C270H297ClCo4FN61O29S3 — CID 165042951
N-butyl-N-(2-chloro-5-methoxyphenyl)-3-(1-methylpyrazol-4-yl)quinoxalin-6-amine;cobalt;2-[3-[cyclopropylmethyl-[3-[1-(2-methylsulfonylethyl)pyrazol-4-yl]quinoxalin-6-yl]amino]-5-methoxyphenoxy]ethanol;N-(cyclopropylmethyl)-3-[1-(oxan-2-yl)pyrazol-4-yl]-N-phenylquinoxalin-6-amine;3-[cyclopropylmethyl-[3-(1H-pyrazol-4-yl)quinoxalin-6-yl]amino]-5-methoxy-N-methylbenzamide;2-[4-[7-[3,5-dimethoxy-N-[2-(methylamino)ethyl]anilino]quinoxalin-2-yl]pyrazol-1-yl]ethanol;N-[3-(3,5-dimethoxy-N-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]anilino)propyl]methanesulfonamide;N-(3,5-dimethoxyphenyl)-3-(1-methylpyrazol-4-yl)-N-(2-piperidin-1-ylethyl)quinoxalin-6-amine;N-(3,5-dimethoxyphenyl)-3-(1-methylpyrazol-4-yl)-N-prop-2-ynylquinoxalin-6-amine;2-[4-[7-(3,5-dimethoxy-N-propylanilino)quinoxalin-2-yl]pyrazol-1-yl]ethanol;7-[N-[3-(dimethylsulfamoylamino)propyl]-3,5-dimethoxyanilino]-2-(1-methylpyrazol-4-yl)quinoxaline;2-[4-[7-(3-fluoro-5-methoxy-N-propylanilino)quinoxalin-2-yl]pyrazol-1-yl]ethanol (PubChem CID 165042951) has the molecular formula C270H297ClCo4FN61O29S3 and a molecular weight of 5247.13 g/mol. Its IUPAC name is N-butyl-N-(2-chloro-5-methoxyphenyl)-3-(1-methylpyrazol-4-yl)quinoxalin-6-amine;cobalt;2-[3-[cyclopropylmethyl-[3-[1-(2-methylsulfonylethyl)pyrazol-4-yl]quinoxalin-6-yl]amino]-5-methoxyphenoxy]ethanol;N-(cyclopropylmethyl)-3-[1-(oxan-2-yl)pyrazol-4-yl]-N-phenylquinoxalin-6-amine;3-[cyclopropylmethyl-[3-(1H-pyrazol-4-yl)quinoxalin-6-yl]amino]-5-methoxy-N-methylbenzamide;2-[4-[7-[3,5-dimethoxy-N-[2-(methylamino)ethyl]anilino]quinoxalin-2-yl]pyrazol-1-yl]ethanol;N-[3-(3,5-dimethoxy-N-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]anilino)propyl]methanesulfonamide;N-(3,5-dimethoxyphenyl)-3-(1-methylpyrazol-4-yl)-N-(2-piperidin-1-ylethyl)quinoxalin-6-amine;N-(3,5-dimethoxyphenyl)-3-(1-methylpyrazol-4-yl)-N-prop-2-ynylquinoxalin-6-amine;2-[4-[7-(3,5-dimethoxy-N-propylanilino)quinoxalin-2-yl]pyrazol-1-yl]ethanol;7-[N-[3-(dimethylsulfamoylamino)propyl]-3,5-dimethoxyanilino]-2-(1-methylpyrazol-4-yl)quinoxaline;2-[4-[7-(3-fluoro-5-methoxy-N-propylanilino)quinoxalin-2-yl]pyrazol-1-yl]ethanol.
