C195H178F14N22O5Si2 — CID 162085966
(3-amino-2,6-difluorophenyl)-(5-pyridin-3-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)methanone;3-(dibenzylamino)-2,6-difluorobenzaldehyde;[3-(dibenzylamino)-2,6-difluorophenyl]-(5-pyridin-3-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)methanol;bis([3-(dibenzylamino)-2,6-difluorophenyl]-(5-pyridin-3-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)methanone);N,N-dibenzyl-2,4-difluoroaniline;2,4-difluoroaniline;5-pyridin-3-yl-1H-pyrrolo[2,3-b]pyridine;bis(tri(propan-2-yl)silane) (PubChem CID 162085966) has the molecular formula C195H178F14N22O5Si2 and a molecular weight of 3231.86 g/mol. Its IUPAC name is (3-amino-2,6-difluorophenyl)-(5-pyridin-3-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)methanone;3-(dibenzylamino)-2,6-difluorobenzaldehyde;[3-(dibenzylamino)-2,6-difluorophenyl]-(5-pyridin-3-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)methanol;bis([3-(dibenzylamino)-2,6-difluorophenyl]-(5-pyridin-3-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)methanone);N,N-dibenzyl-2,4-difluoroaniline;2,4-difluoroaniline;5-pyridin-3-yl-1H-pyrrolo[2,3-b]pyridine;bis(tri(propan-2-yl)silane).
| Compound Name | (3-amino-2,6-difluorophenyl)-(5-pyridin-3-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)methanone;3-(dibenzylamino)-2,6-difluorobenzaldehyde;[3-(dibenzylamino)-2,6-difluorophenyl]-(5-pyridin-3-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)methanol;bis([3-(dibenzylamino)-2,6-difluorophenyl]-(5-pyridin-3-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)methanone);N,N-dibenzyl-2,4-difluoroaniline;2,4-difluoroaniline;5-pyridin-3-yl-1H-pyrrolo[2,3-b]pyridine;bis(tri(propan-2-yl)silane) |
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| PubChem CID | 162085966 |
| Molecular Formula | C195H178F14N22O5Si2 |
| Molecular Weight | 3231.86 g/mol |
| Exact Mass | 3229.37 |
| IUPAC Name | (3-amino-2,6-difluorophenyl)-(5-pyridin-3-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)methanone;3-(dibenzylamino)-2,6-difluorobenzaldehyde;[3-(dibenzylamino)-2,6-difluorophenyl]-(5-pyridin-3-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)methanol;bis([3-(dibenzylamino)-2,6-difluorophenyl]-(5-pyridin-3-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)methanone);N,N-dibenzyl-2,4-difluoroaniline;2,4-difluoroaniline;5-pyridin-3-yl-1H-pyrrolo[2,3-b]pyridine;bis(tri(propan-2-yl)silane) |
| SMILES | CC(C)[SiH](C(C)C)C(C)C.CC(C)[SiH](C(C)C)C(C)C.Fc1ccc(N(Cc2ccccc2)Cc2ccccc2)c(F)c1.Nc1ccc(F)c(C(=O)c2c[nH]c3ncc(-c4cccnc4)cc23)c1F.Nc1ccc(F)cc1F.O=C(c1c(F)ccc(N(Cc2ccccc2)Cc2ccccc2)c1F)c1c[nH]c2ncc(-c3cccnc3)cc12.O=C(c1c(F)ccc(N(Cc2ccccc2)Cc2ccccc2)c1F)c1c[nH]c2ncc(-c3cccnc3)cc12.O=Cc1c(F)ccc(N(Cc2ccccc2)Cc2ccccc2)c1F.OC(c1c(F)ccc(N(Cc2ccccc2)Cc2ccccc2)c1F)c1c[nH]c2ncc(-c3cccnc3)cc12.c1cncc(-c2cnc3[nH]ccc3c2)c1 |
| InChI | InChI=1S/C33H26F2N4O.2C33H24F2N4O.C21H17F2NO.C20H17F2N.C19H12F2N4O.C12H9N3.2C9H22Si.C6H5F2N/c3*34-28-13-14-29(39(20-22-8-3-1-4-9-22)21-23-10-5-2-6-11-23)31(35)30(28)32(40)27-19-38-33-26(27)16-25(18-37-33)24-12-7-15-36-17-24;22-19-11-12-20(21(23)18(19)15-25)24(13-16-7-3-1-4-8-16)14-17-9-5-2-6-10-17;21-18-11-12-20(19(22)13-18)23(14-16-7-3-1-4-8-16)15-17-9-5-2-6-10-17;20-14-3-4-15(22)17(21)16(14)18(26)13-9-25-19-12(13)6-11(8-24-19)10-2-1-5-23-7-10;1-2-10(7-13-4-1)11-6-9-3-5-14-12(9)15-8-11;2*1-7(2)10(8(3)4)9(5)6;7-4-1-2-6(9)5(8)3-4/h1-19,32,40H,20-21H2,(H,37,38);2*1-19H,20-21H2,(H,37,38);1-12,15H,13-14H2;1-13H,14-15H2;1-9H,22H2,(H,24,25);1-8H,(H,14,15);2*7-10H,1-6H3;1-3H,9H2 |
| InChIKey | ZCYOYVPBHXEFMY-UHFFFAOYSA-N |
| XLogP | 46.80 |
| TPSA | 364.60 Ų |
| H-Bond Donors | 8 |
| H-Bond Acceptors | 22 |
| Rotatable Bonds | 45 |
| Heavy Atoms | 238 |
| Complexity | — |
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 3231.86 |
| LogP ≤ 5 | 46.80 |
| H-Bond Donors ≤ 5 | 8 |
| H-Bond Acceptors ≤ 10 | 22 |
| Structural Alerts | {'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'} |
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