2-(4-chloro-1-methylindazol-3-yl)-1-(5-hydroxy-7-methyl-2-azatricyclo[3.3.1.13,7]decan-2-yl)propan-1-one;2-[2-(4-chloro-1-methylindazol-3-yl)propanoyl]-7-methyl-2-azatricyclo[3.3.1.13,7]decane-5-carbonitrile;2-(4-cyclopropyl-5-fluoro-1-methylindazol-3-yl)-1-(5-hydroxy-7-methyl-2-azatricyclo[3.3.1.13,7]decan-2-yl)propan-1-one;2-[2-(4-cyclopropyl-1-methylindazol-3-yl)propanoyl]-7-methyl-2-azatricyclo[3.3.1.13,7]decane-5-carbonitrile;2-(4-fluoro-1-methylindazol-3-yl)-1-(5-hydroxy-7-methyl-2-azatricyclo[3.3.1.13,7]decan-2-yl)propan-1-one;2-[2-(4-fluoro-1-methylindazol-3-yl)propanoyl]-7-methyl-2-azatricyclo[3.3.1.13,7]decane-5-carbonitrile

C135H162Cl2F3N21O9 — CID 158722300

About 2-(4-chloro-1-methylindazol-3-yl)-1-(5-hydroxy-7-methyl-2-azatricyclo[3.3.1.13,7]decan-2-yl)propan-1-one;2-[2-(4-chloro-1-methylindazol-3-yl)propanoyl]-7-methyl-2-azatricyclo[3.3.1.13,7]decane-5-carbonitrile;2-(4-cyclopropyl-5-fluoro-1-methylindazol-3-yl)-1-(5-hydroxy-7-methyl-2-azatricyclo[3.3.1.13,7]decan-2-yl)propan-1-one;2-[2-(4-cyclopropyl-1-methylindazol-3-yl)propanoyl]-7-methyl-2-azatricyclo[3.3.1.13,7]decane-5-carbonitrile;2-(4-fluoro-1-methylindazol-3-yl)-1-(5-hydroxy-7-methyl-2-azatricyclo[3.3.1.13,7]decan-2-yl)propan-1-one;2-[2-(4-fluoro-1-methylindazol-3-yl)propanoyl]-7-methyl-2-azatricyclo[3.3.1.13,7]decane-5-carbonitrile

2-(4-chloro-1-methylindazol-3-yl)-1-(5-hydroxy-7-methyl-2-azatricyclo[3.3.1.13,7]decan-2-yl)propan-1-one;2-[2-(4-chloro-1-methylindazol-3-yl)propanoyl]-7-methyl-2-azatricyclo[3.3.1.13,7]decane-5-carbonitrile;2-(4-cyclopropyl-5-fluoro-1-methylindazol-3-yl)-1-(5-hydroxy-7-methyl-2-azatricyclo[3.3.1.13,7]decan-2-yl)propan-1-one;2-[2-(4-cyclopropyl-1-methylindazol-3-yl)propanoyl]-7-methyl-2-azatricyclo[3.3.1.13,7]decane-5-carbonitrile;2-(4-fluoro-1-methylindazol-3-yl)-1-(5-hydroxy-7-methyl-2-azatricyclo[3.3.1.13,7]decan-2-yl)propan-1-one;2-[2-(4-fluoro-1-methylindazol-3-yl)propanoyl]-7-methyl-2-azatricyclo[3.3.1.13,7]decane-5-carbonitrile (PubChem CID 158722300) has the molecular formula C135H162Cl2F3N21O9 and a molecular weight of 2350.82 g/mol. Its IUPAC name is 2-(4-chloro-1-methylindazol-3-yl)-1-(5-hydroxy-7-methyl-2-azatricyclo[3.3.1.13,7]decan-2-yl)propan-1-one;2-[2-(4-chloro-1-methylindazol-3-yl)propanoyl]-7-methyl-2-azatricyclo[3.3.1.13,7]decane-5-carbonitrile;2-(4-cyclopropyl-5-fluoro-1-methylindazol-3-yl)-1-(5-hydroxy-7-methyl-2-azatricyclo[3.3.1.13,7]decan-2-yl)propan-1-one;2-[2-(4-cyclopropyl-1-methylindazol-3-yl)propanoyl]-7-methyl-2-azatricyclo[3.3.1.13,7]decane-5-carbonitrile;2-(4-fluoro-1-methylindazol-3-yl)-1-(5-hydroxy-7-methyl-2-azatricyclo[3.3.1.13,7]decan-2-yl)propan-1-one;2-[2-(4-fluoro-1-methylindazol-3-yl)propanoyl]-7-methyl-2-azatricyclo[3.3.1.13,7]decane-5-carbonitrile.