| Compound Name | N-butyl-N-(2-chloro-5-methoxyphenyl)-3-(1-methylpyrazol-4-yl)quinoxalin-6-amine;cobalt;2-[3-[cyclopropylmethyl-[3-[1-(2-methylsulfonylethyl)pyrazol-4-yl]quinoxalin-6-yl]amino]-5-methoxyphenoxy]ethanol;N-(cyclopropylmethyl)-3-[1-(oxan-2-yl)pyrazol-4-yl]-N-phenylquinoxalin-6-amine;3-[cyclopropylmethyl-[3-(1H-pyrazol-4-yl)quinoxalin-6-yl]amino]-5-methoxy-N-methylbenzamide;2-[4-[7-[3,5-dimethoxy-N-[2-(methylamino)ethyl]anilino]quinoxalin-2-yl]pyrazol-1-yl]ethanol;N-[3-(3,5-dimethoxy-N-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]anilino)propyl]methanesulfonamide;N-(3,5-dimethoxyphenyl)-3-(1-methylpyrazol-4-yl)-N-(2-piperidin-1-ylethyl)quinoxalin-6-amine;N-(3,5-dimethoxyphenyl)-3-(1-methylpyrazol-4-yl)-N-prop-2-ynylquinoxalin-6-amine;2-[4-[7-(3,5-dimethoxy-N-propylanilino)quinoxalin-2-yl]pyrazol-1-yl]ethanol;7-[N-[3-(dimethylsulfamoylamino)propyl]-3,5-dimethoxyanilino]-2-(1-methylpyrazol-4-yl)quinoxaline;2-[4-[7-(3-fluoro-5-methoxy-N-propylanilino)quinoxalin-2-yl]pyrazol-1-yl]ethanol |
|---|---|
| PubChem CID | 165042951 |
| Molecular Formula | C270H297ClCo4FN61O29S3 |
| Molecular Weight | 5247.13 g/mol |
| Exact Mass | 5242.98 |
| IUPAC Name | N-butyl-N-(2-chloro-5-methoxyphenyl)-3-(1-methylpyrazol-4-yl)quinoxalin-6-amine;cobalt;2-[3-[cyclopropylmethyl-[3-[1-(2-methylsulfonylethyl)pyrazol-4-yl]quinoxalin-6-yl]amino]-5-methoxyphenoxy]ethanol;N-(cyclopropylmethyl)-3-[1-(oxan-2-yl)pyrazol-4-yl]-N-phenylquinoxalin-6-amine;3-[cyclopropylmethyl-[3-(1H-pyrazol-4-yl)quinoxalin-6-yl]amino]-5-methoxy-N-methylbenzamide;2-[4-[7-[3,5-dimethoxy-N-[2-(methylamino)ethyl]anilino]quinoxalin-2-yl]pyrazol-1-yl]ethanol;N-[3-(3,5-dimethoxy-N-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]anilino)propyl]methanesulfonamide;N-(3,5-dimethoxyphenyl)-3-(1-methylpyrazol-4-yl)-N-(2-piperidin-1-ylethyl)quinoxalin-6-amine;N-(3,5-dimethoxyphenyl)-3-(1-methylpyrazol-4-yl)-N-prop-2-ynylquinoxalin-6-amine;2-[4-[7-(3,5-dimethoxy-N-propylanilino)quinoxalin-2-yl]pyrazol-1-yl]ethanol;7-[N-[3-(dimethylsulfamoylamino)propyl]-3,5-dimethoxyanilino]-2-(1-methylpyrazol-4-yl)quinoxaline;2-[4-[7-(3-fluoro-5-methoxy-N-propylanilino)quinoxalin-2-yl]pyrazol-1-yl]ethanol |
