C90H105F6N15O7Si2 — CID 158241080
N-[4-[2-[tert-butyl(dimethyl)silyl]oxyethylamino]phenyl]-5-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyridine-3-carboxamide;4-N-[2-[tert-butyl(dimethyl)silyl]oxyethyl]benzene-1,4-diamine;5-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]-N-[4-(2-hydroxyethylamino)phenyl]pyrazolo[1,5-a]pyridine-3-carboxamide;5-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyridine-3-carboxylic acid (PubChem CID 158241080) has the molecular formula C90H105F6N15O7Si2 and a molecular weight of 1679.09 g/mol. Its IUPAC name is N-[4-[2-[tert-butyl(dimethyl)silyl]oxyethylamino]phenyl]-5-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyridine-3-carboxamide;4-N-[2-[tert-butyl(dimethyl)silyl]oxyethyl]benzene-1,4-diamine;5-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]-N-[4-(2-hydroxyethylamino)phenyl]pyrazolo[1,5-a]pyridine-3-carboxamide;5-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyridine-3-carboxylic acid.
| Compound Name | N-[4-[2-[tert-butyl(dimethyl)silyl]oxyethylamino]phenyl]-5-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyridine-3-carboxamide;4-N-[2-[tert-butyl(dimethyl)silyl]oxyethyl]benzene-1,4-diamine;5-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]-N-[4-(2-hydroxyethylamino)phenyl]pyrazolo[1,5-a]pyridine-3-carboxamide;5-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyridine-3-carboxylic acid |
|---|---|
| PubChem CID | 158241080 |
| Molecular Formula | C90H105F6N15O7Si2 |
| Molecular Weight | 1679.09 g/mol |
| Exact Mass | 1677.78 |
| IUPAC Name | N-[4-[2-[tert-butyl(dimethyl)silyl]oxyethylamino]phenyl]-5-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyridine-3-carboxamide;4-N-[2-[tert-butyl(dimethyl)silyl]oxyethyl]benzene-1,4-diamine;5-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]-N-[4-(2-hydroxyethylamino)phenyl]pyrazolo[1,5-a]pyridine-3-carboxamide;5-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyridine-3-carboxylic acid |
| SMILES | CC(C)(C)[Si](C)(C)OCCNc1ccc(N)cc1.CC(C)(C)[Si](C)(C)OCCNc1ccc(NC(=O)c2cnn3ccc(N4CCC[C@@H]4c4cc(F)ccc4F)cc23)cc1.O=C(Nc1ccc(NCCO)cc1)c1cnn2ccc(N3CCC[C@@H]3c3cc(F)ccc3F)cc12.O=C(O)c1cnn2ccc(N3CCC[C@@H]3c3cc(F)ccc3F)cc12 |
| InChI | InChI=1S/C32H39F2N5O2Si.C26H25F2N5O2.C18H15F2N3O2.C14H26N2OSi/c1-32(2,3)42(4,5)41-18-15-35-23-9-11-24(12-10-23)37-31(40)27-21-36-39-17-14-25(20-30(27)39)38-16-6-7-29(38)26-19-22(33)8-13-28(26)34;27-17-3-8-23(28)21(14-17)24-2-1-11-32(24)20-9-12-33-25(15-20)22(16-30-33)26(35)31-19-6-4-18(5-7-19)29-10-13-34;19-11-3-4-15(20)13(8-11)16-2-1-6-22(16)12-5-7-23-17(9-12)14(10-21-23)18(24)25;1-14(2,3)18(4,5)17-11-10-16-13-8-6-12(15)7-9-13/h8-14,17,19-21,29,35H,6-7,15-16,18H2,1-5H3,(H,37,40);3-9,12,14-16,24,29,34H,1-2,10-11,13H2,(H,31,35);3-5,7-10,16H,1-2,6H2,(H,24,25);6-9,16H,10-11,15H2,1-5H3/t29-;24-;16-;/m111./s1 |
| InChIKey | GFNVYEIUFUMFAL-MHFWCIHISA-N |
| XLogP | 19.61 |
| TPSA | 257.92 Ų |
| H-Bond Donors | 8 |
| H-Bond Acceptors | 19 |
| Rotatable Bonds | 24 |
| Heavy Atoms | 120 |
| Complexity | — |
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 1679.09 |
| LogP ≤ 5 | 19.61 |
| H-Bond Donors ≤ 5 | 8 |
| H-Bond Acceptors ≤ 10 | 19 |
| Structural Alerts | {'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'} |
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