C209H220F2N56O33 — CID 159668837
[4-[6-(ethylcarbamoylamino)pyrido[2,3-b]pyrazin-3-yl]-2-methoxyphenyl] 2-methoxyethyl carbonate;[4-[6-(ethylcarbamoylamino)pyrido[2,3-b]pyrazin-3-yl]-2-methoxyphenyl] 2-phenylmethoxyethyl carbonate;N-[6-(ethylcarbamoylamino)pyrido[2,3-b]pyrazin-3-yl]-4-methylbenzamide;N-[4-[6-(ethylcarbamoylamino)pyrido[2,3-b]pyrazin-3-yl]phenyl]-2-(2-methoxyethoxy)acetamide;[4-[6-(ethylcarbamoylamino)pyrido[2,3-b]pyrazin-3-yl]phenyl] 2-phenylmethoxyethyl carbonate;1-ethyl-3-[3-[6-(ethylcarbamoylamino)-3-pyridinyl]pyrido[2,3-b]pyrazin-6-yl]urea;1-ethyl-3-[3-[(E)-2-(4-fluorophenyl)ethenyl]pyrido[2,3-b]pyrazin-6-yl]urea;1-ethyl-3-[3-[2-(4-fluorophenyl)ethyl]pyrido[2,3-b]pyrazin-6-yl]urea;1-ethyl-3-[3-[4-[2-(2-methoxyethoxy)ethoxy]phenyl]pyrido[2,3-b]pyrazin-6-yl]urea;1-ethyl-3-[3-[4-(morpholin-4-ylmethyl)phenyl]pyrido[2,3-b]pyrazin-6-yl]urea (PubChem CID 159668837) has the molecular formula C209H220F2N56O33 and a molecular weight of 4082.41 g/mol. Its IUPAC name is [4-[6-(ethylcarbamoylamino)pyrido[2,3-b]pyrazin-3-yl]-2-methoxyphenyl] 2-methoxyethyl carbonate;[4-[6-(ethylcarbamoylamino)pyrido[2,3-b]pyrazin-3-yl]-2-methoxyphenyl] 2-phenylmethoxyethyl carbonate;N-[6-(ethylcarbamoylamino)pyrido[2,3-b]pyrazin-3-yl]-4-methylbenzamide;N-[4-[6-(ethylcarbamoylamino)pyrido[2,3-b]pyrazin-3-yl]phenyl]-2-(2-methoxyethoxy)acetamide;[4-[6-(ethylcarbamoylamino)pyrido[2,3-b]pyrazin-3-yl]phenyl] 2-phenylmethoxyethyl carbonate;1-ethyl-3-[3-[6-(ethylcarbamoylamino)-3-pyridinyl]pyrido[2,3-b]pyrazin-6-yl]urea;1-ethyl-3-[3-[(E)-2-(4-fluorophenyl)ethenyl]pyrido[2,3-b]pyrazin-6-yl]urea;1-ethyl-3-[3-[2-(4-fluorophenyl)ethyl]pyrido[2,3-b]pyrazin-6-yl]urea;1-ethyl-3-[3-[4-[2-(2-methoxyethoxy)ethoxy]phenyl]pyrido[2,3-b]pyrazin-6-yl]urea;1-ethyl-3-[3-[4-(morpholin-4-ylmethyl)phenyl]pyrido[2,3-b]pyrazin-6-yl]urea.
| Compound Name | [4-[6-(ethylcarbamoylamino)pyrido[2,3-b]pyrazin-3-yl]-2-methoxyphenyl] 2-methoxyethyl carbonate;[4-[6-(ethylcarbamoylamino)pyrido[2,3-b]pyrazin-3-yl]-2-methoxyphenyl] 2-phenylmethoxyethyl carbonate;N-[6-(ethylcarbamoylamino)pyrido[2,3-b]pyrazin-3-yl]-4-methylbenzamide;N-[4-[6-(ethylcarbamoylamino)pyrido[2,3-b]pyrazin-3-yl]phenyl]-2-(2-methoxyethoxy)acetamide;[4-[6-(ethylcarbamoylamino)pyrido[2,3-b]pyrazin-3-yl]phenyl] 2-phenylmethoxyethyl carbonate;1-ethyl-3-[3-[6-(ethylcarbamoylamino)-3-pyridinyl]pyrido[2,3-b]pyrazin-6-yl]urea;1-ethyl-3-[3-[(E)-2-(4-fluorophenyl)ethenyl]pyrido[2,3-b]pyrazin-6-yl]urea;1-ethyl-3-[3-[2-(4-fluorophenyl)ethyl]pyrido[2,3-b]pyrazin-6-yl]urea;1-ethyl-3-[3-[4-[2-(2-methoxyethoxy)ethoxy]phenyl]pyrido[2,3-b]pyrazin-6-yl]urea;1-ethyl-3-[3-[4-(morpholin-4-ylmethyl)phenyl]pyrido[2,3-b]pyrazin-6-yl]urea |
|---|---|
| PubChem CID | 159668837 |
| Molecular Formula | C209H220F2N56O33 |
| Molecular Weight | 4082.41 g/mol |
| Exact Mass | 4079.72 |