| SMILES | C#CCN(c1cc(OC)cc(OC)c1)c1ccc2ncc(-c3cnn(C)c3)nc2c1.CCCCN(c1ccc2ncc(-c3cnn(C)c3)nc2c1)c1cc(OC)ccc1Cl.CCCN(c1cc(F)cc(OC)c1)c1ccc2ncc(-c3cnn(CCO)c3)nc2c1.CCCN(c1cc(OC)cc(OC)c1)c1ccc2ncc(-c3cnn(CCO)c3)nc2c1.CNC(=O)c1cc(OC)cc(N(CC2CC2)c2ccc3ncc(-c4cn[nH]c4)nc3c2)c1.CNCCN(c1cc(OC)cc(OC)c1)c1ccc2ncc(-c3cnn(CCO)c3)nc2c1.COc1cc(OC)cc(N(CCCNS(=O)(=O)N(C)C)c2ccc3ncc(-c4cnn(C)c4)nc3c2)c1.COc1cc(OC)cc(N(CCCNS(C)(=O)=O)c2ccc3ncc(-c4cnn(C)c4)nc3c2)c1.COc1cc(OC)cc(N(CCN2CCCCC2)c2ccc3ncc(-c4cnn(C)c4)nc3c2)c1.COc1cc(OCCO)cc(N(CC2CC2)c2ccc3ncc(-c4cnn(CCS(C)(=O)=O)c4)nc3c2)c1.[Co].[Co].[Co].[Co].c1ccc(N(CC2CC2)c2ccc3ncc(-c4cnn(C5CCCCO5)c4)nc3c2)cc1 |
| InChI | InChI=1S/C27H32N6O2.C27H31N5O5S.C26H27N5O.C25H31N7O4S.C24H28N6O4S.C24H28N6O3.C24H24N6O2.C24H27N5O3.C23H24ClN5O.C23H24FN5O2.C23H21N5O2.4Co/c1-31-19-20(17-29-31)27-18-28-25-8-7-21(15-26(25)30-27)33(12-11-32-9-5-4-6-10-32)22-13-23(34-2)16-24(14-22)35-3;1-36-23-11-22(12-24(14-23)37-9-8-33)32(17-19-3-4-19)21-5-6-25-26(13-21)30-27(16-28-25)20-15-29-31(18-20)7-10-38(2,34)35;1-2-6-21(7-3-1)30(17-19-9-10-19)22-11-12-23-24(14-22)29-25(16-27-23)20-15-28-31(18-20)26-8-4-5-13-32-26;1-30(2)37(33,34)28-9-6-10-32(20-11-21(35-4)14-22(12-20)36-5)19-7-8-23-24(13-19)29-25(16-26-23)18-15-27-31(3)17-18;1-29-16-17(14-26-29)24-15-25-22-7-6-18(12-23(22)28-24)30(9-5-8-27-35(4,31)32)19-10-20(33-2)13-21(11-19)34-3;1-25-6-7-30(19-10-20(32-2)13-21(11-19)33-3)18-4-5-22-23(12-18)28-24(15-26-22)17-14-27-29(16-17)8-9-31;1-25-24(31)16-7-19(9-20(8-16)32-2)30(14-15-3-4-15)18-5-6-21-22(10-18)29-23(13-26-21)17-11-27-28-12-17;1-4-7-29(19-10-20(31-2)13-21(11-19)32-3)18-5-6-22-23(12-18)27-24(15-25-22)17-14-26-28(16-17)8-9-30;1-4-5-10-29(23-12-18(30-3)7-8-19(23)24)17-6-9-20-21(11-17)27-22(14-25-20)16-13-26-28(2)15-16;1-3-6-29(19-9-17(24)10-20(11-19)31-2)18-4-5-21-22(12-18)27-23(14-25-21)16-13-26-28(15-16)7-8-30;1-5-8-28(18-9-19(29-3)12-20(10-18)30-4)17-6-7-21-22(11-17)26-23(14-24-21)16-13-25-27(2)15-16;;;;/h7-8,13-19H,4-6,9-12H2,1-3H3;5-6,11-16,18-19,33H,3-4,7-10,17H2,1-2H3;1-3,6-7,11-12,14-16,18-19,26H,4-5,8-10,13,17H2;7-8,11-17,28H,6,9-10H2,1-5H3;6-7,10-16,27H,5,8-9H2,1-4H3;4-5,10-16,25,31H,6-9H2,1-3H3;5-13,15H,3-4,14H2,1-2H3,(H,25,31)(H,27,28);5-6,10-16,30H,4,7-9H2,1-3H3;6-9,11-15H,4-5,10H2,1-3H3;4-5,9-15,30H,3,6-8H2,1-2H3;1,6-7,9-15H,8H2,2-4H3;;;; |
| InChIKey | OKWIBCUGOOAHIX-UHFFFAOYSA-N |
| XLogP | 44.44 |
| TPSA | 947.25 Ų |
| H-Bond Donors | 9 |
| H-Bond Acceptors | 85 |
| Rotatable Bonds | 94 |
| Heavy Atoms | 369 |
| Complexity | — |
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 5247.13 |
| LogP ≤ 5 | 44.44 |
| H-Bond Donors ≤ 5 | 9 |
| H-Bond Acceptors ≤ 10 | 85 |