7-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-5-chloro-1H-indazole;1-(5-chloro-1H-indazol-7-yl)-2-cyclohexyl-1-deuterio-2-methylpropan-1-ol;6-(5-chloro-1H-indazol-7-yl)-1,1,3,3-tetramethyl-2-oxaspiro[3.3]heptan-6-ol;(1-cyclohexylcyclopropyl)-(5,6-dichloro-1H-indazol-7-yl)methanol;1-(5,6-dichloro-1H-indazol-7-yl)-2,2-dimethylpropan-1-ol
C79H97Cl7N10O5 — CID 158009478
Data last refreshed: (MolForge compound catalog, from PubChem)
IUPAC7-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-5-chloro-1H-indazole;1-(5-chloro-1H-indazol-7-yl)-2-cyclohexyl-1-deuterio-2-methylpropan-1-ol;6-(5-chloro-1H-indazol-7-yl)-1,1,3,3-tetramethyl-2-oxaspiro[3.3]heptan-6-ol;(1-cyclohexylcyclopropyl)-(5,6-dichloro-1H-indazol-7-yl)methanol;1-(5,6-dichloro-1H-indazol-7-yl)-2,2-dimethylpropan-1-ol
SMILESCC(C)(C)C(O)c1c(Cl)c(Cl)cc2cn[nH]c12.CC(c1cc(Cl)cc2cn[nH]c12)C1CC2CCC1C2.CC1(C)OC(C)(C)C12CC(O)(c1cc(Cl)cc3cn[nH]c13)C2.OC(c1c(Cl)c(Cl)cc2cn[nH]c12)C1(C2CCCCC2)CC1.[2H]C(O)(c1cc(Cl)cc2cn[nH]c12)C(C)(C)C1CCCCC1
InChIInChI=1S/C17H20Cl2N2O.C17H21ClN2O2.C17H23ClN2O.C16H19ClN2.C12H14Cl2N2O/c18-12-8-10-9-20-21-15(10)13(14(12)19)16(22)17(6-7-17)11-4-2-1-3-5-11;1-14(2)17(15(3,4)22-14)8-16(21,9-17)12-6-11(18)5-10-7-19-20-13(10)12;1-17(2,12-6-4-3-5-7-12)16(21)14-9-13(18)8-11-10-19-20-15(11)14;1-9(14-5-10-2-3-11(14)4-10)15-7-13(17)6-12-8-18-19-16(12)15;1-12(2,3)11(17)8-9(14)7(13)4-6-5-15-16-10(6)8/h8-9,11,16,22H,1-7H2,(H,20,21);5-7,21H,8-9H2,1-4H3,(H,19,20);8-10,12,16,21H,3-7H2,1-2H3,(H,19,20);6-11,14H,2-5H2,1H3,(H,18,19);4-5,11,17H,1-3H3,(H,15,16)/i;;16D;;
InChIKeyFERZBGGLLDWCOY-OSTQURPBSA-N
MW1515.89 g/mol
LogP22.60
Rot. Bonds10
About 7-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-5-chloro-1H-indazole;1-(5-chloro-1H-indazol-7-yl)-2-cyclohexyl-1-deuterio-2-methylpropan-1-ol;6-(5-chloro-1H-indazol-7-yl)-1,1,3,3-tetramethyl-2-oxaspiro[3.3]heptan-6-ol;(1-cyclohexylcyclopropyl)-(5,6-dichloro-1H-indazol-7-yl)methanol;1-(5,6-dichloro-1H-indazol-7-yl)-2,2-dimethylpropan-1-ol
7-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-5-chloro-1H-indazole;1-(5-chloro-1H-indazol-7-yl)-2-cyclohexyl-1-deuterio-2-methylpropan-1-ol;6-(5-chloro-1H-indazol-7-yl)-1,1,3,3-tetramethyl-2-oxaspiro[3.3]heptan-6-ol;(1-cyclohexylcyclopropyl)-(5,6-dichloro-1H-indazol-7-yl)methanol;1-(5,6-dichloro-1H-indazol-7-yl)-2,2-dimethylpropan-1-ol (PubChem CID 158009478) has the molecular formula C79H97Cl7N10O5 and a molecular weight of 1515.89 g/mol. Its IUPAC name is 7-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-5-chloro-1H-indazole;1-(5-chloro-1H-indazol-7-yl)-2-cyclohexyl-1-deuterio-2-methylpropan-1-ol;6-(5-chloro-1H-indazol-7-yl)-1,1,3,3-tetramethyl-2-oxaspiro[3.3]heptan-6-ol;(1-cyclohexylcyclopropyl)-(5,6-dichloro-1H-indazol-7-yl)methanol;1-(5,6-dichloro-1H-indazol-7-yl)-2,2-dimethylpropan-1-ol.
