C168H192N24O13S — CID 159101657
1-[5-tert-butyl-3-(methanesulfonamido)-2-methoxyphenyl]-3-[4-[6-(piperidin-1-ylmethyl)-3-pyridinyl]naphthalen-1-yl]urea;N-[5-[4-[(5-tert-butyl-2-methoxyphenyl)carbamoylamino]naphthalen-1-yl]-2-pyridinyl]acetamide;1-(5-tert-butyl-2-methoxyphenyl)-3-[4-[6-(piperidin-1-ylmethyl)-3-pyridinyl]naphthalen-1-yl]urea;N-[5-tert-butyl-2-methoxy-3-[[4-[6-(piperidin-1-ylmethyl)-3-pyridinyl]naphthalen-1-yl]carbamoylamino]phenyl]propanamide;1-[3-tert-butyl-1-(4-methylphenyl)pyrazol-5-yl]-3-[4-[6-(piperidin-1-ylmethyl)-3-pyridinyl]naphthalen-1-yl]urea (PubChem CID 159101657) has the molecular formula C168H192N24O13S and a molecular weight of 2787.61 g/mol. Its IUPAC name is 1-[5-tert-butyl-3-(methanesulfonamido)-2-methoxyphenyl]-3-[4-[6-(piperidin-1-ylmethyl)-3-pyridinyl]naphthalen-1-yl]urea;N-[5-[4-[(5-tert-butyl-2-methoxyphenyl)carbamoylamino]naphthalen-1-yl]-2-pyridinyl]acetamide;1-(5-tert-butyl-2-methoxyphenyl)-3-[4-[6-(piperidin-1-ylmethyl)-3-pyridinyl]naphthalen-1-yl]urea;N-[5-tert-butyl-2-methoxy-3-[[4-[6-(piperidin-1-ylmethyl)-3-pyridinyl]naphthalen-1-yl]carbamoylamino]phenyl]propanamide;1-[3-tert-butyl-1-(4-methylphenyl)pyrazol-5-yl]-3-[4-[6-(piperidin-1-ylmethyl)-3-pyridinyl]naphthalen-1-yl]urea.
| Compound Name | 1-[5-tert-butyl-3-(methanesulfonamido)-2-methoxyphenyl]-3-[4-[6-(piperidin-1-ylmethyl)-3-pyridinyl]naphthalen-1-yl]urea;N-[5-[4-[(5-tert-butyl-2-methoxyphenyl)carbamoylamino]naphthalen-1-yl]-2-pyridinyl]acetamide;1-(5-tert-butyl-2-methoxyphenyl)-3-[4-[6-(piperidin-1-ylmethyl)-3-pyridinyl]naphthalen-1-yl]urea;N-[5-tert-butyl-2-methoxy-3-[[4-[6-(piperidin-1-ylmethyl)-3-pyridinyl]naphthalen-1-yl]carbamoylamino]phenyl]propanamide;1-[3-tert-butyl-1-(4-methylphenyl)pyrazol-5-yl]-3-[4-[6-(piperidin-1-ylmethyl)-3-pyridinyl]naphthalen-1-yl]urea |
|---|---|
| PubChem CID | 159101657 |
| Molecular Formula | C168H192N24O13S |
| Molecular Weight | 2787.61 g/mol |
| Exact Mass | 2785.48 |
| IUPAC Name | 1-[5-tert-butyl-3-(methanesulfonamido)-2-methoxyphenyl]-3-[4-[6-(piperidin-1-ylmethyl)-3-pyridinyl]naphthalen-1-yl]urea;N-[5-[4-[(5-tert-butyl-2-methoxyphenyl)carbamoylamino]naphthalen-1-yl]-2-pyridinyl]acetamide;1-(5-tert-butyl-2-methoxyphenyl)-3-[4-[6-(piperidin-1-ylmethyl)-3-pyridinyl]naphthalen-1-yl]urea;N-[5-tert-butyl-2-methoxy-3-[[4-[6-(piperidin-1-ylmethyl)-3-pyridinyl]naphthalen-1-yl]carbamoylamino]phenyl]propanamide;1-[3-tert-butyl-1-(4-methylphenyl)pyrazol-5-yl]-3-[4-[6-(piperidin-1-ylmethyl)-3-pyridinyl]naphthalen-1-yl]urea |
| SMILES | CCC(=O)Nc1cc(C(C)(C)C)cc(NC(=O)Nc2ccc(-c3ccc(CN4CCCCC4)nc3)c3ccccc23)c1OC.COc1c(NC(=O)Nc2ccc(-c3ccc(CN4CCCCC4)nc3)c3ccccc23)cc(C(C)(C)C)cc1NS(C)(=O)=O.COc1ccc(C(C)(C)C)cc1NC(=O)Nc1ccc(-c2ccc(CN3CCCCC3)nc2)c2ccccc12.COc1ccc(C(C)(C)C)cc1NC(=O)Nc1ccc(-c2ccc(NC(C)=O)nc2)c2ccccc12.Cc1ccc(-n2nc(C(C)(C)C)cc2NC(=O)Nc2ccc(-c3ccc(CN4CCCCC4)nc3)c3ccccc23)cc1 |
| InChI | InChI=1S/C36H40N6O.C36H43N5O3.C34H41N5O4S.C33H38N4O2.C29H30N4O3/c1-25-12-16-28(17-13-25)42-34(22-33(40-42)36(2,3)4)39-35(43)38-32-19-18-29(30-10-6-7-11-31(30)32)26-14-15-27(37-23-26)24-41-20-8-5-9-21-41;1-6-33(42)38-31-20-25(36(2,3)4)21-32(34(31)44-5)40-35(43)39-30-17-16-27(28-12-8-9-13-29(28)30)24-14-15-26(37-22-24)23-41-18-10-7-11-19-41;1-34(2,3)24-19-30(32(43-4)31(20-24)38-44(5,41)42)37-33(40)36-29-16-15-26(27-11-7-8-12-28(27)29)23-13-14-25(35-21-23)22-39-17-9-6-10-18-39;1-33(2,3)24-13-17-31(39-4)30(20-24)36-32(38)35-29-16-15-26(27-10-6-7-11-28(27)29)23-12-14-25(34-21-23)22-37-18-8-5-9-19-37;1-18(34)31-27-15-10-19(17-30-27)21-12-13-24(23-9-7-6-8-22(21)23)32-28(35)33-25-16-20(29(2,3)4)11-14-26(25)36-5/h6-7,10-19,22-23H,5,8-9,20-21,24H2,1-4H3,(H2,38,39,43);8-9,12-17,20-22H,6-7,10-11,18-19,23H2,1-5H3,(H,38,42)(H2,39,40,43);7-8,11-16,19-21,38H,6,9-10,17-18,22H2,1-5H3,(H2,36,37,40);6-7,10-17,20-21H,5,8-9,18-19,22H2,1-4H3,(H2,35,36,38);6-17H,1-5H3,(H,30,31,34)(H2,32,33,35) |
| InChIKey | KDJBAPLZZNZXMA-UHFFFAOYSA-N |
| XLogP | 38.37 |
| TPSA | 442.17 Ų |
| H-Bond Donors | 13 |
| H-Bond Acceptors | 24 |
| Rotatable Bonds | 33 |
| Heavy Atoms | 206 |
| Complexity | — |
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2787.61 |
| LogP ≤ 5 | 38.37 |
| H-Bond Donors ≤ 5 | 13 |
| H-Bond Acceptors ≤ 10 | 24 |