Molecular Properties

• Compound Name: 2-(4-chloro-1-methylindazol-3-yl)-1-(5-hydroxy-7-methyl-2-azatricyclo[3.3.1.13,7]decan-2-yl)propan-1-one;2-[2-(4-chloro-1-methylindazol-3-yl)propanoyl]-7-methyl-2-azatricyclo[3.3.1.13,7]decane-5-carbonitrile;2-(4-cyclopropyl-5-fluoro-1-methylindazol-3-yl)-1-(5-hydroxy-7-methyl-2-azatricyclo[3.3.1.13,7]decan-2-yl)propan-1-one;2-[2-(4-cyclopropyl-1-methylindazol-3-yl)propanoyl]-7-methyl-2-azatricyclo[3.3.1.13,7]decane-5-carbonitrile;2-(4-fluoro-1-methylindazol-3-yl)-1-(5-hydroxy-7-methyl-2-azatricyclo[3.3.1.13,7]decan-2-yl)propan-1-one;2-[2-(4-fluoro-1-methylindazol-3-yl)propanoyl]-7-methyl-2-azatricyclo[3.3.1.13,7]decane-5-carbonitrile
• PubChem CID: 158722300
• Molecular Formula: C135H162Cl2F3N21O9
• Molecular Weight: 2350.82 g/mol
• Exact Mass: 2348.22
• IUPAC Name: 2-(4-chloro-1-methylindazol-3-yl)-1-(5-hydroxy-7-methyl-2-azatricyclo[3.3.1.13,7]decan-2-yl)propan-1-one;2-[2-(4-chloro-1-methylindazol-3-yl)propanoyl]-7-methyl-2-azatricyclo[3.3.1.13,7]decane-5-carbonitrile;2-(4-cyclopropyl-5-fluoro-1-methylindazol-3-yl)-1-(5-hydroxy-7-methyl-2-azatricyclo[3.3.1.13,7]decan-2-yl)propan-1-one;2-[2-(4-cyclopropyl-1-methylindazol-3-yl)propanoyl]-7-methyl-2-azatricyclo[3.3.1.13,7]decane-5-carbonitrile;2-(4-fluoro-1-methylindazol-3-yl)-1-(5-hydroxy-7-methyl-2-azatricyclo[3.3.1.13,7]decan-2-yl)propan-1-one;2-[2-(4-fluoro-1-methylindazol-3-yl)propanoyl]-7-methyl-2-azatricyclo[3.3.1.13,7]decane-5-carbonitrile
• SMILES: CC(C(=O)N1C2CC3(C)CC1CC(C#N)(C2)C3)c1nn(C)c2cccc(C3CC3)c12.CC(C(=O)N1C2CC3(C)CC1CC(C#N)(C2)C3)c1nn(C)c2cccc(Cl)c12.CC(C(=O)N1C2CC3(C)CC1CC(C#N)(C2)C3)c1nn(C)c2cccc(F)c12.CC(C(=O)N1C2CC3(C)CC1CC(O)(C2)C3)c1nn(C)c2ccc(F)c(C3CC3)c12.CC(C(=O)N1C2CC3(C)CC1CC(O)(C2)C3)c1nn(C)c2cccc(Cl)c12.CC(C(=O)N1C2CC3(C)CC1CC(O)(C2)C3)c1nn(C)c2cccc(F)c12
• InChI: InChI=1S/C25H30N4O.C24H30FN3O2.C22H25ClN4O.C22H25FN4O.C21H26ClN3O2.C21H26FN3O2/c1-15(22-21-19(16-7-8-16)5-4-6-20(21)28(3)27-22)23(30)29-17-9-24(2)10-18(29)12-25(11-17,13-24)14-26;1-13(21-20-18(27(3)26-21)7-6-17(25)19(20)14-4-5-14)22(29)28-15-8-23(2)9-16(28)11-24(30,10-15)12-23;2*1-13(19-18-16(23)5-4-6-17(18)26(3)25-19)20(28)27-14-7-21(2)8-15(27)10-22(9-14,11-21)12-24;2*1-12(18-17-15(22)5-4-6-16(17)24(3)23-18)19(26)25-13-7-20(2)8-14(25)10-21(27,9-13)11-20/h4-6,15-18H,7-13H2,1-3H3;6-7,13-16,30H,4-5,8-12H2,1-3H3;2*4-6,13-15H,7-11H2,1-3H3;2*4-6,12-14,27H,7-11H2,1-3H3
• InChIKey: IKBJJYYIZPTHDO-UHFFFAOYSA-N
• XLogP: 23.64
• TPSA: 360.84 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 24
• Rotatable Bonds: 14
• Heavy Atoms: 170
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2350.82
LogP ≤ 5	23.64
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	24

