C141H159Cl5N30O6 — CID 159137109
2-[(4-aminocyclohexyl)methylamino]-6-[2-chloro-4-(6-methyl-2-pyridinyl)phenyl]-8-ethylpyrido[2,3-d]pyrimidin-7-one;2-[3-(2-aminoethoxy)propylamino]-6-[2-chloro-4-(6-methyl-2-pyridinyl)phenyl]-8-ethylpyrido[2,3-d]pyrimidin-7-one;2-[[4-(2-aminoethyl)cyclohexyl]amino]-6-[2-chloro-4-(6-methyl-2-pyridinyl)phenyl]-8-ethylpyrido[2,3-d]pyrimidin-7-one;6-[2-chloro-4-(6-methyl-2-pyridinyl)phenyl]-2-[[4-(dimethylamino)cyclohexyl]methylamino]-8-ethylpyrido[2,3-d]pyrimidin-7-one;6-[2-chloro-4-(6-methyl-2-pyridinyl)phenyl]-8-ethyl-2-(2-piperidin-4-ylethylamino)pyrido[2,3-d]pyrimidin-7-one (PubChem CID 159137109) has the molecular formula C141H159Cl5N30O6 and a molecular weight of 2547.29 g/mol. Its IUPAC name is 2-[(4-aminocyclohexyl)methylamino]-6-[2-chloro-4-(6-methyl-2-pyridinyl)phenyl]-8-ethylpyrido[2,3-d]pyrimidin-7-one;2-[3-(2-aminoethoxy)propylamino]-6-[2-chloro-4-(6-methyl-2-pyridinyl)phenyl]-8-ethylpyrido[2,3-d]pyrimidin-7-one;2-[[4-(2-aminoethyl)cyclohexyl]amino]-6-[2-chloro-4-(6-methyl-2-pyridinyl)phenyl]-8-ethylpyrido[2,3-d]pyrimidin-7-one;6-[2-chloro-4-(6-methyl-2-pyridinyl)phenyl]-2-[[4-(dimethylamino)cyclohexyl]methylamino]-8-ethylpyrido[2,3-d]pyrimidin-7-one;6-[2-chloro-4-(6-methyl-2-pyridinyl)phenyl]-8-ethyl-2-(2-piperidin-4-ylethylamino)pyrido[2,3-d]pyrimidin-7-one.
| Compound Name | 2-[(4-aminocyclohexyl)methylamino]-6-[2-chloro-4-(6-methyl-2-pyridinyl)phenyl]-8-ethylpyrido[2,3-d]pyrimidin-7-one;2-[3-(2-aminoethoxy)propylamino]-6-[2-chloro-4-(6-methyl-2-pyridinyl)phenyl]-8-ethylpyrido[2,3-d]pyrimidin-7-one;2-[[4-(2-aminoethyl)cyclohexyl]amino]-6-[2-chloro-4-(6-methyl-2-pyridinyl)phenyl]-8-ethylpyrido[2,3-d]pyrimidin-7-one;6-[2-chloro-4-(6-methyl-2-pyridinyl)phenyl]-2-[[4-(dimethylamino)cyclohexyl]methylamino]-8-ethylpyrido[2,3-d]pyrimidin-7-one;6-[2-chloro-4-(6-methyl-2-pyridinyl)phenyl]-8-ethyl-2-(2-piperidin-4-ylethylamino)pyrido[2,3-d]pyrimidin-7-one |
|---|---|
| PubChem CID | 159137109 |
| Molecular Formula | C141H159Cl5N30O6 |
| Molecular Weight | 2547.29 g/mol |
| Exact Mass | 2543.15 |