Molecular Properties
| Compound Name | 7-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-5-chloro-1H-indazole;1-(5-chloro-1H-indazol-7-yl)-2-cyclohexyl-1-deuterio-2-methylpropan-1-ol;6-(5-chloro-1H-indazol-7-yl)-1,1,3,3-tetramethyl-2-oxaspiro[3.3]heptan-6-ol;(1-cyclohexylcyclopropyl)-(5,6-dichloro-1H-indazol-7-yl)methanol;1-(5,6-dichloro-1H-indazol-7-yl)-2,2-dimethylpropan-1-ol |
|---|---|
| PubChem CID | 158009478 |
| Molecular Formula | C79H97Cl7N10O5 |
| Molecular Weight | 1515.89 g/mol |
| Exact Mass | 1511.55 |
| IUPAC Name | 7-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-5-chloro-1H-indazole;1-(5-chloro-1H-indazol-7-yl)-2-cyclohexyl-1-deuterio-2-methylpropan-1-ol;6-(5-chloro-1H-indazol-7-yl)-1,1,3,3-tetramethyl-2-oxaspiro[3.3]heptan-6-ol;(1-cyclohexylcyclopropyl)-(5,6-dichloro-1H-indazol-7-yl)methanol;1-(5,6-dichloro-1H-indazol-7-yl)-2,2-dimethylpropan-1-ol |
| SMILES | CC(C)(C)C(O)c1c(Cl)c(Cl)cc2cn[nH]c12.CC(c1cc(Cl)cc2cn[nH]c12)C1CC2CCC1C2.CC1(C)OC(C)(C)C12CC(O)(c1cc(Cl)cc3cn[nH]c13)C2.OC(c1c(Cl)c(Cl)cc2cn[nH]c12)C1(C2CCCCC2)CC1.[2H]C(O)(c1cc(Cl)cc2cn[nH]c12)C(C)(C)C1CCCCC1 |
| InChI | InChI=1S/C17H20Cl2N2O.C17H21ClN2O2.C17H23ClN2O.C16H19ClN2.C12H14Cl2N2O/c18-12-8-10-9-20-21-15(10)13(14(12)19)16(22)17(6-7-17)11-4-2-1-3-5-11;1-14(2)17(15(3,4)22-14)8-16(21,9-17)12-6-11(18)5-10-7-19-20-13(10)12;1-17(2,12-6-4-3-5-7-12)16(21)14-9-13(18)8-11-10-19-20-15(11)14;1-9(14-5-10-2-3-11(14)4-10)15-7-13(17)6-12-8-18-19-16(12)15;1-12(2,3)11(17)8-9(14)7(13)4-6-5-15-16-10(6)8/h8-9,11,16,22H,1-7H2,(H,20,21);5-7,21H,8-9H2,1-4H3,(H,19,20);8-10,12,16,21H,3-7H2,1-2H3,(H,19,20);6-11,14H,2-5H2,1H3,(H,18,19);4-5,11,17H,1-3H3,(H,15,16)/i;;16D;; |
| InChIKey | FERZBGGLLDWCOY-OSTQURPBSA-N |
| XLogP | 22.60 |
| TPSA | 233.55 Ų |
| H-Bond Donors | 9 |
| H-Bond Acceptors | 10 |
| Rotatable Bonds | 10 |
| Heavy Atoms | 101 |
| Complexity | — |
Lipinski Rule of Five
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 1515.89 |
| LogP ≤ 5 | 22.60 |
| H-Bond Donors ≤ 5 | 9 |
| H-Bond Acceptors ≤ 10 | 10 |
Frequently Asked Questions
What is the IUPAC name of 7-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-5-chloro-1H-indazole;1-(5-chloro-1H-indazol-7-yl)-2-cyclohexyl-1-deuterio-2-methylpropan-1-ol;6-(5-chloro-1H-indazol-7-yl)-1,1,3,3-tetramethyl-2-oxaspiro[3.3]heptan-6-ol;(1-cyclohexylcyclopropyl)-(5,6-dichloro-1H-indazol-7-yl)methanol;1-(5,6-dichloro-1H-indazol-7-yl)-2,2-dimethylpropan-1-ol?
