C169H166F13N29O25S — CID 159284294
N-[3-[2-[(3-aminooxetan-3-yl)methoxy]-6-morpholin-4-yl-4-pyridinyl]-4-methylphenyl]-2-(trifluoromethyl)pyridine-4-carboxamide;2-(2-cyanopropan-2-yl)-N-[5-(2-morpholin-4-yl-4-pyridinyl)-4-oxocyclohexa-1,5-dien-1-yl]pyridine-4-carboxamide;2-(1,1-difluoroethyl)-N-[5-(2-morpholin-4-yl-4-pyridinyl)-4-oxocyclohexa-1,5-dien-1-yl]pyridine-4-carboxamide;2-(difluoromethyl)-N-[5-(2-morpholin-4-yl-4-pyridinyl)-4-oxocyclohexa-1,5-dien-1-yl]pyridine-4-carboxamide;N-[3-[6-[(2R)-2-hydroxypropoxy]-5-morpholin-4-yl-3-pyridinyl]-4-methylphenyl]-2-methylsulfonylpyridine-4-carboxamide;2-methyl-1-(2-morpholin-4-yl-4-pyridinyl)-5-[2-[3-(trifluoromethyl)phenyl]acetyl]pyridin-4-one;N-[5-(2-morpholin-4-yl-4-pyridinyl)-4-oxocyclohexa-1,5-dien-1-yl]-2-(trifluoromethyl)pyridine-4-carboxamide (PubChem CID 159284294) has the molecular formula C169H166F13N29O25S and a molecular weight of 3282.41 g/mol. Its IUPAC name is N-[3-[2-[(3-aminooxetan-3-yl)methoxy]-6-morpholin-4-yl-4-pyridinyl]-4-methylphenyl]-2-(trifluoromethyl)pyridine-4-carboxamide;2-(2-cyanopropan-2-yl)-N-[5-(2-morpholin-4-yl-4-pyridinyl)-4-oxocyclohexa-1,5-dien-1-yl]pyridine-4-carboxamide;2-(1,1-difluoroethyl)-N-[5-(2-morpholin-4-yl-4-pyridinyl)-4-oxocyclohexa-1,5-dien-1-yl]pyridine-4-carboxamide;2-(difluoromethyl)-N-[5-(2-morpholin-4-yl-4-pyridinyl)-4-oxocyclohexa-1,5-dien-1-yl]pyridine-4-carboxamide;N-[3-[6-[(2R)-2-hydroxypropoxy]-5-morpholin-4-yl-3-pyridinyl]-4-methylphenyl]-2-methylsulfonylpyridine-4-carboxamide;2-methyl-1-(2-morpholin-4-yl-4-pyridinyl)-5-[2-[3-(trifluoromethyl)phenyl]acetyl]pyridin-4-one;N-[5-(2-morpholin-4-yl-4-pyridinyl)-4-oxocyclohexa-1,5-dien-1-yl]-2-(trifluoromethyl)pyridine-4-carboxamide.
| Compound Name | N-[3-[2-[(3-aminooxetan-3-yl)methoxy]-6-morpholin-4-yl-4-pyridinyl]-4-methylphenyl]-2-(trifluoromethyl)pyridine-4-carboxamide;2-(2-cyanopropan-2-yl)-N-[5-(2-morpholin-4-yl-4-pyridinyl)-4-oxocyclohexa-1,5-dien-1-yl]pyridine-4-carboxamide;2-(1,1-difluoroethyl)-N-[5-(2-morpholin-4-yl-4-pyridinyl)-4-oxocyclohexa-1,5-dien-1-yl]pyridine-4-carboxamide;2-(difluoromethyl)-N-[5-(2-morpholin-4-yl-4-pyridinyl)-4-oxocyclohexa-1,5-dien-1-yl]pyridine-4-carboxamide;N-[3-[6-[(2R)-2-hydroxypropoxy]-5-morpholin-4-yl-3-pyridinyl]-4-methylphenyl]-2-methylsulfonylpyridine-4-carboxamide;2-methyl-1-(2-morpholin-4-yl-4-pyridinyl)-5-[2-[3-(trifluoromethyl)phenyl]acetyl]pyridin-4-one;N-[5-(2-morpholin-4-yl-4-pyridinyl)-4-oxocyclohexa-1,5-dien-1-yl]-2-(trifluoromethyl)pyridine-4-carboxamide |
|---|---|
| PubChem CID | 159284294 |
| Molecular Formula | C169H166F13N29O25S |
| Molecular Weight | 3282.41 g/mol |
| Exact Mass | 3280.21 |
