C160H147F21N30O22 — CID 159774774
5-(2-aminopyrimidin-5-yl)-6-pyrrolidin-1-yl-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide;5-[6-(hydroxymethyl)-3-pyridinyl]-6-pyrrolidin-1-yl-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide;6-[(3R)-3-(hydroxymethyl)pyrrolidin-1-yl]-5-(6-methyl-3-pyridinyl)-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide;6-[(3R)-3-(hydroxymethyl)pyrrolidin-1-yl]-5-pyridin-3-yl-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide;6-[(3S)-3-(hydroxymethyl)pyrrolidin-1-yl]-5-pyridin-3-yl-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide;6-[(3R)-3-hydroxypyrrolidin-1-yl]-5-(5-methoxy-3-pyridinyl)-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide;6-[(3R)-3-hydroxypyrrolidin-1-yl]-5-(6-methoxy-3-pyridinyl)-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide (PubChem CID 159774774) has the molecular formula C160H147F21N30O22 and a molecular weight of 3241.08 g/mol. Its IUPAC name is 5-(2-aminopyrimidin-5-yl)-6-pyrrolidin-1-yl-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide;5-[6-(hydroxymethyl)-3-pyridinyl]-6-pyrrolidin-1-yl-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide;6-[(3R)-3-(hydroxymethyl)pyrrolidin-1-yl]-5-(6-methyl-3-pyridinyl)-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide;6-[(3R)-3-(hydroxymethyl)pyrrolidin-1-yl]-5-pyridin-3-yl-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide;6-[(3S)-3-(hydroxymethyl)pyrrolidin-1-yl]-5-pyridin-3-yl-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide;6-[(3R)-3-hydroxypyrrolidin-1-yl]-5-(5-methoxy-3-pyridinyl)-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide;6-[(3R)-3-hydroxypyrrolidin-1-yl]-5-(6-methoxy-3-pyridinyl)-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide.
| Compound Name | 5-(2-aminopyrimidin-5-yl)-6-pyrrolidin-1-yl-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide;5-[6-(hydroxymethyl)-3-pyridinyl]-6-pyrrolidin-1-yl-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide;6-[(3R)-3-(hydroxymethyl)pyrrolidin-1-yl]-5-(6-methyl-3-pyridinyl)-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide;6-[(3R)-3-(hydroxymethyl)pyrrolidin-1-yl]-5-pyridin-3-yl-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide;6-[(3S)-3-(hydroxymethyl)pyrrolidin-1-yl]-5-pyridin-3-yl-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide;6-[(3R)-3-hydroxypyrrolidin-1-yl]-5-(5-methoxy-3-pyridinyl)-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide;6-[(3R)-3-hydroxypyrrolidin-1-yl]-5-(6-methoxy-3-pyridinyl)-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide |
|---|---|
| PubChem CID | 159774774 |
| Molecular Formula | C160H147F21N30O22 |
| Molecular Weight | 3241.08 g/mol |
| Exact Mass | 3239.10 |
| IUPAC Name | 5-(2-aminopyrimidin-5-yl)-6-pyrrolidin-1-yl-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide;5-[6-(hydroxymethyl)-3-pyridinyl]-6-pyrrolidin-1-yl-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide;6-[(3R)-3-(hydroxymethyl)pyrrolidin-1-yl]-5-(6-methyl-3-pyridinyl)-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide;6-[(3R)-3-(hydroxymethyl)pyrrolidin-1-yl]-5-pyridin-3-yl-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide;6-[(3S)-3-(hydroxymethyl)pyrrolidin-1-yl]-5-pyridin-3-yl-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide;6-[(3R)-3-hydroxypyrrolidin-1-yl]-5-(5-methoxy-3-pyridinyl)-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide;6-[(3R)-3-hydroxypyrrolidin-1-yl]-5-(6-methoxy-3-pyridinyl)-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide |
| SMILES | COc1ccc(-c2cc(C(=O)Nc3ccc(OC(F)(F)F)cc3)cnc2N2CC[C@@H](O)C2)cn1.COc1cncc(-c2cc(C(=O)Nc3ccc(OC(F)(F)F)cc3)cnc2N2CC[C@@H](O)C2)c1.Cc1ccc(-c2cc(C(=O)Nc3ccc(OC(F)(F)F)cc3)cnc2N2CC[C@@H](CO)C2)cn1.Nc1ncc(-c2cc(C(=O)Nc3ccc(OC(F)(F)F)cc3)cnc2N2CCCC2)cn1.O=C(Nc1ccc(OC(F)(F)F)cc1)c1cnc(N2CCCC2)c(-c2ccc(CO)nc2)c1.O=C(Nc1ccc(OC(F)(F)F)cc1)c1cnc(N2CC[C@@H](CO)C2)c(-c2cccnc2)c1.O=C(Nc1ccc(OC(F)(F)F)cc1)c1cnc(N2CC[C@H](CO)C2)c(-c2cccnc2)c1 |
| InChI | InChI=1S/C24H23F3N4O3.2C23H21F3N4O4.3C23H21F3N4O3.C21H19F3N6O2/c1-15-2-3-17(11-28-15)21-10-18(12-29-22(21)31-9-8-16(13-31)14-32)23(33)30-19-4-6-20(7-5-19)34-24(25,26)27;1-33-20-7-2-14(11-27-20)19-10-15(12-28-21(19)30-9-8-17(31)13-30)22(32)29-16-3-5-18(6-4-16)34-23(24,25)26;1-33-19-8-14(10-27-12-19)20-9-15(11-28-21(20)30-7-6-17(31)13-30)22(32)29-16-2-4-18(5-3-16)34-23(24,25)26;2*24-23(25,26)33-19-5-3-18(4-6-19)29-22(32)17-10-20(16-2-1-8-27-11-16)21(28-12-17)30-9-7-15(13-30)14-31;24-23(25,26)33-19-7-5-17(6-8-19)29-22(32)16-11-20(15-3-4-18(14-31)27-12-15)21(28-13-16)30-9-1-2-10-30;22-21(23,24)32-16-5-3-15(4-6-16)29-19(31)13-9-17(14-11-27-20(25)28-12-14)18(26-10-13)30-7-1-2-8-30/h2-7,10-12,16,32H,8-9,13-14H2,1H3,(H,30,33);2-7,10-12,17,31H,8-9,13H2,1H3,(H,29,32);2-5,8-12,17,31H,6-7,13H2,1H3,(H,29,32);2*1-6,8,10-12,15,31H,7,9,13-14H2,(H,29,32);3-8,11-13,31H,1-2,9-10,14H2,(H,29,32);3-6,9-12H,1-2,7-8H2,(H,29,31)(H2,25,27,28)/t16-;2*17-;2*15-;;/m11110../s1 |
| InChIKey | NGPAXJNICVARIN-CNVGPEKNSA-N |
| XLogP | 28.65 |
| TPSA | 650.20 Ų |
| H-Bond Donors | 14 |
| H-Bond Acceptors | 45 |
| Rotatable Bonds | 41 |
| Heavy Atoms | 233 |
| Complexity | — |
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 3241.08 |
| LogP ≤ 5 | 28.65 |
| H-Bond Donors ≤ 5 | 14 |
| H-Bond Acceptors ≤ 10 | 45 |