C162H153Cl2F2N51O13S — CID 157406769
1-[3-(4-aminophenyl)pyrido[2,3-b]pyrazin-6-yl]-3-methylthiourea;1-(2-chloroethyl)-3-[3-(4-fluorophenyl)pyrido[2,3-b]pyrazin-6-yl]urea;1-(3-chloropyrido[2,3-b]pyrazin-6-yl)-3-ethylurea;1,1-diethyl-3-(3-phenylpyrido[2,3-b]pyrazin-6-yl)urea;1-ethyl-3-[3-(4-methoxyphenyl)pyrido[2,3-b]pyrazin-6-yl]urea;N-ethyl-N-[(3-phenylpyrido[2,3-b]pyrazin-6-yl)carbamoyl]acetamide;ethyl 2-[(3-phenylpyrido[2,3-b]pyrazin-6-yl)carbamoylamino]acetate;1-ethyl-3-(3-phenylpyrido[2,3-b]pyrazin-6-yl)urea;1-[3-(4-fluorophenyl)pyrido[2,3-b]pyrazin-6-yl]-3-prop-2-enylurea;1-(3-phenylpyrido[2,3-b]pyrazin-6-yl)-3-propylurea (PubChem CID 157406769) has the molecular formula C162H153Cl2F2N51O13S and a molecular weight of 3163.32 g/mol. Its IUPAC name is 1-[3-(4-aminophenyl)pyrido[2,3-b]pyrazin-6-yl]-3-methylthiourea;1-(2-chloroethyl)-3-[3-(4-fluorophenyl)pyrido[2,3-b]pyrazin-6-yl]urea;1-(3-chloropyrido[2,3-b]pyrazin-6-yl)-3-ethylurea;1,1-diethyl-3-(3-phenylpyrido[2,3-b]pyrazin-6-yl)urea;1-ethyl-3-[3-(4-methoxyphenyl)pyrido[2,3-b]pyrazin-6-yl]urea;N-ethyl-N-[(3-phenylpyrido[2,3-b]pyrazin-6-yl)carbamoyl]acetamide;ethyl 2-[(3-phenylpyrido[2,3-b]pyrazin-6-yl)carbamoylamino]acetate;1-ethyl-3-(3-phenylpyrido[2,3-b]pyrazin-6-yl)urea;1-[3-(4-fluorophenyl)pyrido[2,3-b]pyrazin-6-yl]-3-prop-2-enylurea;1-(3-phenylpyrido[2,3-b]pyrazin-6-yl)-3-propylurea.
| Compound Name | 1-[3-(4-aminophenyl)pyrido[2,3-b]pyrazin-6-yl]-3-methylthiourea;1-(2-chloroethyl)-3-[3-(4-fluorophenyl)pyrido[2,3-b]pyrazin-6-yl]urea;1-(3-chloropyrido[2,3-b]pyrazin-6-yl)-3-ethylurea;1,1-diethyl-3-(3-phenylpyrido[2,3-b]pyrazin-6-yl)urea;1-ethyl-3-[3-(4-methoxyphenyl)pyrido[2,3-b]pyrazin-6-yl]urea;N-ethyl-N-[(3-phenylpyrido[2,3-b]pyrazin-6-yl)carbamoyl]acetamide;ethyl 2-[(3-phenylpyrido[2,3-b]pyrazin-6-yl)carbamoylamino]acetate;1-ethyl-3-(3-phenylpyrido[2,3-b]pyrazin-6-yl)urea;1-[3-(4-fluorophenyl)pyrido[2,3-b]pyrazin-6-yl]-3-prop-2-enylurea;1-(3-phenylpyrido[2,3-b]pyrazin-6-yl)-3-propylurea |
|---|---|
| PubChem CID | 157406769 |
| Molecular Formula | C162H153Cl2F2N51O13S |
| Molecular Weight | 3163.32 g/mol |
| Exact Mass | 3160.19 |