The IUPAC name of 7-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-5-chloro-1H-indazole;1-(5-chloro-1H-indazol-7-yl)-2-cyclohexyl-1-deuterio-2-methylpropan-1-ol;6-(5-chloro-1H-indazol-7-yl)-1,1,3,3-tetramethyl-2-oxaspiro[3.3]heptan-6-ol;(1-cyclohexylcyclopropyl)-(5,6-dichloro-1H-indazol-7-yl)methanol;1-(5,6-dichloro-1H-indazol-7-yl)-2,2-dimethylpropan-1-ol (CID 158009478) is 7-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-5-chloro-1H-indazole;1-(5-chloro-1H-indazol-7-yl)-2-cyclohexyl-1-deuterio-2-methylpropan-1-ol;6-(5-chloro-1H-indazol-7-yl)-1,1,3,3-tetramethyl-2-oxaspiro[3.3]heptan-6-ol;(1-cyclohexylcyclopropyl)-(5,6-dichloro-1H-indazol-7-yl)methanol;1-(5,6-dichloro-1H-indazol-7-yl)-2,2-dimethylpropan-1-ol.
What is the SMILES notation for 7-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-5-chloro-1H-indazole;1-(5-chloro-1H-indazol-7-yl)-2-cyclohexyl-1-deuterio-2-methylpropan-1-ol;6-(5-chloro-1H-indazol-7-yl)-1,1,3,3-tetramethyl-2-oxaspiro[3.3]heptan-6-ol;(1-cyclohexylcyclopropyl)-(5,6-dichloro-1H-indazol-7-yl)methanol;1-(5,6-dichloro-1H-indazol-7-yl)-2,2-dimethylpropan-1-ol?
The canonical SMILES for 7-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-5-chloro-1H-indazole;1-(5-chloro-1H-indazol-7-yl)-2-cyclohexyl-1-deuterio-2-methylpropan-1-ol;6-(5-chloro-1H-indazol-7-yl)-1,1,3,3-tetramethyl-2-oxaspiro[3.3]heptan-6-ol;(1-cyclohexylcyclopropyl)-(5,6-dichloro-1H-indazol-7-yl)methanol;1-(5,6-dichloro-1H-indazol-7-yl)-2,2-dimethylpropan-1-ol is CC(C)(C)C(O)c1c(Cl)c(Cl)cc2cn[nH]c12.CC(c1cc(Cl)cc2cn[nH]c12)C1CC2CCC1C2.CC1(C)OC(C)(C)C12CC(O)(c1cc(Cl)cc3cn[nH]c13)C2.OC(c1c(Cl)c(Cl)cc2cn[nH]c12)C1(C2CCCCC2)CC1.[2H]C(O)(c1cc(Cl)cc2cn[nH]c12)C(C)(C)C1CCCCC1.
