C144H185N43O14S — CID 159640993
[1-[4-[(2-methyl-4-phenylphenyl)methyl]piperazine-1-carbonyl]pyrazol-4-yl]-piperidin-1-ylmethanone;piperidin-1-yl-[1-[4-(pyridin-2-ylmethyl)piperazine-1-carbonyl]pyrazol-4-yl]methanone;piperidin-1-yl-[1-[4-(pyridin-3-ylmethyl)piperazine-1-carbonyl]pyrazol-4-yl]methanone;piperidin-1-yl-[1-[4-(pyridin-4-ylmethyl)piperazine-1-carbonyl]pyrazol-4-yl]methanone;piperidin-1-yl-[1-[4-(pyrimidin-4-ylmethyl)piperazine-1-carbonyl]pyrazol-4-yl]methanone;piperidin-1-yl-[1-[4-(pyrimidin-5-ylmethyl)piperazine-1-carbonyl]pyrazol-4-yl]methanone;piperidin-1-yl-[1-[4-(1,3-thiazol-2-ylmethyl)piperazine-1-carbonyl]pyrazol-4-yl]methanone (PubChem CID 159640993) has the molecular formula C144H185N43O14S and a molecular weight of 2774.42 g/mol. Its IUPAC name is [1-[4-[(2-methyl-4-phenylphenyl)methyl]piperazine-1-carbonyl]pyrazol-4-yl]-piperidin-1-ylmethanone;piperidin-1-yl-[1-[4-(pyridin-2-ylmethyl)piperazine-1-carbonyl]pyrazol-4-yl]methanone;piperidin-1-yl-[1-[4-(pyridin-3-ylmethyl)piperazine-1-carbonyl]pyrazol-4-yl]methanone;piperidin-1-yl-[1-[4-(pyridin-4-ylmethyl)piperazine-1-carbonyl]pyrazol-4-yl]methanone;piperidin-1-yl-[1-[4-(pyrimidin-4-ylmethyl)piperazine-1-carbonyl]pyrazol-4-yl]methanone;piperidin-1-yl-[1-[4-(pyrimidin-5-ylmethyl)piperazine-1-carbonyl]pyrazol-4-yl]methanone;piperidin-1-yl-[1-[4-(1,3-thiazol-2-ylmethyl)piperazine-1-carbonyl]pyrazol-4-yl]methanone.
| Compound Name | [1-[4-[(2-methyl-4-phenylphenyl)methyl]piperazine-1-carbonyl]pyrazol-4-yl]-piperidin-1-ylmethanone;piperidin-1-yl-[1-[4-(pyridin-2-ylmethyl)piperazine-1-carbonyl]pyrazol-4-yl]methanone;piperidin-1-yl-[1-[4-(pyridin-3-ylmethyl)piperazine-1-carbonyl]pyrazol-4-yl]methanone;piperidin-1-yl-[1-[4-(pyridin-4-ylmethyl)piperazine-1-carbonyl]pyrazol-4-yl]methanone;piperidin-1-yl-[1-[4-(pyrimidin-4-ylmethyl)piperazine-1-carbonyl]pyrazol-4-yl]methanone;piperidin-1-yl-[1-[4-(pyrimidin-5-ylmethyl)piperazine-1-carbonyl]pyrazol-4-yl]methanone;piperidin-1-yl-[1-[4-(1,3-thiazol-2-ylmethyl)piperazine-1-carbonyl]pyrazol-4-yl]methanone |
|---|---|
| PubChem CID | 159640993 |
| Molecular Formula | C144H185N43O14S |
| Molecular Weight | 2774.42 g/mol |
| Exact Mass | 2772.48 |
| IUPAC Name | [1-[4-[(2-methyl-4-phenylphenyl)methyl]piperazine-1-carbonyl]pyrazol-4-yl]-piperidin-1-ylmethanone;piperidin-1-yl-[1-[4-(pyridin-2-ylmethyl)piperazine-1-carbonyl]pyrazol-4-yl]methanone;piperidin-1-yl-[1-[4-(pyridin-3-ylmethyl)piperazine-1-carbonyl]pyrazol-4-yl]methanone;piperidin-1-yl-[1-[4-(pyridin-4-ylmethyl)piperazine-1-carbonyl]pyrazol-4-yl]methanone;piperidin-1-yl-[1-[4-(pyrimidin-4-ylmethyl)piperazine-1-carbonyl]pyrazol-4-yl]methanone;piperidin-1-yl-[1-[4-(pyrimidin-5-ylmethyl)piperazine-1-carbonyl]pyrazol-4-yl]methanone;piperidin-1-yl-[1-[4-(1,3-thiazol-2-ylmethyl)piperazine-1-carbonyl]pyrazol-4-yl]methanone |
| SMILES | Cc1cc(-c2ccccc2)ccc1CN1CCN(C(=O)n2cc(C(=O)N3CCCCC3)cn2)CC1.O=C(c1cnn(C(=O)N2CCN(Cc3ccccn3)CC2)c1)N1CCCCC1.O=C(c1cnn(C(=O)N2CCN(Cc3cccnc3)CC2)c1)N1CCCCC1.O=C(c1cnn(C(=O)N2CCN(Cc3ccncc3)CC2)c1)N1CCCCC1.O=C(c1cnn(C(=O)N2CCN(Cc3ccncn3)CC2)c1)N1CCCCC1.O=C(c1cnn(C(=O)N2CCN(Cc3cncnc3)CC2)c1)N1CCCCC1.O=C(c1cnn(C(=O)N2CCN(Cc3nccs3)CC2)c1)N1CCCCC1 |
| InChI | InChI=1S/C28H33N5O2.3C20H26N6O2.2C19H25N7O2.C18H24N6O2S/c1-22-18-24(23-8-4-2-5-9-23)10-11-25(22)20-30-14-16-32(17-15-30)28(35)33-21-26(19-29-33)27(34)31-12-6-3-7-13-31;27-19(24-8-4-1-5-9-24)17-14-22-26(15-17)20(28)25-12-10-23(11-13-25)16-18-6-2-3-7-21-18;27-19(24-8-2-1-3-9-24)18-14-22-26(16-18)20(28)25-12-10-23(11-13-25)15-17-4-6-21-7-5-17;27-19(24-7-2-1-3-8-24)18-14-22-26(16-18)20(28)25-11-9-23(10-12-25)15-17-5-4-6-21-13-17;27-18(24-6-2-1-3-7-24)16-12-22-26(13-16)19(28)25-10-8-23(9-11-25)14-17-4-5-20-15-21-17;27-18(24-4-2-1-3-5-24)17-12-22-26(14-17)19(28)25-8-6-23(7-9-25)13-16-10-20-15-21-11-16;25-17(22-5-2-1-3-6-22)15-12-20-24(13-15)18(26)23-9-7-21(8-10-23)14-16-19-4-11-27-16/h2,4-5,8-11,18-19,21H,3,6-7,12-17,20H2,1H3;2-3,6-7,14-15H,1,4-5,8-13,16H2;4-7,14,16H,1-3,8-13,15H2;4-6,13-14,16H,1-3,7-12,15H2;4-5,12-13,15H,1-3,6-11,14H2;10-12,14-15H,1-9,13H2;4,11-13H,1-3,5-10,14H2 |
| InChIKey | MQITVWIFQFDQSQ-UHFFFAOYSA-N |
| XLogP | 13.26 |
| TPSA | 534.88 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 44 |
| Rotatable Bonds | 22 |
| Heavy Atoms | 202 |
| Complexity | — |
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2774.42 |
| LogP ≤ 5 | 13.26 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 44 |