| IUPAC Name | N-[3-[2-[(3-aminooxetan-3-yl)methoxy]-6-morpholin-4-yl-4-pyridinyl]-4-methylphenyl]-2-(trifluoromethyl)pyridine-4-carboxamide;2-(2-cyanopropan-2-yl)-N-[5-(2-morpholin-4-yl-4-pyridinyl)-4-oxocyclohexa-1,5-dien-1-yl]pyridine-4-carboxamide;2-(1,1-difluoroethyl)-N-[5-(2-morpholin-4-yl-4-pyridinyl)-4-oxocyclohexa-1,5-dien-1-yl]pyridine-4-carboxamide;2-(difluoromethyl)-N-[5-(2-morpholin-4-yl-4-pyridinyl)-4-oxocyclohexa-1,5-dien-1-yl]pyridine-4-carboxamide;N-[3-[6-[(2R)-2-hydroxypropoxy]-5-morpholin-4-yl-3-pyridinyl]-4-methylphenyl]-2-methylsulfonylpyridine-4-carboxamide;2-methyl-1-(2-morpholin-4-yl-4-pyridinyl)-5-[2-[3-(trifluoromethyl)phenyl]acetyl]pyridin-4-one;N-[5-(2-morpholin-4-yl-4-pyridinyl)-4-oxocyclohexa-1,5-dien-1-yl]-2-(trifluoromethyl)pyridine-4-carboxamide |
| SMILES | CC(C)(C#N)c1cc(C(=O)NC2=CCC(=O)C(c3ccnc(N4CCOCC4)c3)=C2)ccn1.CC(F)(F)c1cc(C(=O)NC2=CCC(=O)C(c3ccnc(N4CCOCC4)c3)=C2)ccn1.Cc1cc(=O)c(C(=O)Cc2cccc(C(F)(F)F)c2)cn1-c1ccnc(N2CCOCC2)c1.Cc1ccc(NC(=O)c2ccnc(C(F)(F)F)c2)cc1-c1cc(OCC2(N)COC2)nc(N2CCOCC2)c1.Cc1ccc(NC(=O)c2ccnc(S(C)(=O)=O)c2)cc1-c1cnc(OC[C@@H](C)O)c(N2CCOCC2)c1.O=C1CC=C(NC(=O)c2ccnc(C(F)(F)F)c2)C=C1c1ccnc(N2CCOCC2)c1.O=C1CC=C(NC(=O)c2ccnc(C(F)F)c2)C=C1c1ccnc(N2CCOCC2)c1 |
| InChI | InChI=1S/C27H28F3N5O4.C26H30N4O6S.C25H25N5O3.C24H22F3N3O3.C23H22F2N4O3.C22H19F3N4O3.C22H20F2N4O3/c1-17-2-3-20(33-25(36)18-4-5-32-22(10-18)27(28,29)30)13-21(17)19-11-23(35-6-8-37-9-7-35)34-24(12-19)39-16-26(31)14-38-15-26;1-17-4-5-21(29-25(32)19-6-7-27-24(13-19)37(3,33)34)14-22(17)20-12-23(30-8-10-35-11-9-30)26(28-15-20)36-16-18(2)31;1-25(2,16-26)22-13-18(6-7-27-22)24(32)29-19-3-4-21(31)20(15-19)17-5-8-28-23(14-17)30-9-11-33-12-10-30;1-16-11-21(31)20(22(32)13-17-3-2-4-18(12-17)24(25,26)27)15-30(16)19-5-6-28-23(14-19)29-7-9-33-10-8-29;1-23(24,25)20-12-16(5-6-26-20)22(31)28-17-2-3-19(30)18(14-17)15-4-7-27-21(13-15)29-8-10-32-11-9-29;23-22(24,25)19-11-15(4-5-26-19)21(31)28-16-1-2-18(30)17(13-16)14-3-6-27-20(12-14)29-7-9-32-10-8-29;23-21(24)18-11-15(4-5-25-18)22(30)27-16-1-2-19(29)17(13-16)14-3-6-26-20(12-14)28-7-9-31-10-8-28/h2-5,10-13H,6-9,14-16,31H2,1H3,(H,33,36);4-7,12-15,18,31H,8-11,16H2,1-3H3,(H,29,32);3,5-8,13-15H,4,9-12H2,1-2H3,(H,29,32);2-6,11-12,14-15H,7-10,13H2,1H3;2,4-7,12-14H,3,8-11H2,1H3,(H,28,31);1,3-6,11-13H,2,7-10H2,(H,28,31);1,3-6,11-13,21H,2,7-10H2,(H,27,30)/t;18-;;;;;/m.1...../s1 |
| InChIKey | KZHTZCNOJVOUIL-ODUZCCQZSA-N |
| XLogP | 21.99 |
| TPSA | 668.68 Ų |
| H-Bond Donors | 8 |
| H-Bond Acceptors | 48 |
| Rotatable Bonds | 39 |
| Heavy Atoms | 237 |
| Complexity | — |
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 3282.41 |
| LogP ≤ 5 | 21.99 |
| H-Bond Donors ≤ 5 | 8 |
| H-Bond Acceptors ≤ 10 | 48 |