C150H129ClF23N35O19S3 — CID 157411728
N-[3-chloro-4-(trifluoromethoxy)phenyl]-6-[(3R)-3-hydroxypyrrolidin-1-yl]-5-pyrimidin-5-ylpyridine-3-carboxamide;N-[4-(1,1-difluoroethoxy)phenyl]-6-[(3R)-3-hydroxypyrrolidin-1-yl]-5-pyrimidin-5-ylpyridine-3-carboxamide;N-[4-(difluoromethylsulfanyl)phenyl]-6-[(3R)-3-hydroxypyrrolidin-1-yl]-5-pyrimidin-5-ylpyridine-3-carboxamide;N-[3-fluoro-4-(trifluoromethoxy)phenyl]-6-[(3S)-3-(hydroxymethyl)pyrrolidin-1-yl]-5-pyrimidin-5-ylpyridine-3-carboxamide;N-[3-fluoro-4-(trifluoromethylsulfanyl)phenyl]-6-[(3R)-3-hydroxypyrrolidin-1-yl]-5-pyrimidin-5-ylpyridine-3-carboxamide;6-[(3R)-3-hydroxypyrrolidin-1-yl]-N-[4-(1,1,2,2,2-pentafluoroethyl)phenyl]-5-pyrimidin-5-ylpyridine-3-carboxamide;6-[(3R)-3-hydroxypyrrolidin-1-yl]-5-pyrimidin-5-yl-N-[4-(trifluoromethylsulfonyl)phenyl]pyridine-3-carboxamide (PubChem CID 157411728) has the molecular formula C150H129ClF23N35O19S3 and a molecular weight of 3294.52 g/mol. Its IUPAC name is N-[3-chloro-4-(trifluoromethoxy)phenyl]-6-[(3R)-3-hydroxypyrrolidin-1-yl]-5-pyrimidin-5-ylpyridine-3-carboxamide;N-[4-(1,1-difluoroethoxy)phenyl]-6-[(3R)-3-hydroxypyrrolidin-1-yl]-5-pyrimidin-5-ylpyridine-3-carboxamide;N-[4-(difluoromethylsulfanyl)phenyl]-6-[(3R)-3-hydroxypyrrolidin-1-yl]-5-pyrimidin-5-ylpyridine-3-carboxamide;N-[3-fluoro-4-(trifluoromethoxy)phenyl]-6-[(3S)-3-(hydroxymethyl)pyrrolidin-1-yl]-5-pyrimidin-5-ylpyridine-3-carboxamide;N-[3-fluoro-4-(trifluoromethylsulfanyl)phenyl]-6-[(3R)-3-hydroxypyrrolidin-1-yl]-5-pyrimidin-5-ylpyridine-3-carboxamide;6-[(3R)-3-hydroxypyrrolidin-1-yl]-N-[4-(1,1,2,2,2-pentafluoroethyl)phenyl]-5-pyrimidin-5-ylpyridine-3-carboxamide;6-[(3R)-3-hydroxypyrrolidin-1-yl]-5-pyrimidin-5-yl-N-[4-(trifluoromethylsulfonyl)phenyl]pyridine-3-carboxamide.
| Compound Name | N-[3-chloro-4-(trifluoromethoxy)phenyl]-6-[(3R)-3-hydroxypyrrolidin-1-yl]-5-pyrimidin-5-ylpyridine-3-carboxamide;N-[4-(1,1-difluoroethoxy)phenyl]-6-[(3R)-3-hydroxypyrrolidin-1-yl]-5-pyrimidin-5-ylpyridine-3-carboxamide;N-[4-(difluoromethylsulfanyl)phenyl]-6-[(3R)-3-hydroxypyrrolidin-1-yl]-5-pyrimidin-5-ylpyridine-3-carboxamide;N-[3-fluoro-4-(trifluoromethoxy)phenyl]-6-[(3S)-3-(hydroxymethyl)pyrrolidin-1-yl]-5-pyrimidin-5-ylpyridine-3-carboxamide;N-[3-fluoro-4-(trifluoromethylsulfanyl)phenyl]-6-[(3R)-3-hydroxypyrrolidin-1-yl]-5-pyrimidin-5-ylpyridine-3-carboxamide;6-[(3R)-3-hydroxypyrrolidin-1-yl]-N-[4-(1,1,2,2,2-pentafluoroethyl)phenyl]-5-pyrimidin-5-ylpyridine-3-carboxamide;6-[(3R)-3-hydroxypyrrolidin-1-yl]-5-pyrimidin-5-yl-N-[4-(trifluoromethylsulfonyl)phenyl]pyridine-3-carboxamide |
|---|---|
| PubChem CID | 157411728 |
| Molecular Formula | C150H129ClF23N35O19S3 |
| Molecular Weight | 3294.52 g/mol |
| Exact Mass | 3291.87 |
