C114H135F8N23O5 — CID 157420647
(2-amino-3-pyridinyl)-[3-(2,2-difluoroethyl)-6-[(3S)-3-(2-methylpropyl)piperidin-1-yl]-2-pyridinyl]methanone;(2-amino-3-pyridinyl)-[6-[3-(3-methylphenyl)piperidin-1-yl]-3-(trifluoromethyl)-2-pyridinyl]methanone;(2-amino-3-pyridinyl)-[6-[(3S)-3-(2-methylpropyl)piperazin-1-yl]-3-[(Z)-prop-1-enyl]-2-pyridinyl]methanone;(2-amino-3-pyridinyl)-[6-[(3S)-3-(2-methylpropyl)piperazin-1-yl]-3-propyl-2-pyridinyl]methanone;3-[1-[6-[3-(3-methoxyphenyl)piperazin-1-yl]-3-(trifluoromethyl)-2-pyridinyl]ethenyl]pyridin-2-amine (PubChem CID 157420647) has the molecular formula C114H135F8N23O5 and a molecular weight of 2059.47 g/mol. Its IUPAC name is (2-amino-3-pyridinyl)-[3-(2,2-difluoroethyl)-6-[(3S)-3-(2-methylpropyl)piperidin-1-yl]-2-pyridinyl]methanone;(2-amino-3-pyridinyl)-[6-[3-(3-methylphenyl)piperidin-1-yl]-3-(trifluoromethyl)-2-pyridinyl]methanone;(2-amino-3-pyridinyl)-[6-[(3S)-3-(2-methylpropyl)piperazin-1-yl]-3-[(Z)-prop-1-enyl]-2-pyridinyl]methanone;(2-amino-3-pyridinyl)-[6-[(3S)-3-(2-methylpropyl)piperazin-1-yl]-3-propyl-2-pyridinyl]methanone;3-[1-[6-[3-(3-methoxyphenyl)piperazin-1-yl]-3-(trifluoromethyl)-2-pyridinyl]ethenyl]pyridin-2-amine.
| Compound Name | (2-amino-3-pyridinyl)-[3-(2,2-difluoroethyl)-6-[(3S)-3-(2-methylpropyl)piperidin-1-yl]-2-pyridinyl]methanone;(2-amino-3-pyridinyl)-[6-[3-(3-methylphenyl)piperidin-1-yl]-3-(trifluoromethyl)-2-pyridinyl]methanone;(2-amino-3-pyridinyl)-[6-[(3S)-3-(2-methylpropyl)piperazin-1-yl]-3-[(Z)-prop-1-enyl]-2-pyridinyl]methanone;(2-amino-3-pyridinyl)-[6-[(3S)-3-(2-methylpropyl)piperazin-1-yl]-3-propyl-2-pyridinyl]methanone;3-[1-[6-[3-(3-methoxyphenyl)piperazin-1-yl]-3-(trifluoromethyl)-2-pyridinyl]ethenyl]pyridin-2-amine |
|---|---|
| PubChem CID | 157420647 |
| Molecular Formula | C114H135F8N23O5 |
| Molecular Weight | 2059.47 g/mol |
| Exact Mass | 2058.09 |
| IUPAC Name | (2-amino-3-pyridinyl)-[3-(2,2-difluoroethyl)-6-[(3S)-3-(2-methylpropyl)piperidin-1-yl]-2-pyridinyl]methanone;(2-amino-3-pyridinyl)-[6-[3-(3-methylphenyl)piperidin-1-yl]-3-(trifluoromethyl)-2-pyridinyl]methanone;(2-amino-3-pyridinyl)-[6-[(3S)-3-(2-methylpropyl)piperazin-1-yl]-3-[(Z)-prop-1-enyl]-2-pyridinyl]methanone;(2-amino-3-pyridinyl)-[6-[(3S)-3-(2-methylpropyl)piperazin-1-yl]-3-propyl-2-pyridinyl]methanone;3-[1-[6-[3-(3-methoxyphenyl)piperazin-1-yl]-3-(trifluoromethyl)-2-pyridinyl]ethenyl]pyridin-2-amine |
| SMILES | C/C=C\c1ccc(N2CCN[C@@H](CC(C)C)C2)nc1C(=O)c1cccnc1N.C=C(c1cccnc1N)c1nc(N2CCNC(c3cccc(OC)c3)C2)ccc1C(F)(F)F.CC(C)C[C@@H]1CCCN(c2ccc(CC(F)F)c(C(=O)c3cccnc3N)n2)C1.CCCc1ccc(N2CCN[C@@H](CC(C)C)C2)nc1C(=O)c1cccnc1N.Cc1cccc(C2CCCN(c3ccc(C(F)(F)F)c(C(=O)c4cccnc4N)n3)C2)c1 |
| InChI | InChI=1S/C24H24F3N5O.C24H23F3N4O.C22H28F2N4O.C22H31N5O.C22H29N5O/c1-15(18-7-4-10-30-23(18)28)22-19(24(25,26)27)8-9-21(31-22)32-12-11-29-20(14-32)16-5-3-6-17(13-16)33-2;1-15-5-2-6-16(13-15)17-7-4-12-31(14-17)20-10-9-19(24(25,26)27)21(30-20)22(32)18-8-3-11-29-23(18)28;1-14(2)11-15-5-4-10-28(13-15)19-8-7-16(12-18(23)24)20(27-19)21(29)17-6-3-9-26-22(17)25;2*1-4-6-16-8-9-19(27-12-11-24-17(14-27)13-15(2)3)26-20(16)21(28)18-7-5-10-25-22(18)23/h3-10,13,20,29H,1,11-12,14H2,2H3,(H2,28,30);2-3,5-6,8-11,13,17H,4,7,12,14H2,1H3,(H2,28,29);3,6-9,14-15,18H,4-5,10-13H2,1-2H3,(H2,25,26);5,7-10,15,17,24H,4,6,11-14H2,1-3H3,(H2,23,25);4-10,15,17,24H,11-14H2,1-3H3,(H2,23,25)/b;;;;6-4-/t;;15-;2*17-/m..000/s1 |
| InChIKey | BPJAWODAVCQADH-PXAIONQWSA-N |
| XLogP | 19.87 |
| TPSA | 388.80 Ų |
| H-Bond Donors | 8 |
| H-Bond Acceptors | 28 |
| Rotatable Bonds | 29 |
| Heavy Atoms | 150 |
| Complexity | — |
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2059.47 |
| LogP ≤ 5 | 19.87 |
| H-Bond Donors ≤ 5 | 8 |
| H-Bond Acceptors ≤ 10 | 28 |