C122H144N22O13 — CID 157394447
2-[5-[5-[[(2S)-azetidin-2-yl]methoxy]-3-pyridinyl]-3-pyridinyl]-1,3-dihydroisoindole;2-[4-[5-[[(2S)-azetidin-2-yl]methoxy]-3-pyridinyl]-2-pyridinyl]ethanol;2-[5-[5-[[(2S)-azetidin-2-yl]methoxy]-3-pyridinyl]-3-pyridinyl]ethanol;3-[2-[5-[[(2S)-azetidin-2-yl]methoxy]-3-pyridinyl]-4-pyridinyl]propan-1-ol;3-[4-[5-[[(2S)-azetidin-2-yl]methoxy]-3-pyridinyl]-2-pyridinyl]propan-1-ol;3-[5-[5-[[(2S)-azetidin-2-yl]methoxy]-3-pyridinyl]-3-pyridinyl]propan-1-ol;3-[6-[5-[[(2S)-azetidin-2-yl]methoxy]-3-pyridinyl]-2-pyridinyl]propan-1-ol (PubChem CID 157394447) has the molecular formula C122H144N22O13 and a molecular weight of 2126.63 g/mol. Its IUPAC name is 2-[5-[5-[[(2S)-azetidin-2-yl]methoxy]-3-pyridinyl]-3-pyridinyl]-1,3-dihydroisoindole;2-[4-[5-[[(2S)-azetidin-2-yl]methoxy]-3-pyridinyl]-2-pyridinyl]ethanol;2-[5-[5-[[(2S)-azetidin-2-yl]methoxy]-3-pyridinyl]-3-pyridinyl]ethanol;3-[2-[5-[[(2S)-azetidin-2-yl]methoxy]-3-pyridinyl]-4-pyridinyl]propan-1-ol;3-[4-[5-[[(2S)-azetidin-2-yl]methoxy]-3-pyridinyl]-2-pyridinyl]propan-1-ol;3-[5-[5-[[(2S)-azetidin-2-yl]methoxy]-3-pyridinyl]-3-pyridinyl]propan-1-ol;3-[6-[5-[[(2S)-azetidin-2-yl]methoxy]-3-pyridinyl]-2-pyridinyl]propan-1-ol.
| Compound Name | 2-[5-[5-[[(2S)-azetidin-2-yl]methoxy]-3-pyridinyl]-3-pyridinyl]-1,3-dihydroisoindole;2-[4-[5-[[(2S)-azetidin-2-yl]methoxy]-3-pyridinyl]-2-pyridinyl]ethanol;2-[5-[5-[[(2S)-azetidin-2-yl]methoxy]-3-pyridinyl]-3-pyridinyl]ethanol;3-[2-[5-[[(2S)-azetidin-2-yl]methoxy]-3-pyridinyl]-4-pyridinyl]propan-1-ol;3-[4-[5-[[(2S)-azetidin-2-yl]methoxy]-3-pyridinyl]-2-pyridinyl]propan-1-ol;3-[5-[5-[[(2S)-azetidin-2-yl]methoxy]-3-pyridinyl]-3-pyridinyl]propan-1-ol;3-[6-[5-[[(2S)-azetidin-2-yl]methoxy]-3-pyridinyl]-2-pyridinyl]propan-1-ol |
|---|---|
| PubChem CID | 157394447 |
| Molecular Formula | C122H144N22O13 |
| Molecular Weight | 2126.63 g/mol |
| Exact Mass | 2125.13 |
| IUPAC Name | 2-[5-[5-[[(2S)-azetidin-2-yl]methoxy]-3-pyridinyl]-3-pyridinyl]-1,3-dihydroisoindole;2-[4-[5-[[(2S)-azetidin-2-yl]methoxy]-3-pyridinyl]-2-pyridinyl]ethanol;2-[5-[5-[[(2S)-azetidin-2-yl]methoxy]-3-pyridinyl]-3-pyridinyl]ethanol;3-[2-[5-[[(2S)-azetidin-2-yl]methoxy]-3-pyridinyl]-4-pyridinyl]propan-1-ol;3-[4-[5-[[(2S)-azetidin-2-yl]methoxy]-3-pyridinyl]-2-pyridinyl]propan-1-ol;3-[5-[5-[[(2S)-azetidin-2-yl]methoxy]-3-pyridinyl]-3-pyridinyl]propan-1-ol;3-[6-[5-[[(2S)-azetidin-2-yl]methoxy]-3-pyridinyl]-2-pyridinyl]propan-1-ol |
| SMILES | OCCCc1cc(-c2cncc(OC[C@@H]3CCN3)c2)ccn1.OCCCc1cccc(-c2cncc(OC[C@@H]3CCN3)c2)n1.OCCCc1ccnc(-c2cncc(OC[C@@H]3CCN3)c2)c1.OCCCc1cncc(-c2cncc(OC[C@@H]3CCN3)c2)c1.OCCc1cc(-c2cncc(OC[C@@H]3CCN3)c2)ccn1.OCCc1cncc(-c2cncc(OC[C@@H]3CCN3)c2)c1.c1ccc2c(c1)CN(c1cncc(-c3cncc(OC[C@@H]4CCN4)c3)c1)C2 |
| InChI | InChI=1S/C22H22N4O.4C17H21N3O2.2C16H19N3O2/c1-2-4-17-14-26(13-16(17)3-1)21-7-18(9-23-11-21)19-8-22(12-24-10-19)27-15-20-5-6-25-20;21-8-2-4-14-3-1-5-17(20-14)13-9-16(11-18-10-13)22-12-15-6-7-19-15;21-7-1-2-15-8-13(3-5-19-15)14-9-17(11-18-10-14)22-12-16-4-6-20-16;21-7-1-2-13-3-5-20-17(8-13)14-9-16(11-18-10-14)22-12-15-4-6-19-15;21-5-1-2-13-6-14(9-18-8-13)15-7-17(11-19-10-15)22-12-16-3-4-20-16;20-6-3-14-7-12(1-4-18-14)13-8-16(10-17-9-13)21-11-15-2-5-19-15;20-4-2-12-5-13(8-17-7-12)14-6-16(10-18-9-14)21-11-15-1-3-19-15/h1-4,7-12,20,25H,5-6,13-15H2;1,3,5,9-11,15,19,21H,2,4,6-8,12H2;3,5,8-11,16,20-21H,1-2,4,6-7,12H2;3,5,8-11,15,19,21H,1-2,4,6-7,12H2;6-11,16,20-21H,1-5,12H2;1,4,7-10,15,19-20H,2-3,5-6,11H2;5-10,15,19-20H,1-4,11H2/t20-;15-;16-;15-;16-;2*15-/m0000000/s1 |
| InChIKey | BMKATSJVQOJMRC-RPNCWHMKSA-N |
| XLogP | 13.48 |
| TPSA | 453.90 Ų |
| H-Bond Donors | 13 |
| H-Bond Acceptors | 35 |
| Rotatable Bonds | 45 |
| Heavy Atoms | 157 |
| Complexity | — |
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2126.63 |
| LogP ≤ 5 | 13.48 |
| H-Bond Donors ≤ 5 | 13 |
| H-Bond Acceptors ≤ 10 | 35 |