C143H168N32O21 — CID 160905778
4-[3-tert-butyl-5-[[4-(2-morpholin-4-ylethoxy)phenyl]carbamoylamino]pyrazol-1-yl]-N,N-bis[2-(methylamino)-2-oxoethyl]benzamide;4-[3-tert-butyl-5-[[4-(2-pyridin-3-ylethoxy)naphthalen-1-yl]carbamoylamino]pyrazol-1-yl]-N,N-bis[2-(methylamino)-2-oxoethyl]benzamide;4-[3-tert-butyl-5-[[4-(2-pyridin-4-ylethoxy)naphthalen-1-yl]carbamoylamino]pyrazol-1-yl]-N,N-bis[2-(methylamino)-2-oxoethyl]benzamide;4-[3-tert-butyl-5-[[4-(2-pyridin-4-ylethoxy)phenyl]carbamoylamino]pyrazol-1-yl]-N,N-bis[2-(methylamino)-2-oxoethyl]benzamide (PubChem CID 160905778) has the molecular formula C143H168N32O21 and a molecular weight of 2671.12 g/mol. Its IUPAC name is 4-[3-tert-butyl-5-[[4-(2-morpholin-4-ylethoxy)phenyl]carbamoylamino]pyrazol-1-yl]-N,N-bis[2-(methylamino)-2-oxoethyl]benzamide;4-[3-tert-butyl-5-[[4-(2-pyridin-3-ylethoxy)naphthalen-1-yl]carbamoylamino]pyrazol-1-yl]-N,N-bis[2-(methylamino)-2-oxoethyl]benzamide;4-[3-tert-butyl-5-[[4-(2-pyridin-4-ylethoxy)naphthalen-1-yl]carbamoylamino]pyrazol-1-yl]-N,N-bis[2-(methylamino)-2-oxoethyl]benzamide;4-[3-tert-butyl-5-[[4-(2-pyridin-4-ylethoxy)phenyl]carbamoylamino]pyrazol-1-yl]-N,N-bis[2-(methylamino)-2-oxoethyl]benzamide.
| Compound Name | 4-[3-tert-butyl-5-[[4-(2-morpholin-4-ylethoxy)phenyl]carbamoylamino]pyrazol-1-yl]-N,N-bis[2-(methylamino)-2-oxoethyl]benzamide;4-[3-tert-butyl-5-[[4-(2-pyridin-3-ylethoxy)naphthalen-1-yl]carbamoylamino]pyrazol-1-yl]-N,N-bis[2-(methylamino)-2-oxoethyl]benzamide;4-[3-tert-butyl-5-[[4-(2-pyridin-4-ylethoxy)naphthalen-1-yl]carbamoylamino]pyrazol-1-yl]-N,N-bis[2-(methylamino)-2-oxoethyl]benzamide;4-[3-tert-butyl-5-[[4-(2-pyridin-4-ylethoxy)phenyl]carbamoylamino]pyrazol-1-yl]-N,N-bis[2-(methylamino)-2-oxoethyl]benzamide |
|---|---|
| PubChem CID | 160905778 |
| Molecular Formula | C143H168N32O21 |
| Molecular Weight | 2671.12 g/mol |
| Exact Mass | 2669.31 |
| IUPAC Name | 4-[3-tert-butyl-5-[[4-(2-morpholin-4-ylethoxy)phenyl]carbamoylamino]pyrazol-1-yl]-N,N-bis[2-(methylamino)-2-oxoethyl]benzamide;4-[3-tert-butyl-5-[[4-(2-pyridin-3-ylethoxy)naphthalen-1-yl]carbamoylamino]pyrazol-1-yl]-N,N-bis[2-(methylamino)-2-oxoethyl]benzamide;4-[3-tert-butyl-5-[[4-(2-pyridin-4-ylethoxy)naphthalen-1-yl]carbamoylamino]pyrazol-1-yl]-N,N-bis[2-(methylamino)-2-oxoethyl]benzamide;4-[3-tert-butyl-5-[[4-(2-pyridin-4-ylethoxy)phenyl]carbamoylamino]pyrazol-1-yl]-N,N-bis[2-(methylamino)-2-oxoethyl]benzamide |
| SMILES | CNC(=O)CN(CC(=O)NC)C(=O)c1ccc(-n2nc(C(C)(C)C)cc2NC(=O)Nc2ccc(OCCN3CCOCC3)cc2)cc1.CNC(=O)CN(CC(=O)NC)C(=O)c1ccc(-n2nc(C(C)(C)C)cc2NC(=O)Nc2ccc(OCCc3cccnc3)c3ccccc23)cc1.CNC(=O)CN(CC(=O)NC)C(=O)c1ccc(-n2nc(C(C)(C)C)cc2NC(=O)Nc2ccc(OCCc3ccncc3)c3ccccc23)cc1.CNC(=O)CN(CC(=O)NC)C(=O)c1ccc(-n2nc(C(C)(C)C)cc2NC(=O)Nc2ccc(OCCc3ccncc3)cc2)cc1 |
| InChI | InChI=1S/2C38H42N8O5.C34H40N8O5.C33H44N8O6/c1-38(2,3)32-21-33(46(44-32)27-14-12-26(13-15-27)36(49)45(23-34(47)39-4)24-35(48)40-5)43-37(50)42-30-16-17-31(29-11-7-6-10-28(29)30)51-20-18-25-9-8-19-41-22-25;1-38(2,3)32-22-33(46(44-32)27-12-10-26(11-13-27)36(49)45(23-34(47)39-4)24-35(48)40-5)43-37(50)42-30-14-15-31(29-9-7-6-8-28(29)30)51-21-18-25-16-19-41-20-17-25;1-34(2,3)28-20-29(39-33(46)38-25-8-12-27(13-9-25)47-19-16-23-14-17-37-18-15-23)42(40-28)26-10-6-24(7-11-26)32(45)41(21-30(43)35-4)22-31(44)36-5;1-33(2,3)27-20-28(37-32(45)36-24-8-12-26(13-9-24)47-19-16-39-14-17-46-18-15-39)41(38-27)25-10-6-23(7-11-25)31(44)40(21-29(42)34-4)22-30(43)35-5/h6-17,19,21-22H,18,20,23-24H2,1-5H3,(H,39,47)(H,40,48)(H2,42,43,50);6-17,19-20,22H,18,21,23-24H2,1-5H3,(H,39,47)(H,40,48)(H2,42,43,50);6-15,17-18,20H,16,19,21-22H2,1-5H3,(H,35,43)(H,36,44)(H2,38,39,46);6-13,20H,14-19,21-22H2,1-5H3,(H,34,42)(H,35,43)(H2,36,37,45) |
| InChIKey | SQCSORYSDVDALL-UHFFFAOYSA-N |
| XLogP | 16.06 |
| TPSA | 637.90 Ų |
| H-Bond Donors | 16 |
| H-Bond Acceptors | 33 |
| Rotatable Bonds | 48 |
| Heavy Atoms | 196 |
| Complexity | — |
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2671.12 |
| LogP ≤ 5 | 16.06 |
| H-Bond Donors ≤ 5 | 16 |
| H-Bond Acceptors ≤ 10 | 33 |