C153H140Cl2F2N30O16 — CID 173219641
N-[3-[1-(butan-2-ylcarbamoyl)-5-cyclopentylpyrazol-3-yl]-4-hydroxyphenyl]quinoxaline-2-carboxamide;N-[3-[5-cyclopentyl-1-[(3,4-dichlorophenyl)methylcarbamoyl]pyrazol-3-yl]-4-hydroxyphenyl]quinoxaline-2-carboxamide;N-[3-[5-cyclopentyl-1-[(2-fluorophenyl)methylcarbamoyl]pyrazol-3-yl]-4-hydroxyphenyl]quinoxaline-2-carboxamide;N-[3-[5-cyclopentyl-1-[(3-fluorophenyl)methylcarbamoyl]pyrazol-3-yl]-4-hydroxyphenyl]quinoxaline-2-carboxamide;N-[3-[5-cyclopentyl-1-[(4-methoxyphenyl)methylcarbamoyl]pyrazol-3-yl]-4-hydroxyphenyl]quinoxaline-2-carboxamide (PubChem CID 173219641) has the molecular formula C153H140Cl2F2N30O16 and a molecular weight of 2763.90 g/mol. Its IUPAC name is N-[3-[1-(butan-2-ylcarbamoyl)-5-cyclopentylpyrazol-3-yl]-4-hydroxyphenyl]quinoxaline-2-carboxamide;N-[3-[5-cyclopentyl-1-[(3,4-dichlorophenyl)methylcarbamoyl]pyrazol-3-yl]-4-hydroxyphenyl]quinoxaline-2-carboxamide;N-[3-[5-cyclopentyl-1-[(2-fluorophenyl)methylcarbamoyl]pyrazol-3-yl]-4-hydroxyphenyl]quinoxaline-2-carboxamide;N-[3-[5-cyclopentyl-1-[(3-fluorophenyl)methylcarbamoyl]pyrazol-3-yl]-4-hydroxyphenyl]quinoxaline-2-carboxamide;N-[3-[5-cyclopentyl-1-[(4-methoxyphenyl)methylcarbamoyl]pyrazol-3-yl]-4-hydroxyphenyl]quinoxaline-2-carboxamide.
| Compound Name | N-[3-[1-(butan-2-ylcarbamoyl)-5-cyclopentylpyrazol-3-yl]-4-hydroxyphenyl]quinoxaline-2-carboxamide;N-[3-[5-cyclopentyl-1-[(3,4-dichlorophenyl)methylcarbamoyl]pyrazol-3-yl]-4-hydroxyphenyl]quinoxaline-2-carboxamide;N-[3-[5-cyclopentyl-1-[(2-fluorophenyl)methylcarbamoyl]pyrazol-3-yl]-4-hydroxyphenyl]quinoxaline-2-carboxamide;N-[3-[5-cyclopentyl-1-[(3-fluorophenyl)methylcarbamoyl]pyrazol-3-yl]-4-hydroxyphenyl]quinoxaline-2-carboxamide;N-[3-[5-cyclopentyl-1-[(4-methoxyphenyl)methylcarbamoyl]pyrazol-3-yl]-4-hydroxyphenyl]quinoxaline-2-carboxamide |
|---|---|
| PubChem CID | 173219641 |
| Molecular Formula | C153H140Cl2F2N30O16 |
| Molecular Weight | 2763.90 g/mol |
| Exact Mass | 2761.04 |
