C189H202ClF4N69O20 — CID 160555223
1-[3-[4-chloro-3-(trifluoromethyl)phenyl]pyrido[2,3-b]pyrazin-6-yl]-3-ethylurea;1-[3-(cyclopropylmethylamino)pyrido[2,3-b]pyrazin-6-yl]-3-ethylurea;1-ethyl-3-[3-[(4-fluorophenyl)methoxy]pyrido[2,3-b]pyrazin-6-yl]urea;1-ethyl-3-[3-(2-hydroxyphenyl)pyrido[2,3-b]pyrazin-6-yl]urea;1-ethyl-3-[3-(2-methoxyethylamino)pyrido[2,3-b]pyrazin-6-yl]urea;1-ethyl-3-[3-(4-methylpiperazin-1-yl)pyrido[2,3-b]pyrazin-6-yl]urea;1-ethyl-3-[3-(4-morpholin-4-ylphenyl)pyrido[2,3-b]pyrazin-6-yl]urea;1-ethyl-3-[3-(oxolan-2-ylmethoxy)pyrido[2,3-b]pyrazin-6-yl]urea;1-ethyl-3-(3-phenoxypyrido[2,3-b]pyrazin-6-yl)urea;1-ethyl-3-[3-(pyridin-4-ylmethylamino)pyrido[2,3-b]pyrazin-6-yl]urea;1-ethyl-3-(3-pyridin-3-yloxypyrido[2,3-b]pyrazin-6-yl)urea;1-ethyl-3-(3-pyridin-4-ylpyrido[2,3-b]pyrazin-6-yl)urea (PubChem CID 160555223) has the molecular formula C189H202ClF4N69O20 and a molecular weight of 3871.60 g/mol. Its IUPAC name is 1-[3-[4-chloro-3-(trifluoromethyl)phenyl]pyrido[2,3-b]pyrazin-6-yl]-3-ethylurea;1-[3-(cyclopropylmethylamino)pyrido[2,3-b]pyrazin-6-yl]-3-ethylurea;1-ethyl-3-[3-[(4-fluorophenyl)methoxy]pyrido[2,3-b]pyrazin-6-yl]urea;1-ethyl-3-[3-(2-hydroxyphenyl)pyrido[2,3-b]pyrazin-6-yl]urea;1-ethyl-3-[3-(2-methoxyethylamino)pyrido[2,3-b]pyrazin-6-yl]urea;1-ethyl-3-[3-(4-methylpiperazin-1-yl)pyrido[2,3-b]pyrazin-6-yl]urea;1-ethyl-3-[3-(4-morpholin-4-ylphenyl)pyrido[2,3-b]pyrazin-6-yl]urea;1-ethyl-3-[3-(oxolan-2-ylmethoxy)pyrido[2,3-b]pyrazin-6-yl]urea;1-ethyl-3-(3-phenoxypyrido[2,3-b]pyrazin-6-yl)urea;1-ethyl-3-[3-(pyridin-4-ylmethylamino)pyrido[2,3-b]pyrazin-6-yl]urea;1-ethyl-3-(3-pyridin-3-yloxypyrido[2,3-b]pyrazin-6-yl)urea;1-ethyl-3-(3-pyridin-4-ylpyrido[2,3-b]pyrazin-6-yl)urea.
| Compound Name | 1-[3-[4-chloro-3-(trifluoromethyl)phenyl]pyrido[2,3-b]pyrazin-6-yl]-3-ethylurea;1-[3-(cyclopropylmethylamino)pyrido[2,3-b]pyrazin-6-yl]-3-ethylurea;1-ethyl-3-[3-[(4-fluorophenyl)methoxy]pyrido[2,3-b]pyrazin-6-yl]urea;1-ethyl-3-[3-(2-hydroxyphenyl)pyrido[2,3-b]pyrazin-6-yl]urea;1-ethyl-3-[3-(2-methoxyethylamino)pyrido[2,3-b]pyrazin-6-yl]urea;1-ethyl-3-[3-(4-methylpiperazin-1-yl)pyrido[2,3-b]pyrazin-6-yl]urea;1-ethyl-3-[3-(4-morpholin-4-ylphenyl)pyrido[2,3-b]pyrazin-6-yl]urea;1-ethyl-3-[3-(oxolan-2-ylmethoxy)pyrido[2,3-b]pyrazin-6-yl]urea;1-ethyl-3-(3-phenoxypyrido[2,3-b]pyrazin-6-yl)urea;1-ethyl-3-[3-(pyridin-4-ylmethylamino)pyrido[2,3-b]pyrazin-6-yl]urea;1-ethyl-3-(3-pyridin-3-yloxypyrido[2,3-b]pyrazin-6-yl)urea;1-ethyl-3-(3-pyridin-4-ylpyrido[2,3-b]pyrazin-6-yl)urea |
|---|---|
| PubChem CID | 160555223 |
| Molecular Formula | C189H202ClF4N69O20 |
| Molecular Weight | 3871.60 g/mol |
| Exact Mass | 3868.65 |
