N-[2-[8-(6-chloro-1H-indazol-4-yl)-2,4-dioxo-1,3,8-triazaspiro[4.5]decan-3-yl]ethyl]acetamide;9-(6-chloro-1H-indazol-4-yl)-4-prop-1-en-2-yl-1-oxa-4,9-diazaspiro[5.5]undecane;1-[1-(6-chloro-1H-indol-4-yl)piperidin-4-yl]imidazolidin-2-one;1-[1-(6-chloro-1H-indol-4-yl)piperidin-4-yl]-3-methylimidazolidin-2-one
C69H84Cl4N18O6 — CID 159918098
Data last refreshed: (MolForge compound catalog, from PubChem)
About N-[2-[8-(6-chloro-1H-indazol-4-yl)-2,4-dioxo-1,3,8-triazaspiro[4.5]decan-3-yl]ethyl]acetamide;9-(6-chloro-1H-indazol-4-yl)-4-prop-1-en-2-yl-1-oxa-4,9-diazaspiro[5.5]undecane;1-[1-(6-chloro-1H-indol-4-yl)piperidin-4-yl]imidazolidin-2-one;1-[1-(6-chloro-1H-indol-4-yl)piperidin-4-yl]-3-methylimidazolidin-2-one
N-[2-[8-(6-chloro-1H-indazol-4-yl)-2,4-dioxo-1,3,8-triazaspiro[4.5]decan-3-yl]ethyl]acetamide;9-(6-chloro-1H-indazol-4-yl)-4-prop-1-en-2-yl-1-oxa-4,9-diazaspiro[5.5]undecane;1-[1-(6-chloro-1H-indol-4-yl)piperidin-4-yl]imidazolidin-2-one;1-[1-(6-chloro-1H-indol-4-yl)piperidin-4-yl]-3-methylimidazolidin-2-one (PubChem CID 159918098) has the molecular formula C69H84Cl4N18O6 and a molecular weight of 1403.36 g/mol. Its IUPAC name is N-[2-[8-(6-chloro-1H-indazol-4-yl)-2,4-dioxo-1,3,8-triazaspiro[4.5]decan-3-yl]ethyl]acetamide;9-(6-chloro-1H-indazol-4-yl)-4-prop-1-en-2-yl-1-oxa-4,9-diazaspiro[5.5]undecane;1-[1-(6-chloro-1H-indol-4-yl)piperidin-4-yl]imidazolidin-2-one;1-[1-(6-chloro-1H-indol-4-yl)piperidin-4-yl]-3-methylimidazolidin-2-one.
Molecular Properties
| Compound Name | N-[2-[8-(6-chloro-1H-indazol-4-yl)-2,4-dioxo-1,3,8-triazaspiro[4.5]decan-3-yl]ethyl]acetamide;9-(6-chloro-1H-indazol-4-yl)-4-prop-1-en-2-yl-1-oxa-4,9-diazaspiro[5.5]undecane;1-[1-(6-chloro-1H-indol-4-yl)piperidin-4-yl]imidazolidin-2-one;1-[1-(6-chloro-1H-indol-4-yl)piperidin-4-yl]-3-methylimidazolidin-2-one |
|---|---|
| PubChem CID | 159918098 |
| Molecular Formula | C69H84Cl4N18O6 |
| Molecular Weight | 1403.36 g/mol |
| Exact Mass | 1400.56 |
| IUPAC Name | N-[2-[8-(6-chloro-1H-indazol-4-yl)-2,4-dioxo-1,3,8-triazaspiro[4.5]decan-3-yl]ethyl]acetamide;9-(6-chloro-1H-indazol-4-yl)-4-prop-1-en-2-yl-1-oxa-4,9-diazaspiro[5.5]undecane;1-[1-(6-chloro-1H-indol-4-yl)piperidin-4-yl]imidazolidin-2-one;1-[1-(6-chloro-1H-indol-4-yl)piperidin-4-yl]-3-methylimidazolidin-2-one |
| SMILES | C=C(C)N1CCOC2(CCN(c3cc(Cl)cc4[nH]ncc34)CC2)C1.CC(=O)NCCN1C(=O)NC2(CCN(c3cc(Cl)cc4[nH]ncc34)CC2)C1=O.CN1CCN(C2CCN(c3cc(Cl)cc4[nH]ccc34)CC2)C1=O.O=C1NCCN1C1CCN(c2cc(Cl)cc3[nH]ccc23)CC1 |
| InChI | InChI=1S/C18H21ClN6O3.C18H23ClN4O.C17H21ClN4O.C16H19ClN4O/c1-11(26)20-4-7-25-16(27)18(22-17(25)28)2-5-24(6-3-18)15-9-12(19)8-14-13(15)10-21-23-14;1-13(2)23-7-8-24-18(12-23)3-5-22(6-4-18)17-10-14(19)9-16-15(17)11-20-21-16;1-20-8-9-22(17(20)23)13-3-6-21(7-4-13)16-11-12(18)10-15-14(16)2-5-19-15;17-11-9-14-13(1-4-18-14)15(10-11)20-6-2-12(3-7-20)21-8-5-19-16(21)22/h8-10H,2-7H2,1H3,(H,20,26)(H,21,23)(H,22,28);9-11H,1,3-8,12H2,2H3,(H,20,21);2,5,10-11,13,19H,3-4,6-9H2,1H3;1,4,9-10,12,18H,2-3,5-8H2,(H,19,22) |
| InChIKey | NYAWHYCLGWCJKA-UHFFFAOYSA-N |
| XLogP | 10.64 |
| TPSA | 248.77 Ų |
| H-Bond Donors | 7 |
| H-Bond Acceptors | 13 |
| Rotatable Bonds | 10 |
| Heavy Atoms | 97 |
| Complexity | — |
Lipinski Rule of Five
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 1403.36 |
| LogP ≤ 5 | 10.64 |
| H-Bond Donors ≤ 5 | 7 |
| H-Bond Acceptors ≤ 10 | 13 |
Computed Properties (RDKit)
| Structural Alerts | {'alert_name': 'hydantoin', 'substructure': 'N/A'} |
|---|
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Sources
- PubChem CID 159918098 — identifiers, structure, computed properties (public domain)
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