C186H203F3N14O15 — CID 159190482
4-cyclopentyl-1-[3-[2-cyclopropyl-4-(pyridin-2-ylmethoxy)anilino]phenyl]butan-1-one;4-cyclopentyl-1-[3-[2-methyl-4-(1-pyridin-2-ylethoxy)anilino]phenyl]butan-1-one;3-cyclopentyl-1-[3-[4-(pyridin-2-ylmethoxy)anilino]phenyl]propan-1-one;1-[3-[2-cyclopropyl-4-(pyridin-2-ylmethoxy)anilino]phenyl]-5-methylhexan-1-one;3-(3-methyloxetan-3-yl)-1-[3-[4-(pyridin-2-ylmethoxy)anilino]phenyl]propan-1-one;3-methyl-1-[3-[4-(pyridin-2-ylmethoxy)anilino]phenyl]hexan-1-one;5,5,5-trifluoro-1-[3-[4-(pyridin-2-ylmethoxy)anilino]phenyl]pentan-1-one (PubChem CID 159190482) has the molecular formula C186H203F3N14O15 and a molecular weight of 2931.75 g/mol. Its IUPAC name is 4-cyclopentyl-1-[3-[2-cyclopropyl-4-(pyridin-2-ylmethoxy)anilino]phenyl]butan-1-one;4-cyclopentyl-1-[3-[2-methyl-4-(1-pyridin-2-ylethoxy)anilino]phenyl]butan-1-one;3-cyclopentyl-1-[3-[4-(pyridin-2-ylmethoxy)anilino]phenyl]propan-1-one;1-[3-[2-cyclopropyl-4-(pyridin-2-ylmethoxy)anilino]phenyl]-5-methylhexan-1-one;3-(3-methyloxetan-3-yl)-1-[3-[4-(pyridin-2-ylmethoxy)anilino]phenyl]propan-1-one;3-methyl-1-[3-[4-(pyridin-2-ylmethoxy)anilino]phenyl]hexan-1-one;5,5,5-trifluoro-1-[3-[4-(pyridin-2-ylmethoxy)anilino]phenyl]pentan-1-one.
| Compound Name | 4-cyclopentyl-1-[3-[2-cyclopropyl-4-(pyridin-2-ylmethoxy)anilino]phenyl]butan-1-one;4-cyclopentyl-1-[3-[2-methyl-4-(1-pyridin-2-ylethoxy)anilino]phenyl]butan-1-one;3-cyclopentyl-1-[3-[4-(pyridin-2-ylmethoxy)anilino]phenyl]propan-1-one;1-[3-[2-cyclopropyl-4-(pyridin-2-ylmethoxy)anilino]phenyl]-5-methylhexan-1-one;3-(3-methyloxetan-3-yl)-1-[3-[4-(pyridin-2-ylmethoxy)anilino]phenyl]propan-1-one;3-methyl-1-[3-[4-(pyridin-2-ylmethoxy)anilino]phenyl]hexan-1-one;5,5,5-trifluoro-1-[3-[4-(pyridin-2-ylmethoxy)anilino]phenyl]pentan-1-one |
|---|---|
| PubChem CID | 159190482 |
| Molecular Formula | C186H203F3N14O15 |
| Molecular Weight | 2931.75 g/mol |
| Exact Mass | 2929.55 |
| IUPAC Name | 4-cyclopentyl-1-[3-[2-cyclopropyl-4-(pyridin-2-ylmethoxy)anilino]phenyl]butan-1-one;4-cyclopentyl-1-[3-[2-methyl-4-(1-pyridin-2-ylethoxy)anilino]phenyl]butan-1-one;3-cyclopentyl-1-[3-[4-(pyridin-2-ylmethoxy)anilino]phenyl]propan-1-one;1-[3-[2-cyclopropyl-4-(pyridin-2-ylmethoxy)anilino]phenyl]-5-methylhexan-1-one;3-(3-methyloxetan-3-yl)-1-[3-[4-(pyridin-2-ylmethoxy)anilino]phenyl]propan-1-one;3-methyl-1-[3-[4-(pyridin-2-ylmethoxy)anilino]phenyl]hexan-1-one;5,5,5-trifluoro-1-[3-[4-(pyridin-2-ylmethoxy)anilino]phenyl]pentan-1-one |
| SMILES | CC(C)CCCC(=O)c1cccc(Nc2ccc(OCc3ccccn3)cc2C2CC2)c1.CC1(CCC(=O)c2cccc(Nc3ccc(OCc4ccccn4)cc3)c2)COC1.CCCC(C)CC(=O)c1cccc(Nc2ccc(OCc3ccccn3)cc2)c1.Cc1cc(OC(C)c2ccccn2)ccc1Nc1cccc(C(=O)CCCC2CCCC2)c1.O=C(CCC1CCCC1)c1cccc(Nc2ccc(OCc3ccccn3)cc2)c1.O=C(CCCC(F)(F)F)c1cccc(Nc2ccc(OCc3ccccn3)cc2)c1.O=C(CCCC1CCCC1)c1cccc(Nc2ccc(OCc3ccccn3)cc2C2CC2)c1 |
| InChI | InChI=1S/C30H34N2O2.C29H34N2O2.C28H32N2O2.C26H28N2O2.C25H26N2O3.C25H28N2O2.C23H21F3N2O2/c33-30(13-5-9-22-7-1-2-8-22)24-10-6-12-25(19-24)32-29-17-16-27(20-28(29)23-14-15-23)34-21-26-11-3-4-18-31-26;1-21-19-26(33-22(2)28-14-5-6-18-30-28)16-17-27(21)31-25-13-8-12-24(20-25)29(32)15-7-11-23-9-3-4-10-23;1-20(2)7-5-11-28(31)22-8-6-10-23(17-22)30-27-15-14-25(18-26(27)21-12-13-21)32-19-24-9-3-4-16-29-24;29-26(16-11-20-6-1-2-7-20)21-8-5-10-23(18-21)28-22-12-14-25(15-13-22)30-19-24-9-3-4-17-27-24;1-25(17-29-18-25)13-12-24(28)19-5-4-7-21(15-19)27-20-8-10-23(11-9-20)30-16-22-6-2-3-14-26-22;1-3-7-19(2)16-25(28)20-8-6-10-22(17-20)27-21-11-13-24(14-12-21)29-18-23-9-4-5-15-26-23;24-23(25,26)13-4-8-22(29)17-5-3-7-19(15-17)28-18-9-11-21(12-10-18)30-16-20-6-1-2-14-27-20/h3-4,6,10-12,16-20,22-23,32H,1-2,5,7-9,13-15,21H2;5-6,8,12-14,16-20,22-23,31H,3-4,7,9-11,15H2,1-2H3;3-4,6,8-10,14-18,20-21,30H,5,7,11-13,19H2,1-2H3;3-5,8-10,12-15,17-18,20,28H,1-2,6-7,11,16,19H2;2-11,14-15,27H,12-13,16-18H2,1H3;4-6,8-15,17,19,27H,3,7,16,18H2,1-2H3;1-3,5-7,9-12,14-15,28H,4,8,13,16H2 |
| InChIKey | KOAGIEQFUMOQKD-UHFFFAOYSA-N |
| XLogP | 47.63 |
| TPSA | 367.77 Ų |
| H-Bond Donors | 7 |
| H-Bond Acceptors | 29 |
| Rotatable Bonds | 69 |
| Heavy Atoms | 218 |
| Complexity | — |
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2931.75 |
| LogP ≤ 5 | 47.63 |
| H-Bond Donors ≤ 5 | 7 |
| H-Bond Acceptors ≤ 10 | 29 |