| IUPAC Name | N-[3-chloro-4-(trifluoromethoxy)phenyl]-6-[(3R)-3-hydroxypyrrolidin-1-yl]-5-pyrimidin-5-ylpyridine-3-carboxamide;N-[4-(1,1-difluoroethoxy)phenyl]-6-[(3R)-3-hydroxypyrrolidin-1-yl]-5-pyrimidin-5-ylpyridine-3-carboxamide;N-[4-(difluoromethylsulfanyl)phenyl]-6-[(3R)-3-hydroxypyrrolidin-1-yl]-5-pyrimidin-5-ylpyridine-3-carboxamide;N-[3-fluoro-4-(trifluoromethoxy)phenyl]-6-[(3S)-3-(hydroxymethyl)pyrrolidin-1-yl]-5-pyrimidin-5-ylpyridine-3-carboxamide;N-[3-fluoro-4-(trifluoromethylsulfanyl)phenyl]-6-[(3R)-3-hydroxypyrrolidin-1-yl]-5-pyrimidin-5-ylpyridine-3-carboxamide;6-[(3R)-3-hydroxypyrrolidin-1-yl]-N-[4-(1,1,2,2,2-pentafluoroethyl)phenyl]-5-pyrimidin-5-ylpyridine-3-carboxamide;6-[(3R)-3-hydroxypyrrolidin-1-yl]-5-pyrimidin-5-yl-N-[4-(trifluoromethylsulfonyl)phenyl]pyridine-3-carboxamide |
| SMILES | CC(F)(F)Oc1ccc(NC(=O)c2cnc(N3CC[C@@H](O)C3)c(-c3cncnc3)c2)cc1.O=C(Nc1ccc(C(F)(F)C(F)(F)F)cc1)c1cnc(N2CC[C@@H](O)C2)c(-c2cncnc2)c1.O=C(Nc1ccc(OC(F)(F)F)c(Cl)c1)c1cnc(N2CC[C@@H](O)C2)c(-c2cncnc2)c1.O=C(Nc1ccc(OC(F)(F)F)c(F)c1)c1cnc(N2CC[C@H](CO)C2)c(-c2cncnc2)c1.O=C(Nc1ccc(S(=O)(=O)C(F)(F)F)cc1)c1cnc(N2CC[C@@H](O)C2)c(-c2cncnc2)c1.O=C(Nc1ccc(SC(F)(F)F)c(F)c1)c1cnc(N2CC[C@@H](O)C2)c(-c2cncnc2)c1.O=C(Nc1ccc(SC(F)F)cc1)c1cnc(N2CC[C@@H](O)C2)c(-c2cncnc2)c1 |
| InChI | InChI=1S/C22H18F5N5O2.C22H19F4N5O3.C22H21F2N5O3.C21H17ClF3N5O3.C21H17F4N5O2S.C21H18F3N5O4S.C21H19F2N5O2S/c23-21(24,22(25,26)27)15-1-3-16(4-2-15)31-20(34)13-7-18(14-8-28-12-29-9-14)19(30-10-13)32-6-5-17(33)11-32;23-18-6-16(1-2-19(18)34-22(24,25)26)30-21(33)14-5-17(15-7-27-12-28-8-15)20(29-9-14)31-4-3-13(10-31)11-32;1-22(23,24)32-18-4-2-16(3-5-18)28-21(31)14-8-19(15-9-25-13-26-10-15)20(27-11-14)29-7-6-17(30)12-29;2*22-17-6-14(1-2-18(17)33-21(23,24)25)29-20(32)12-5-16(13-7-26-11-27-8-13)19(28-9-12)30-4-3-15(31)10-30;22-21(23,24)34(32,33)17-3-1-15(2-4-17)28-20(31)13-7-18(14-8-25-12-26-9-14)19(27-10-13)29-6-5-16(30)11-29;22-21(23)31-17-3-1-15(2-4-17)27-20(30)13-7-18(14-8-24-12-25-9-14)19(26-10-13)28-6-5-16(29)11-28/h1-4,7-10,12,17,33H,5-6,11H2,(H,31,34);1-2,5-9,12-13,32H,3-4,10-11H2,(H,30,33);2-5,8-11,13,17,30H,6-7,12H2,1H3,(H,28,31);2*1-2,5-9,11,15,31H,3-4,10H2,(H,29,32);1-4,7-10,12,16,30H,5-6,11H2,(H,28,31);1-4,7-10,12,16,21,29H,5-6,11H2,(H,27,30)/t17-;13-;17-;2*15-;2*16-/m1011111/s1 |
| InChIKey | BOJCVDDDYPSXPL-FGOQTDKNSA-N |
| XLogP | 25.38 |
| TPSA | 700.51 Ų |
| H-Bond Donors | 14 |
| H-Bond Acceptors | 49 |
| Rotatable Bonds | 38 |
| Heavy Atoms | 231 |
| Complexity | — |
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 3294.52 |
| LogP ≤ 5 | 25.38 |
| H-Bond Donors ≤ 5 | 14 |
| H-Bond Acceptors ≤ 10 | 49 |
| Structural Alerts | {'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'} |
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