C76H100N18O6Si2 — CID 158836162
3-[4-amino-7-(1H-pyrazol-5-yl)pyrazolo[4,3-c]quinolin-2-yl]cyclopentan-1-ol;3-[tert-butyl(dimethyl)silyl]oxycyclopentan-1-ol;2-[3-[tert-butyl(dimethyl)silyl]oxycyclopentyl]-7-[2-(oxan-2-yl)pyrazol-3-yl]pyrazolo[4,3-c]quinolin-4-amine;7-[2-(oxan-2-yl)pyrazol-3-yl]-1H-pyrazolo[4,5-c]quinolin-4-amine (PubChem CID 158836162) has the molecular formula C76H100N18O6Si2 and a molecular weight of 1417.93 g/mol. Its IUPAC name is 3-[4-amino-7-(1H-pyrazol-5-yl)pyrazolo[4,3-c]quinolin-2-yl]cyclopentan-1-ol;3-[tert-butyl(dimethyl)silyl]oxycyclopentan-1-ol;2-[3-[tert-butyl(dimethyl)silyl]oxycyclopentyl]-7-[2-(oxan-2-yl)pyrazol-3-yl]pyrazolo[4,3-c]quinolin-4-amine;7-[2-(oxan-2-yl)pyrazol-3-yl]-1H-pyrazolo[4,5-c]quinolin-4-amine.
| Compound Name | 3-[4-amino-7-(1H-pyrazol-5-yl)pyrazolo[4,3-c]quinolin-2-yl]cyclopentan-1-ol;3-[tert-butyl(dimethyl)silyl]oxycyclopentan-1-ol;2-[3-[tert-butyl(dimethyl)silyl]oxycyclopentyl]-7-[2-(oxan-2-yl)pyrazol-3-yl]pyrazolo[4,3-c]quinolin-4-amine;7-[2-(oxan-2-yl)pyrazol-3-yl]-1H-pyrazolo[4,5-c]quinolin-4-amine |
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| PubChem CID | 158836162 |
| Molecular Formula | C76H100N18O6Si2 |
| Molecular Weight | 1417.93 g/mol |
| Exact Mass | 1416.76 |
| IUPAC Name | 3-[4-amino-7-(1H-pyrazol-5-yl)pyrazolo[4,3-c]quinolin-2-yl]cyclopentan-1-ol;3-[tert-butyl(dimethyl)silyl]oxycyclopentan-1-ol;2-[3-[tert-butyl(dimethyl)silyl]oxycyclopentyl]-7-[2-(oxan-2-yl)pyrazol-3-yl]pyrazolo[4,3-c]quinolin-4-amine;7-[2-(oxan-2-yl)pyrazol-3-yl]-1H-pyrazolo[4,5-c]quinolin-4-amine |
| SMILES | CC(C)(C)[Si](C)(C)OC1CCC(O)C1.CC(C)(C)[Si](C)(C)OC1CCC(n2cc3c(N)nc4cc(-c5ccnn5C5CCCCO5)ccc4c3n2)C1.Nc1nc2cc(-c3ccn[nH]3)ccc2c2nn(C3CCC(O)C3)cc12.Nc1nc2cc(-c3ccnn3C3CCCCO3)ccc2c2[nH]ncc12 |
| InChI | InChI=1S/C29H40N6O2Si.2C18H18N6O.C11H24O2Si/c1-29(2,3)38(4,5)37-21-11-10-20(17-21)34-18-23-27(33-34)22-12-9-19(16-24(22)32-28(23)30)25-13-14-31-35(25)26-8-6-7-15-36-26;19-18-14-9-24(11-2-3-12(25)8-11)23-17(14)13-4-1-10(7-16(13)21-18)15-5-6-20-22-15;19-18-13-10-20-23-17(13)12-5-4-11(9-14(12)22-18)15-6-7-21-24(15)16-3-1-2-8-25-16;1-11(2,3)14(4,5)13-10-7-6-9(12)8-10/h9,12-14,16,18,20-21,26H,6-8,10-11,15,17H2,1-5H3,(H2,30,32);1,4-7,9,11-12,25H,2-3,8H2,(H2,19,21)(H,20,22);4-7,9-10,16H,1-3,8H2,(H2,19,22)(H,20,23);9-10,12H,6-8H2,1-5H3 |
| InChIKey | IXQXKYCTRIVLRO-UHFFFAOYSA-N |
| XLogP | 15.66 |
| TPSA | 322.75 Ų |
| H-Bond Donors | 7 |
| H-Bond Acceptors | 22 |
| Rotatable Bonds | 11 |
| Heavy Atoms | 102 |
| Complexity | — |
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 1417.93 |
| LogP ≤ 5 | 15.66 |
| H-Bond Donors ≤ 5 | 7 |
| H-Bond Acceptors ≤ 10 | 22 |
| Structural Alerts | {'alert_name': 'heavy_metal', 'substructure': 'N/A'} |
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