| IUPAC Name | 1-[3-[4-chloro-3-(trifluoromethyl)phenyl]pyrido[2,3-b]pyrazin-6-yl]-3-ethylurea;1-[3-(cyclopropylmethylamino)pyrido[2,3-b]pyrazin-6-yl]-3-ethylurea;1-ethyl-3-[3-[(4-fluorophenyl)methoxy]pyrido[2,3-b]pyrazin-6-yl]urea;1-ethyl-3-[3-(2-hydroxyphenyl)pyrido[2,3-b]pyrazin-6-yl]urea;1-ethyl-3-[3-(2-methoxyethylamino)pyrido[2,3-b]pyrazin-6-yl]urea;1-ethyl-3-[3-(4-methylpiperazin-1-yl)pyrido[2,3-b]pyrazin-6-yl]urea;1-ethyl-3-[3-(4-morpholin-4-ylphenyl)pyrido[2,3-b]pyrazin-6-yl]urea;1-ethyl-3-[3-(oxolan-2-ylmethoxy)pyrido[2,3-b]pyrazin-6-yl]urea;1-ethyl-3-(3-phenoxypyrido[2,3-b]pyrazin-6-yl)urea;1-ethyl-3-[3-(pyridin-4-ylmethylamino)pyrido[2,3-b]pyrazin-6-yl]urea;1-ethyl-3-(3-pyridin-3-yloxypyrido[2,3-b]pyrazin-6-yl)urea;1-ethyl-3-(3-pyridin-4-ylpyrido[2,3-b]pyrazin-6-yl)urea |
| SMILES | CCNC(=O)Nc1ccc2ncc(-c3ccc(Cl)c(C(F)(F)F)c3)nc2n1.CCNC(=O)Nc1ccc2ncc(-c3ccc(N4CCOCC4)cc3)nc2n1.CCNC(=O)Nc1ccc2ncc(-c3ccccc3O)nc2n1.CCNC(=O)Nc1ccc2ncc(-c3ccncc3)nc2n1.CCNC(=O)Nc1ccc2ncc(N3CCN(C)CC3)nc2n1.CCNC(=O)Nc1ccc2ncc(NCC3CC3)nc2n1.CCNC(=O)Nc1ccc2ncc(NCCOC)nc2n1.CCNC(=O)Nc1ccc2ncc(NCc3ccncc3)nc2n1.CCNC(=O)Nc1ccc2ncc(OCC3CCCO3)nc2n1.CCNC(=O)Nc1ccc2ncc(OCc3ccc(F)cc3)nc2n1.CCNC(=O)Nc1ccc2ncc(Oc3ccccc3)nc2n1.CCNC(=O)Nc1ccc2ncc(Oc3cccnc3)nc2n1 |
| InChI | InChI=1S/C20H22N6O2.C17H13ClF3N5O.C17H16FN5O2.C16H17N7O.2C16H15N5O2.C15H21N7O.C15H14N6O2.C15H14N6O.C15H19N5O3.C14H18N6O.C13H18N6O2/c1-2-21-20(27)25-18-8-7-16-19(24-18)23-17(13-22-16)14-3-5-15(6-4-14)26-9-11-28-12-10-26;1-2-22-16(27)26-14-6-5-12-15(25-14)24-13(8-23-12)9-3-4-11(18)10(7-9)17(19,20)21;1-2-19-17(24)22-14-8-7-13-16(21-14)23-15(9-20-13)25-10-11-3-5-12(18)6-4-11;1-2-18-16(24)23-13-4-3-12-15(21-13)22-14(10-19-12)20-9-11-5-7-17-8-6-11;1-2-17-16(23)21-14-8-7-11-15(20-14)19-12(9-18-11)10-5-3-4-6-13(10)22;1-2-17-16(22)20-13-9-8-12-15(19-13)21-14(10-18-12)23-11-6-4-3-5-7-11;1-3-16-15(23)19-12-5-4-11-14(18-12)20-13(10-17-11)22-8-6-21(2)7-9-22;1-2-17-15(22)20-12-6-5-11-14(19-12)21-13(9-18-11)23-10-4-3-7-16-8-10;1-2-17-15(22)21-13-4-3-11-14(20-13)19-12(9-18-11)10-5-7-16-8-6-10;1-2-16-15(21)19-12-6-5-11-14(18-12)20-13(8-17-11)23-9-10-4-3-7-22-10;1-2-15-14(21)20-11-6-5-10-13(18-11)19-12(8-16-10)17-7-9-3-4-9;1-3-14-13(20)19-10-5-4-9-12(17-10)18-11(8-16-9)15-6-7-21-2/h3-8,13H,2,9-12H2,1H3,(H2,21,23,24,25,27);3-8H,2H2,1H3,(H2,22,24,25,26,27);3-9H,2,10H2,1H3,(H2,19,21,22,23,24);3-8,10H,2,9H2,1H3,(H3,18,20,21,22,23,24);3-9,22H,2H2,1H3,(H2,17,19,20,21,23);3-10H,2H2,1H3,(H2,17,19,20,21,22);4-5,10H,3,6-9H2,1-2H3,(H2,16,18,19,20,23);3-9H,2H2,1H3,(H2,17,19,20,21,22);3-9H,2H2,1H3,(H2,17,19,20,21,22);5-6,8,10H,2-4,7,9H2,1H3,(H2,16,18,19,20,21);5-6,8-9H,2-4,7H2,1H3,(H3,15,17,18,19,20,21);4-5,8H,3,6-7H2,1-2H3,(H3,14,15,17,18,19,20) |
| InChIKey | QYPCFGFDIGRSNH-UHFFFAOYSA-N |
| XLogP | 28.17 |
| TPSA | 1126.92 Ų |
| H-Bond Donors | 28 |
| H-Bond Acceptors | 65 |
| Rotatable Bonds | 50 |
| Heavy Atoms | 283 |
| Complexity | — |
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 3871.60 |
| LogP ≤ 5 | 28.17 |
| H-Bond Donors ≤ 5 | 28 |
| H-Bond Acceptors ≤ 10 | 65 |
| Structural Alerts | {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'} |
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