What is the InChIKey of 7-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-5-chloro-1H-indazole;1-(5-chloro-1H-indazol-7-yl)-2-cyclohexyl-1-deuterio-2-methylpropan-1-ol;6-(5-chloro-1H-indazol-7-yl)-1,1,3,3-tetramethyl-2-oxaspiro[3.3]heptan-6-ol;(1-cyclohexylcyclopropyl)-(5,6-dichloro-1H-indazol-7-yl)methanol;1-(5,6-dichloro-1H-indazol-7-yl)-2,2-dimethylpropan-1-ol?
The InChIKey is FERZBGGLLDWCOY-OSTQURPBSA-N. The full InChI is InChI=1S/C17H20Cl2N2O.C17H21ClN2O2.C17H23ClN2O.C16H19ClN2.C12H14Cl2N2O/c18-12-8-10-9-20-21-15(10)13(14(12)19)16(22)17(6-7-17)11-4-2-1-3-5-11;1-14(2)17(15(3,4)22-14)8-16(21,9-17)12-6-11(18)5-10-7-19-20-13(10)12;1-17(2,12-6-4-3-5-7-12)16(21)14-9-13(18)8-11-10-19-20-15(11)14;1-9(14-5-10-2-3-11(14)4-10)15-7-13(17)6-12-8-18-19-16(12)15;1-12(2,3)11(17)8-9(14)7(13)4-6-5-15-16-10(6)8/h8-9,11,16,22H,1-7H2,(H,20,21);5-7,21H,8-9H2,1-4H3,(H,19,20);8-10,12,16,21H,3-7H2,1-2H3,(H,19,20);6-11,14H,2-5H2,1H3,(H,18,19);4-5,11,17H,1-3H3,(H,15,16)/i;;16D;;.
What are the key properties of 7-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-5-chloro-1H-indazole;1-(5-chloro-1H-indazol-7-yl)-2-cyclohexyl-1-deuterio-2-methylpropan-1-ol;6-(5-chloro-1H-indazol-7-yl)-1,1,3,3-tetramethyl-2-oxaspiro[3.3]heptan-6-ol;(1-cyclohexylcyclopropyl)-(5,6-dichloro-1H-indazol-7-yl)methanol;1-(5,6-dichloro-1H-indazol-7-yl)-2,2-dimethylpropan-1-ol?
7-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-5-chloro-1H-indazole;1-(5-chloro-1H-indazol-7-yl)-2-cyclohexyl-1-deuterio-2-methylpropan-1-ol;6-(5-chloro-1H-indazol-7-yl)-1,1,3,3-tetramethyl-2-oxaspiro[3.3]heptan-6-ol;(1-cyclohexylcyclopropyl)-(5,6-dichloro-1H-indazol-7-yl)methanol;1-(5,6-dichloro-1H-indazol-7-yl)-2,2-dimethylpropan-1-ol has a molecular weight of 1515.89 g/mol, XLogP of 22.60, 10 rotatable bonds, 9 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-5-chloro-1H-indazole;1-(5-chloro-1H-indazol-7-yl)-2-cyclohexyl-1-deuterio-2-methylpropan-1-ol;6-(5-chloro-1H-indazol-7-yl)-1,1,3,3-tetramethyl-2-oxaspiro[3.3]heptan-6-ol;(1-cyclohexylcyclopropyl)-(5,6-dichloro-1H-indazol-7-yl)methanol;1-(5,6-dichloro-1H-indazol-7-yl)-2,2-dimethylpropan-1-ol is sourced from PubChem (CID 158009478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).
Browse: Molecules A–Z · all molecules A–Z · drugs A–Z · protein targets A–Z.
Sources
- PubChem CID 158009478 — identifiers, structure, computed properties (public domain)
How this page is built: methodology · editorial policy & corrections.
For research and educational use only — not medical advice. This page is compiled automatically from public databases. It is not written or reviewed by a clinician. Do not start, stop or change any treatment based on it; consult a qualified healthcare professional. Spotted an error? See our corrections policy or email hello@molforge.ai.