C122H115Cl5N26O11 — CID 159033242
6-[2-chloro-4-(5-methylpyrazin-2-yl)phenyl]-8-ethyl-2-[[(3R)-oxolan-3-yl]amino]pyrido[2,3-d]pyrimidin-7-one;6-[2-chloro-4-(3-methyl-2-pyridinyl)phenyl]-8-ethyl-2-[[(3R)-oxolan-3-yl]amino]pyrido[2,3-d]pyrimidin-7-one;6-(2-chloro-4-pyridin-2-ylphenyl)-8-ethyl-2-[[(3R)-oxolan-3-yl]amino]pyrido[2,3-d]pyrimidin-7-one;6-(2-chloro-4-pyridin-3-ylphenyl)-8-ethyl-2-[[(3R)-oxolan-3-yl]amino]pyrido[2,3-d]pyrimidin-7-one;6-(2-chloro-4-pyridin-2-ylphenyl)-8-(2-methoxyethyl)-2-(oxolan-3-ylamino)pyrido[2,3-d]pyrimidin-7-one (PubChem CID 159033242) has the molecular formula C122H115Cl5N26O11 and a molecular weight of 2298.70 g/mol. Its IUPAC name is 6-[2-chloro-4-(5-methylpyrazin-2-yl)phenyl]-8-ethyl-2-[[(3R)-oxolan-3-yl]amino]pyrido[2,3-d]pyrimidin-7-one;6-[2-chloro-4-(3-methyl-2-pyridinyl)phenyl]-8-ethyl-2-[[(3R)-oxolan-3-yl]amino]pyrido[2,3-d]pyrimidin-7-one;6-(2-chloro-4-pyridin-2-ylphenyl)-8-ethyl-2-[[(3R)-oxolan-3-yl]amino]pyrido[2,3-d]pyrimidin-7-one;6-(2-chloro-4-pyridin-3-ylphenyl)-8-ethyl-2-[[(3R)-oxolan-3-yl]amino]pyrido[2,3-d]pyrimidin-7-one;6-(2-chloro-4-pyridin-2-ylphenyl)-8-(2-methoxyethyl)-2-(oxolan-3-ylamino)pyrido[2,3-d]pyrimidin-7-one.
| Compound Name | 6-[2-chloro-4-(5-methylpyrazin-2-yl)phenyl]-8-ethyl-2-[[(3R)-oxolan-3-yl]amino]pyrido[2,3-d]pyrimidin-7-one;6-[2-chloro-4-(3-methyl-2-pyridinyl)phenyl]-8-ethyl-2-[[(3R)-oxolan-3-yl]amino]pyrido[2,3-d]pyrimidin-7-one;6-(2-chloro-4-pyridin-2-ylphenyl)-8-ethyl-2-[[(3R)-oxolan-3-yl]amino]pyrido[2,3-d]pyrimidin-7-one;6-(2-chloro-4-pyridin-3-ylphenyl)-8-ethyl-2-[[(3R)-oxolan-3-yl]amino]pyrido[2,3-d]pyrimidin-7-one;6-(2-chloro-4-pyridin-2-ylphenyl)-8-(2-methoxyethyl)-2-(oxolan-3-ylamino)pyrido[2,3-d]pyrimidin-7-one |
|---|---|
| PubChem CID | 159033242 |
| Molecular Formula | C122H115Cl5N26O11 |
| Molecular Weight | 2298.70 g/mol |
| Exact Mass | 2294.77 |
| IUPAC Name | 6-[2-chloro-4-(5-methylpyrazin-2-yl)phenyl]-8-ethyl-2-[[(3R)-oxolan-3-yl]amino]pyrido[2,3-d]pyrimidin-7-one;6-[2-chloro-4-(3-methyl-2-pyridinyl)phenyl]-8-ethyl-2-[[(3R)-oxolan-3-yl]amino]pyrido[2,3-d]pyrimidin-7-one;6-(2-chloro-4-pyridin-2-ylphenyl)-8-ethyl-2-[[(3R)-oxolan-3-yl]amino]pyrido[2,3-d]pyrimidin-7-one;6-(2-chloro-4-pyridin-3-ylphenyl)-8-ethyl-2-[[(3R)-oxolan-3-yl]amino]pyrido[2,3-d]pyrimidin-7-one;6-(2-chloro-4-pyridin-2-ylphenyl)-8-(2-methoxyethyl)-2-(oxolan-3-ylamino)pyrido[2,3-d]pyrimidin-7-one |
| SMILES | CCn1c(=O)c(-c2ccc(-c3ccccn3)cc2Cl)cc2cnc(N[C@@H]3CCOC3)nc21.CCn1c(=O)c(-c2ccc(-c3cccnc3)cc2Cl)cc2cnc(N[C@@H]3CCOC3)nc21.CCn1c(=O)c(-c2ccc(-c3cnc(C)cn3)cc2Cl)cc2cnc(N[C@@H]3CCOC3)nc21.CCn1c(=O)c(-c2ccc(-c3ncccc3C)cc2Cl)cc2cnc(N[C@@H]3CCOC3)nc21.COCCn1c(=O)c(-c2ccc(-c3ccccn3)cc2Cl)cc2cnc(NC3CCOC3)nc21 |
| InChI | InChI=1S/C25H24ClN5O3.C25H24ClN5O2.C24H23ClN6O2.2C24H22ClN5O2/c1-33-11-9-31-23-17(14-28-25(30-23)29-18-7-10-34-15-18)12-20(24(31)32)19-6-5-16(13-21(19)26)22-4-2-3-8-27-22;1-3-31-23-17(13-28-25(30-23)29-18-8-10-33-14-18)11-20(24(31)32)19-7-6-16(12-21(19)26)22-15(2)5-4-9-27-22;1-3-31-22-16(11-28-24(30-22)29-17-6-7-33-13-17)8-19(23(31)32)18-5-4-15(9-20(18)25)21-12-26-14(2)10-27-21;1-2-30-22-17(13-27-24(29-22)28-18-7-9-32-14-18)10-20(23(30)31)19-6-5-15(11-21(19)25)16-4-3-8-26-12-16;1-2-30-22-16(13-27-24(29-22)28-17-8-10-32-14-17)11-19(23(30)31)18-7-6-15(12-20(18)25)21-5-3-4-9-26-21/h2-6,8,12-14,18H,7,9-11,15H2,1H3,(H,28,29,30);4-7,9,11-13,18H,3,8,10,14H2,1-2H3,(H,28,29,30);4-5,8-12,17H,3,6-7,13H2,1-2H3,(H,28,29,30);3-6,8,10-13,18H,2,7,9,14H2,1H3,(H,27,28,29);3-7,9,11-13,17H,2,8,10,14H2,1H3,(H,27,28,29)/t;18-;17-;18-;17-/m.1111/s1 |
| InChIKey | JVDJVVGZJPXYDE-DOXGCDDVSA-N |
| XLogP | 21.61 |
| TPSA | 431.77 Ų |
| H-Bond Donors | 5 |
| H-Bond Acceptors | 37 |
| Rotatable Bonds | 27 |
| Heavy Atoms | 164 |
| Complexity | — |
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2298.70 |
| LogP ≤ 5 | 21.61 |
| H-Bond Donors ≤ 5 | 5 |
| H-Bond Acceptors ≤ 10 | 37 |