C135H163N27O6 — CID 157135622
2-[(2S)-2-[5-[(3S)-3-aminocyclopentyl]-6-methylpyrazolo[1,5-a]pyrimidin-2-yl]piperidine-1-carbonyl]benzonitrile;[(2S)-2-[5-[(3S)-3-aminocyclopentyl]-6-methylpyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]-(2-methoxy-5-methylphenyl)methanone;methane;[(2S)-2-[6-methyl-5-[(3S)-3-methylcyclopentyl]pyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]-(4-phenyl-2-pyridinyl)methanone;[(2S)-2-[6-methyl-5-[(3S)-3-methylcyclopentyl]pyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]-(5-propan-2-yl-1H-pyrazol-4-yl)methanone;[(2S)-2-[6-methyl-5-[(3S)-3-methylcyclopentyl]pyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]-quinolin-7-ylmethanone (PubChem CID 157135622) has the molecular formula C135H163N27O6 and a molecular weight of 2259.97 g/mol. Its IUPAC name is 2-[(2S)-2-[5-[(3S)-3-aminocyclopentyl]-6-methylpyrazolo[1,5-a]pyrimidin-2-yl]piperidine-1-carbonyl]benzonitrile;[(2S)-2-[5-[(3S)-3-aminocyclopentyl]-6-methylpyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]-(2-methoxy-5-methylphenyl)methanone;methane;[(2S)-2-[6-methyl-5-[(3S)-3-methylcyclopentyl]pyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]-(4-phenyl-2-pyridinyl)methanone;[(2S)-2-[6-methyl-5-[(3S)-3-methylcyclopentyl]pyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]-(5-propan-2-yl-1H-pyrazol-4-yl)methanone;[(2S)-2-[6-methyl-5-[(3S)-3-methylcyclopentyl]pyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]-quinolin-7-ylmethanone.
| Compound Name | 2-[(2S)-2-[5-[(3S)-3-aminocyclopentyl]-6-methylpyrazolo[1,5-a]pyrimidin-2-yl]piperidine-1-carbonyl]benzonitrile;[(2S)-2-[5-[(3S)-3-aminocyclopentyl]-6-methylpyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]-(2-methoxy-5-methylphenyl)methanone;methane;[(2S)-2-[6-methyl-5-[(3S)-3-methylcyclopentyl]pyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]-(4-phenyl-2-pyridinyl)methanone;[(2S)-2-[6-methyl-5-[(3S)-3-methylcyclopentyl]pyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]-(5-propan-2-yl-1H-pyrazol-4-yl)methanone;[(2S)-2-[6-methyl-5-[(3S)-3-methylcyclopentyl]pyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]-quinolin-7-ylmethanone |
|---|---|
| PubChem CID | 157135622 |
| Molecular Formula | C135H163N27O6 |
| Molecular Weight | 2259.97 g/mol |
| Exact Mass | 2258.33 |
| IUPAC Name | 2-[(2S)-2-[5-[(3S)-3-aminocyclopentyl]-6-methylpyrazolo[1,5-a]pyrimidin-2-yl]piperidine-1-carbonyl]benzonitrile;[(2S)-2-[5-[(3S)-3-aminocyclopentyl]-6-methylpyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]-(2-methoxy-5-methylphenyl)methanone;methane;[(2S)-2-[6-methyl-5-[(3S)-3-methylcyclopentyl]pyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]-(4-phenyl-2-pyridinyl)methanone;[(2S)-2-[6-methyl-5-[(3S)-3-methylcyclopentyl]pyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]-(5-propan-2-yl-1H-pyrazol-4-yl)methanone;[(2S)-2-[6-methyl-5-[(3S)-3-methylcyclopentyl]pyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]-quinolin-7-ylmethanone |
| SMILES | C.COc1ccc(C)cc1C(=O)N1CCCC[C@H]1c1cc2nc(C3CC[C@H](N)C3)c(C)cn2n1.Cc1cn2nc([C@@H]3CCCCN3C(=O)c3cc(-c4ccccc4)ccn3)cc2nc1C1CC[C@H](C)C1.Cc1cn2nc([C@@H]3CCCCN3C(=O)c3ccc4cccnc4c3)cc2nc1C1CC[C@H](C)C1.Cc1cn2nc([C@@H]3CCCCN3C(=O)c3ccccc3C#N)cc2nc1C1CC[C@H](N)C1.Cc1cn2nc([C@@H]3CCCCN3C(=O)c3cn[nH]c3C(C)C)cc2nc1C1CC[C@H](C)C1 |
| InChI | InChI=1S/C30H33N5O.C28H31N5O.C26H33N5O2.C25H34N6O.C25H28N6O.CH4/c1-20-11-12-24(16-20)29-21(2)19-35-28(32-29)18-25(33-35)27-10-6-7-15-34(27)30(36)26-17-23(13-14-31-26)22-8-4-3-5-9-22;1-18-8-9-21(14-18)27-19(2)17-33-26(30-27)16-24(31-33)25-7-3-4-13-32(25)28(34)22-11-10-20-6-5-12-29-23(20)15-22;1-16-7-10-23(33-3)20(12-16)26(32)30-11-5-4-6-22(30)21-14-24-28-25(17(2)15-31(24)29-21)18-8-9-19(27)13-18;1-15(2)23-19(13-26-28-23)25(32)30-10-6-5-7-21(30)20-12-22-27-24(17(4)14-31(22)29-20)18-9-8-16(3)11-18;1-16-15-31-23(28-24(16)17-9-10-19(27)12-17)13-21(29-31)22-8-4-5-11-30(22)25(32)20-7-3-2-6-18(20)14-26;/h3-5,8-9,13-14,17-20,24,27H,6-7,10-12,15-16H2,1-2H3;5-6,10-12,15-18,21,25H,3-4,7-9,13-14H2,1-2H3;7,10,12,14-15,18-19,22H,4-6,8-9,11,13,27H2,1-3H3;12-16,18,21H,5-11H2,1-4H3,(H,26,28);2-3,6-7,13,15,17,19,22H,4-5,8-12,27H2,1H3;1H4/t20-,24?,27-;18-,21?,25-;18?,19-,22-;16-,18?,21-;17?,19-,22-;/m00000./s1 |
| InChIKey | AJOVPPLXGYOIPY-GYFHAJDISA-N |
| XLogP | 26.21 |
| TPSA | 392.02 Ų |
| H-Bond Donors | 3 |
| H-Bond Acceptors | 27 |
| Rotatable Bonds | 18 |
| Heavy Atoms | 168 |
| Complexity | — |
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2259.97 |
| LogP ≤ 5 | 26.21 |
| H-Bond Donors ≤ 5 | 3 |
| H-Bond Acceptors ≤ 10 | 27 |