| IUPAC Name | 1-[3-(4-aminophenyl)pyrido[2,3-b]pyrazin-6-yl]-3-methylthiourea;1-(2-chloroethyl)-3-[3-(4-fluorophenyl)pyrido[2,3-b]pyrazin-6-yl]urea;1-(3-chloropyrido[2,3-b]pyrazin-6-yl)-3-ethylurea;1,1-diethyl-3-(3-phenylpyrido[2,3-b]pyrazin-6-yl)urea;1-ethyl-3-[3-(4-methoxyphenyl)pyrido[2,3-b]pyrazin-6-yl]urea;N-ethyl-N-[(3-phenylpyrido[2,3-b]pyrazin-6-yl)carbamoyl]acetamide;ethyl 2-[(3-phenylpyrido[2,3-b]pyrazin-6-yl)carbamoylamino]acetate;1-ethyl-3-(3-phenylpyrido[2,3-b]pyrazin-6-yl)urea;1-[3-(4-fluorophenyl)pyrido[2,3-b]pyrazin-6-yl]-3-prop-2-enylurea;1-(3-phenylpyrido[2,3-b]pyrazin-6-yl)-3-propylurea |
| SMILES | C=CCNC(=O)Nc1ccc2ncc(-c3ccc(F)cc3)nc2n1.CCCNC(=O)Nc1ccc2ncc(-c3ccccc3)nc2n1.CCN(C(C)=O)C(=O)Nc1ccc2ncc(-c3ccccc3)nc2n1.CCN(CC)C(=O)Nc1ccc2ncc(-c3ccccc3)nc2n1.CCNC(=O)Nc1ccc2ncc(-c3ccc(OC)cc3)nc2n1.CCNC(=O)Nc1ccc2ncc(-c3ccccc3)nc2n1.CCNC(=O)Nc1ccc2ncc(Cl)nc2n1.CCOC(=O)CNC(=O)Nc1ccc2ncc(-c3ccccc3)nc2n1.CNC(=S)Nc1ccc2ncc(-c3ccc(N)cc3)nc2n1.O=C(NCCCl)Nc1ccc2ncc(-c3ccc(F)cc3)nc2n1 |
| InChI | InChI=1S/C18H17N5O3.C18H17N5O2.C18H19N5O.C17H14FN5O.C17H17N5O2.C17H17N5O.C16H13ClFN5O.C16H15N5O.C15H14N6S.C10H10ClN5O/c1-2-26-16(24)11-20-18(25)23-15-9-8-13-17(22-15)21-14(10-19-13)12-6-4-3-5-7-12;1-3-23(12(2)24)18(25)22-16-10-9-14-17(21-16)20-15(11-19-14)13-7-5-4-6-8-13;1-3-23(4-2)18(24)22-16-11-10-14-17(21-16)20-15(12-19-14)13-8-6-5-7-9-13;1-2-9-19-17(24)23-15-8-7-13-16(22-15)21-14(10-20-13)11-3-5-12(18)6-4-11;1-3-18-17(23)22-15-9-8-13-16(21-15)20-14(10-19-13)11-4-6-12(24-2)7-5-11;1-2-10-18-17(23)22-15-9-8-13-16(21-15)20-14(11-19-13)12-6-4-3-5-7-12;17-7-8-19-16(24)23-14-6-5-12-15(22-14)21-13(9-20-12)10-1-3-11(18)4-2-10;1-2-17-16(22)21-14-9-8-12-15(20-14)19-13(10-18-12)11-6-4-3-5-7-11;1-17-15(22)21-13-7-6-11-14(20-13)19-12(8-18-11)9-2-4-10(16)5-3-9;1-2-12-10(17)16-8-4-3-6-9(15-8)14-7(11)5-13-6/h3-10H,2,11H2,1H3,(H2,20,21,22,23,25);4-11H,3H2,1-2H3,(H,20,21,22,25);5-12H,3-4H2,1-2H3,(H,20,21,22,24);2-8,10H,1,9H2,(H2,19,21,22,23,24);4-10H,3H2,1-2H3,(H2,18,20,21,22,23);3-9,11H,2,10H2,1H3,(H2,18,20,21,22,23);1-6,9H,7-8H2,(H2,19,21,22,23,24);3-10H,2H2,1H3,(H2,17,19,20,21,22);2-8H,16H2,1H3,(H2,17,19,20,21,22);3-5H,2H2,1H3,(H2,12,14,15,16,17) |
| InChIKey | BNUQJSLRWGHOBR-UHFFFAOYSA-N |
| XLogP | 28.27 |
| TPSA | 841.97 Ų |
| H-Bond Donors | 19 |
| H-Bond Acceptors | 45 |
| Rotatable Bonds | 35 |
| Heavy Atoms | 231 |
| Complexity | — |
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 3163.32 |
| LogP ≤ 5 | 28.27 |
| H-Bond Donors ≤ 5 | 19 |
| H-Bond Acceptors ≤ 10 | 45 |
| Structural Alerts | {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'} |
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