C98H127ClF2N24O13 — CID 159501194
(2S)-N-[2-(7-chloro-2H-indazol-3-yl)propan-2-yl]morpholine-2-carboxamide;(2S)-N-[2-(1-cyclopropyl-8-fluoroimidazo[1,5-a]pyridin-3-yl)propan-2-yl]morpholine-2-carboxamide;(2S)-N-[2-(8-fluoro-1-methylimidazo[1,5-a]pyridin-3-yl)propan-2-yl]morpholine-2-carboxamide;(2S)-N-[2-(8-methoxyimidazo[1,5-a]pyridin-3-yl)propan-2-yl]morpholine-2-carboxamide;(2S)-N-[1-(8-methylimidazo[1,5-a]pyridin-3-yl)cyclobutyl]morpholine-2-carboxamide;(2S)-N-[1-(8-methylimidazo[1,5-a]pyridin-3-yl)cyclopropyl]morpholine-2-carboxamide (PubChem CID 159501194) has the molecular formula C98H127ClF2N24O13 and a molecular weight of 1922.70 g/mol. Its IUPAC name is (2S)-N-[2-(7-chloro-2H-indazol-3-yl)propan-2-yl]morpholine-2-carboxamide;(2S)-N-[2-(1-cyclopropyl-8-fluoroimidazo[1,5-a]pyridin-3-yl)propan-2-yl]morpholine-2-carboxamide;(2S)-N-[2-(8-fluoro-1-methylimidazo[1,5-a]pyridin-3-yl)propan-2-yl]morpholine-2-carboxamide;(2S)-N-[2-(8-methoxyimidazo[1,5-a]pyridin-3-yl)propan-2-yl]morpholine-2-carboxamide;(2S)-N-[1-(8-methylimidazo[1,5-a]pyridin-3-yl)cyclobutyl]morpholine-2-carboxamide;(2S)-N-[1-(8-methylimidazo[1,5-a]pyridin-3-yl)cyclopropyl]morpholine-2-carboxamide.
| Compound Name | (2S)-N-[2-(7-chloro-2H-indazol-3-yl)propan-2-yl]morpholine-2-carboxamide;(2S)-N-[2-(1-cyclopropyl-8-fluoroimidazo[1,5-a]pyridin-3-yl)propan-2-yl]morpholine-2-carboxamide;(2S)-N-[2-(8-fluoro-1-methylimidazo[1,5-a]pyridin-3-yl)propan-2-yl]morpholine-2-carboxamide;(2S)-N-[2-(8-methoxyimidazo[1,5-a]pyridin-3-yl)propan-2-yl]morpholine-2-carboxamide;(2S)-N-[1-(8-methylimidazo[1,5-a]pyridin-3-yl)cyclobutyl]morpholine-2-carboxamide;(2S)-N-[1-(8-methylimidazo[1,5-a]pyridin-3-yl)cyclopropyl]morpholine-2-carboxamide |
|---|---|
| PubChem CID | 159501194 |
| Molecular Formula | C98H127ClF2N24O13 |
| Molecular Weight | 1922.70 g/mol |
| Exact Mass | 1920.97 |
| IUPAC Name | (2S)-N-[2-(7-chloro-2H-indazol-3-yl)propan-2-yl]morpholine-2-carboxamide;(2S)-N-[2-(1-cyclopropyl-8-fluoroimidazo[1,5-a]pyridin-3-yl)propan-2-yl]morpholine-2-carboxamide;(2S)-N-[2-(8-fluoro-1-methylimidazo[1,5-a]pyridin-3-yl)propan-2-yl]morpholine-2-carboxamide;(2S)-N-[2-(8-methoxyimidazo[1,5-a]pyridin-3-yl)propan-2-yl]morpholine-2-carboxamide;(2S)-N-[1-(8-methylimidazo[1,5-a]pyridin-3-yl)cyclobutyl]morpholine-2-carboxamide;(2S)-N-[1-(8-methylimidazo[1,5-a]pyridin-3-yl)cyclopropyl]morpholine-2-carboxamide |
| SMILES | CC(C)(NC(=O)[C@@H]1CNCCO1)c1[nH]nc2c(Cl)cccc12.CC(C)(NC(=O)[C@@H]1CNCCO1)c1nc(C2CC2)c2c(F)cccn12.COc1cccn2c(C(C)(C)NC(=O)[C@@H]3CNCCO3)ncc12.Cc1cccn2c(C3(NC(=O)[C@@H]4CNCCO4)CC3)ncc12.Cc1cccn2c(C3(NC(=O)[C@@H]4CNCCO4)CCC3)ncc12.Cc1nc(C(C)(C)NC(=O)[C@@H]2CNCCO2)n2cccc(F)c12 |
| InChI | InChI=1S/C18H23FN4O2.C17H22N4O2.C16H21FN4O2.C16H22N4O3.C16H20N4O2.C15H19ClN4O2/c1-18(2,22-16(24)13-10-20-7-9-25-13)17-21-14(11-5-6-11)15-12(19)4-3-8-23(15)17;1-12-4-2-8-21-13(12)10-19-16(21)17(5-3-6-17)20-15(22)14-11-18-7-9-23-14;1-10-13-11(17)5-4-7-21(13)15(19-10)16(2,3)20-14(22)12-9-18-6-8-23-12;1-16(2,19-14(21)13-10-17-6-8-23-13)15-18-9-11-12(22-3)5-4-7-20(11)15;1-11-3-2-7-20-12(11)9-18-15(20)16(4-5-16)19-14(21)13-10-17-6-8-22-13;1-15(2,18-14(21)11-8-17-6-7-22-11)13-9-4-3-5-10(16)12(9)19-20-13/h3-4,8,11,13,20H,5-7,9-10H2,1-2H3,(H,22,24);2,4,8,10,14,18H,3,5-7,9,11H2,1H3,(H,20,22);4-5,7,12,18H,6,8-9H2,1-3H3,(H,20,22);4-5,7,9,13,17H,6,8,10H2,1-3H3,(H,19,21);2-3,7,9,13,17H,4-6,8,10H2,1H3,(H,19,21);3-5,11,17H,6-8H2,1-2H3,(H,18,21)(H,19,20)/t13-;14-;12-;2*13-;11-/m000000/s1 |
| InChIKey | LZKBHAIQKKQZLS-LWJMKUGZSA-N |
| XLogP | 6.91 |
| TPSA | 426.57 Ų |
| H-Bond Donors | 13 |
| H-Bond Acceptors | 30 |
| Rotatable Bonds | 20 |
| Heavy Atoms | 138 |
| Complexity | — |
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 1922.70 |
| LogP ≤ 5 | 6.91 |
| H-Bond Donors ≤ 5 | 13 |
| H-Bond Acceptors ≤ 10 | 30 |