| IUPAC Name | N-[3-[1-(butan-2-ylcarbamoyl)-5-cyclopentylpyrazol-3-yl]-4-hydroxyphenyl]quinoxaline-2-carboxamide;N-[3-[5-cyclopentyl-1-[(3,4-dichlorophenyl)methylcarbamoyl]pyrazol-3-yl]-4-hydroxyphenyl]quinoxaline-2-carboxamide;N-[3-[5-cyclopentyl-1-[(2-fluorophenyl)methylcarbamoyl]pyrazol-3-yl]-4-hydroxyphenyl]quinoxaline-2-carboxamide;N-[3-[5-cyclopentyl-1-[(3-fluorophenyl)methylcarbamoyl]pyrazol-3-yl]-4-hydroxyphenyl]quinoxaline-2-carboxamide;N-[3-[5-cyclopentyl-1-[(4-methoxyphenyl)methylcarbamoyl]pyrazol-3-yl]-4-hydroxyphenyl]quinoxaline-2-carboxamide |
| SMILES | CCC(C)NC(=O)n1nc(-c2cc(NC(=O)c3cnc4ccccc4n3)ccc2O)cc1C1CCCC1.COc1ccc(CNC(=O)n2nc(-c3cc(NC(=O)c4cnc5ccccc5n4)ccc3O)cc2C2CCCC2)cc1.O=C(Nc1ccc(O)c(-c2cc(C3CCCC3)n(C(=O)NCc3ccc(Cl)c(Cl)c3)n2)c1)c1cnc2ccccc2n1.O=C(Nc1ccc(O)c(-c2cc(C3CCCC3)n(C(=O)NCc3cccc(F)c3)n2)c1)c1cnc2ccccc2n1.O=C(Nc1ccc(O)c(-c2cc(C3CCCC3)n(C(=O)NCc3ccccc3F)n2)c1)c1cnc2ccccc2n1 |
| InChI | InChI=1S/C32H30N6O4.C31H26Cl2N6O3.2C31H27FN6O3.C28H30N6O3/c1-42-23-13-10-20(11-14-23)18-34-32(41)38-29(21-6-2-3-7-21)17-27(37-38)24-16-22(12-15-30(24)39)35-31(40)28-19-33-25-8-4-5-9-26(25)36-28;32-22-11-9-18(13-23(22)33)16-35-31(42)39-28(19-5-1-2-6-19)15-26(38-39)21-14-20(10-12-29(21)40)36-30(41)27-17-34-24-7-3-4-8-25(24)37-27;32-21-9-5-6-19(14-21)17-34-31(41)38-28(20-7-1-2-8-20)16-26(37-38)23-15-22(12-13-29(23)39)35-30(40)27-18-33-24-10-3-4-11-25(24)36-27;32-23-10-4-3-9-20(23)17-34-31(41)38-28(19-7-1-2-8-19)16-26(37-38)22-15-21(13-14-29(22)39)35-30(40)27-18-33-24-11-5-6-12-25(24)36-27;1-3-17(2)30-28(37)34-25(18-8-4-5-9-18)15-23(33-34)20-14-19(12-13-26(20)35)31-27(36)24-16-29-21-10-6-7-11-22(21)32-24/h4-5,8-17,19,21,39H,2-3,6-7,18H2,1H3,(H,34,41)(H,35,40);3-4,7-15,17,19,40H,1-2,5-6,16H2,(H,35,42)(H,36,41);3-6,9-16,18,20,39H,1-2,7-8,17H2,(H,34,41)(H,35,40);3-6,9-16,18-19,39H,1-2,7-8,17H2,(H,34,41)(H,35,40);6-7,10-18,35H,3-5,8-9H2,1-2H3,(H,30,37)(H,31,36) |
| InChIKey | BNHWKGSIETVGAO-UHFFFAOYSA-N |
| XLogP | 30.53 |
| TPSA | 619.38 Ų |
| H-Bond Donors | 15 |
| H-Bond Acceptors | 36 |
| Rotatable Bonds | 31 |
| Heavy Atoms | 203 |
| Complexity | — |
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2763.90 |
| LogP ≤ 5 | 30.53 |
| H-Bond Donors ≤ 5 | 15 |
| H-Bond Acceptors ≤ 10 | 36 |
| Structural Alerts | {'alert_name': 'hydroquinone', 'substructure': 'N/A'} |
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