| IUPAC Name | 2-[(4-aminocyclohexyl)methylamino]-6-[2-chloro-4-(6-methyl-2-pyridinyl)phenyl]-8-ethylpyrido[2,3-d]pyrimidin-7-one;2-[3-(2-aminoethoxy)propylamino]-6-[2-chloro-4-(6-methyl-2-pyridinyl)phenyl]-8-ethylpyrido[2,3-d]pyrimidin-7-one;2-[[4-(2-aminoethyl)cyclohexyl]amino]-6-[2-chloro-4-(6-methyl-2-pyridinyl)phenyl]-8-ethylpyrido[2,3-d]pyrimidin-7-one;6-[2-chloro-4-(6-methyl-2-pyridinyl)phenyl]-2-[[4-(dimethylamino)cyclohexyl]methylamino]-8-ethylpyrido[2,3-d]pyrimidin-7-one;6-[2-chloro-4-(6-methyl-2-pyridinyl)phenyl]-8-ethyl-2-(2-piperidin-4-ylethylamino)pyrido[2,3-d]pyrimidin-7-one |
| SMILES | CCn1c(=O)c(-c2ccc(-c3cccc(C)n3)cc2Cl)cc2cnc(NC3CCC(CCN)CC3)nc21.CCn1c(=O)c(-c2ccc(-c3cccc(C)n3)cc2Cl)cc2cnc(NCC3CCC(N(C)C)CC3)nc21.CCn1c(=O)c(-c2ccc(-c3cccc(C)n3)cc2Cl)cc2cnc(NCC3CCC(N)CC3)nc21.CCn1c(=O)c(-c2ccc(-c3cccc(C)n3)cc2Cl)cc2cnc(NCCC3CCNCC3)nc21.CCn1c(=O)c(-c2ccc(-c3cccc(C)n3)cc2Cl)cc2cnc(NCCCOCCN)nc21 |
| InChI | InChI=1S/C30H35ClN6O.C29H33ClN6O.2C28H31ClN6O.C26H29ClN6O2/c1-5-37-28-22(18-33-30(35-28)32-17-20-9-12-23(13-10-20)36(3)4)15-25(29(37)38)24-14-11-21(16-26(24)31)27-8-6-7-19(2)34-27;1-3-36-27-21(17-32-29(35-27)34-22-10-7-19(8-11-22)13-14-31)15-24(28(36)37)23-12-9-20(16-25(23)30)26-6-4-5-18(2)33-26;1-3-35-26-20(16-32-28(34-26)31-15-18-7-10-21(30)11-8-18)13-23(27(35)36)22-12-9-19(14-24(22)29)25-6-4-5-17(2)33-25;1-3-35-26-21(17-32-28(34-26)31-14-11-19-9-12-30-13-10-19)15-23(27(35)36)22-8-7-20(16-24(22)29)25-6-4-5-18(2)33-25;1-3-33-24-19(16-30-26(32-24)29-11-5-12-35-13-10-28)14-21(25(33)34)20-9-8-18(15-22(20)27)23-7-4-6-17(2)31-23/h6-8,11,14-16,18,20,23H,5,9-10,12-13,17H2,1-4H3,(H,32,33,35);4-6,9,12,15-17,19,22H,3,7-8,10-11,13-14,31H2,1-2H3,(H,32,34,35);4-6,9,12-14,16,18,21H,3,7-8,10-11,15,30H2,1-2H3,(H,31,32,34);4-8,15-17,19,30H,3,9-14H2,1-2H3,(H,31,32,34);4,6-9,14-16H,3,5,10-13,28H2,1-2H3,(H,29,30,32) |
| InChIKey | KHQAISLDJYJAFG-UHFFFAOYSA-N |
| XLogP | 26.87 |
| TPSA | 466.06 Ų |
| H-Bond Donors | 9 |
| H-Bond Acceptors | 36 |
| Rotatable Bonds | 37 |
| Heavy Atoms | 182 |
| Complexity | — |
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2547.29 |
| LogP ≤ 5 | 26.87 |
| H-Bond Donors ≤ 5 | 9 |
| H-Bond Acceptors ≤ 10 | 36 |
| Structural Alerts | {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'} |
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