-12-26-27-13-18)24(32)29-22(14-30)15-4-3-5-16(10-15)23(31)28-19-6-1-2-7-19;1-16(19-5-4-6-20(13-19)24(30)28-22-7-2-3-8-22)27-23(29)18-11-9-17(10-12-18)21-14-25-26-15-21/h4-8,13-16,18,23H,9-12H2,1-3H3,(H,27,28)(H,29,33)(H,30,32);4-6,9-14,21,23,30H,2-3,7-8,15H2,1H3,(H,26,27)(H,28,31)(H,29,32);2*3-5,8-13,19,22,30H,1-2,6-7,14H2,(H,26,27)(H,28,31)(H,29,32);4-6,9-16,22H,2-3,7-8H2,1H3,(H,25,26)(H,27,29)(H,28,30)/t18-;23-;2*22-;16-/m11111/s1 |
| InChIKey | SSLQXHXMLHYLEW-VPCFPUHQSA-N |
| XLogP | 18.16 |
| TPSA | 498.33 Ų |
| H-Bond Donors | 18 |
| H-Bond Acceptors | 19 |
| Rotatable Bonds | 33 |
| Heavy Atoms | 159 |
| Complexity | — |
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2153.56 |
| LogP ≤ 5 | 18.16 |
| H-Bond Donors ≤ 5 | 18 |
| H-Bond Acceptors ≤ 10 | 19 |