| IUPAC Name | [4-[6-(ethylcarbamoylamino)pyrido[2,3-b]pyrazin-3-yl]-2-methoxyphenyl] 2-methoxyethyl carbonate;[4-[6-(ethylcarbamoylamino)pyrido[2,3-b]pyrazin-3-yl]-2-methoxyphenyl] 2-phenylmethoxyethyl carbonate;N-[6-(ethylcarbamoylamino)pyrido[2,3-b]pyrazin-3-yl]-4-methylbenzamide;N-[4-[6-(ethylcarbamoylamino)pyrido[2,3-b]pyrazin-3-yl]phenyl]-2-(2-methoxyethoxy)acetamide;[4-[6-(ethylcarbamoylamino)pyrido[2,3-b]pyrazin-3-yl]phenyl] 2-phenylmethoxyethyl carbonate;1-ethyl-3-[3-[6-(ethylcarbamoylamino)-3-pyridinyl]pyrido[2,3-b]pyrazin-6-yl]urea;1-ethyl-3-[3-[(E)-2-(4-fluorophenyl)ethenyl]pyrido[2,3-b]pyrazin-6-yl]urea;1-ethyl-3-[3-[2-(4-fluorophenyl)ethyl]pyrido[2,3-b]pyrazin-6-yl]urea;1-ethyl-3-[3-[4-[2-(2-methoxyethoxy)ethoxy]phenyl]pyrido[2,3-b]pyrazin-6-yl]urea;1-ethyl-3-[3-[4-(morpholin-4-ylmethyl)phenyl]pyrido[2,3-b]pyrazin-6-yl]urea |
| SMILES | CCNC(=O)Nc1ccc(-c2cnc3ccc(NC(=O)NCC)nc3n2)cn1.CCNC(=O)Nc1ccc2ncc(-c3ccc(CN4CCOCC4)cc3)nc2n1.CCNC(=O)Nc1ccc2ncc(-c3ccc(NC(=O)COCCOC)cc3)nc2n1.CCNC(=O)Nc1ccc2ncc(-c3ccc(OC(=O)OCCOC)c(OC)c3)nc2n1.CCNC(=O)Nc1ccc2ncc(-c3ccc(OC(=O)OCCOCc4ccccc4)c(OC)c3)nc2n1.CCNC(=O)Nc1ccc2ncc(-c3ccc(OC(=O)OCCOCc4ccccc4)cc3)nc2n1.CCNC(=O)Nc1ccc2ncc(-c3ccc(OCCOCCOC)cc3)nc2n1.CCNC(=O)Nc1ccc2ncc(/C=C/c3ccc(F)cc3)nc2n1.CCNC(=O)Nc1ccc2ncc(CCc3ccc(F)cc3)nc2n1.CCNC(=O)Nc1ccc2ncc(NC(=O)c3ccc(C)cc3)nc2n1 |
| InChI | InChI=1S/C27H27N5O6.C26H25N5O5.C21H24N6O4.C21H24N6O2.C21H23N5O6.C21H25N5O4.C18H18FN5O.C18H16FN5O.C18H20N8O2.C18H18N6O2/c1-3-28-26(33)32-24-12-10-20-25(31-24)30-21(16-29-20)19-9-11-22(23(15-19)35-2)38-27(34)37-14-13-36-17-18-7-5-4-6-8-18;1-2-27-25(32)31-23-13-12-21-24(30-23)29-22(16-28-21)19-8-10-20(11-9-19)36-26(33)35-15-14-34-17-18-6-4-3-5-7-18;1-3-22-21(29)27-18-9-8-16-20(26-18)25-17(12-23-16)14-4-6-15(7-5-14)24-19(28)13-31-11-10-30-2;1-2-22-21(28)26-19-8-7-17-20(25-19)24-18(13-23-17)16-5-3-15(4-6-16)14-27-9-11-29-12-10-27;1-4-22-20(27)26-18-8-6-14-19(25-18)24-15(12-23-14)13-5-7-16(17(11-13)30-3)32-21(28)31-10-9-29-2;1-3-22-21(27)26-19-9-8-17-20(25-19)24-18(14-23-17)15-4-6-16(7-5-15)30-13-12-29-11-10-28-2;2*1-2-20-18(25)24-16-10-9-15-17(23-16)22-14(11-21-15)8-5-12-3-6-13(19)7-4-12;1-3-19-17(27)25-14-7-5-11(9-22-14)13-10-21-12-6-8-15(24-16(12)23-13)26-18(28)20-4-2;1-3-19-18(26)24-14-9-8-13-16(21-14)22-15(10-20-13)23-17(25)12-6-4-11(2)5-7-12/h4-12,15-16H,3,13-14,17H2,1-2H3,(H2,28,30,31,32,33);3-13,16H,2,14-15,17H2,1H3,(H2,27,29,30,31,32);4-9,12H,3,10-11,13H2,1-2H3,(H,24,28)(H2,22,25,26,27,29);3-8,13H,2,9-12,14H2,1H3,(H2,22,24,25,26,28);5-8,11-12H,4,9-10H2,1-3H3,(H2,22,24,25,26,27);4-9,14H,3,10-13H2,1-2H3,(H2,22,24,25,26,27);3-4,6-7,9-11H,2,5,8H2,1H3,(H2,20,22,23,24,25);3-11H,2H2,1H3,(H2,20,22,23,24,25);5-10H,3-4H2,1-2H3,(H2,19,22,25,27)(H2,20,23,24,26,28);4-10H,3H2,1-2H3,(H3,19,21,22,23,24,25,26)/b;;;;;;;8-5+;; |
| InChIKey | MTTHNMYFCQQQMR-SHPSUDGOSA-N |
| XLogP | 31.78 |
| TPSA | 1121.58 Ų |
| H-Bond Donors | 24 |
| H-Bond Acceptors | 65 |
| Rotatable Bonds | 69 |
| Heavy Atoms | 300 |
| Complexity | — |
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 4082.41 |
| LogP ≤ 5 | 31.78 |
| H-Bond Donors ≤ 5 | 24 |
| H-Bond Acceptors ≤ 10 | 65 |
| Structural Alerts | {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'phenyl_carbonate', 'substructure': 'N/A'} |
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