Frequently Asked Questions

What is the IUPAC name of 2-(4-chloro-1-methylindazol-3-yl)-1-(5-hydroxy-7-methyl-2-azatricyclo[3.3.1.13,7]decan-2-yl)propan-1-one;2-[2-(4-chloro-1-methylindazol-3-yl)propanoyl]-7-methyl-2-azatricyclo[3.3.1.13,7]decane-5-carbonitrile;2-(4-cyclopropyl-5-fluoro-1-methylindazol-3-yl)-1-(5-hydroxy-7-methyl-2-azatricyclo[3.3.1.13,7]decan-2-yl)propan-1-one;2-[2-(4-cyclopropyl-1-methylindazol-3-yl)propanoyl]-7-methyl-2-azatricyclo[3.3.1.13,7]decane-5-carbonitrile;2-(4-fluoro-1-methylindazol-3-yl)-1-(5-hydroxy-7-methyl-2-azatricyclo[3.3.1.13,7]decan-2-yl)propan-1-one;2-[2-(4-fluoro-1-methylindazol-3-yl)propanoyl]-7-methyl-2-azatricyclo[3.3.1.13,7]decane-5-carbonitrile?

The IUPAC name of 2-(4-chloro-1-methylindazol-3-yl)-1-(5-hydroxy-7-methyl-2-azatricyclo[3.3.1.13,7]decan-2-yl)propan-1-one;2-[2-(4-chloro-1-methylindazol-3-yl)propanoyl]-7-methyl-2-azatricyclo[3.3.1.13,7]decane-5-carbonitrile;2-(4-cyclopropyl-5-fluoro-1-methylindazol-3-yl)-1-(5-hydroxy-7-methyl-2-azatricyclo[3.3.1.13,7]decan-2-yl)propan-1-one;2-[2-(4-cyclopropyl-1-methylindazol-3-yl)propanoyl]-7-methyl-2-azatricyclo[3.3.1.13,7]decane-5-carbonitrile;2-(4-fluoro-1-methylindazol-3-yl)-1-(5-hydroxy-7-methyl-2-azatricyclo[3.3.1.13,7]decan-2-yl)propan-1-one;2-[2-(4-fluoro-1-methylindazol-3-yl)propanoyl]-7-methyl-2-azatricyclo[3.3.1.13,7]decane-5-carbonitrile (CID 158722300) is 2-(4-chloro-1-methylindazol-3-yl)-1-(5-hydroxy-7-methyl-2-azatricyclo[3.3.1.13,7]decan-2-yl)propan-1-one;2-[2-(4-chloro-1-methylindazol-3-yl)propanoyl]-7-methyl-2-azatricyclo[3.3.1.13,7]decane-5-carbonitrile;2-(4-cyclopropyl-5-fluoro-1-methylindazol-3-yl)-1-(5-hydroxy-7-methyl-2-azatricyclo[3.3.1.13,7]decan-2-yl)propan-1-one;2-[2-(4-cyclopropyl-1-methylindazol-3-yl)propanoyl]-7-methyl-2-azatricyclo[3.3.1.13,7]decane-5-carbonitrile;2-(4-fluoro-1-methylindazol-3-yl)-1-(5-hydroxy-7-methyl-2-azatricyclo[3.3.1.13,7]decan-2-yl)propan-1-one;2-[2-(4-fluoro-1-methylindazol-3-yl)propanoyl]-7-methyl-2-azatricyclo[3.3.1.13,7]decane-5-carbonitrile.

What is the SMILES notation for 2-(4-chloro-1-methylindazol-3-yl)-1-(5-hydroxy-7-methyl-2-azatricyclo[3.3.1.13,7]decan-2-yl)propan-1-one;2-[2-(4-chloro-1-methylindazol-3-yl)propanoyl]-7-methyl-2-azatricyclo[3.3.1.13,7]decane-5-carbonitrile;2-(4-cyclopropyl-5-fluoro-1-methylindazol-3-yl)-1-(5-hydroxy-7-methyl-2-azatricyclo[3.3.1.13,7]decan-2-yl)propan-1-one;2-[2-(4-cyclopropyl-1-methylindazol-3-yl)propanoyl]-7-methyl-2-azatricyclo[3.3.1.13,7]decane-5-carbonitrile;2-(4-fluoro-1-methylindazol-3-yl)-1-(5-hydroxy-7-methyl-2-azatricyclo[3.3.1.13,7]decan-2-yl)propan-1-one;2-[2-(4-fluoro-1-methylindazol-3-yl)propanoyl]-7-methyl-2-azatricyclo[3.3.1.13,7]decane-5-carbonitrile?

The canonical SMILES for 2-(4-chloro-1-methylindazol-3-yl)-1-(5-hydroxy-7-methyl-2-azatricyclo[3.3.1.13,7]decan-2-yl)propan-1-one;2-[2-(4-chloro-1-methylindazol-3-yl)propanoyl]-7-methyl-2-azatricyclo[3.3.1.13,7]decane-5-carbonitrile;2-(4-cyclopropyl-5-fluoro-1-methylindazol-3-yl)-1-(5-hydroxy-7-methyl-2-azatricyclo[3.3.1.13,7]decan-2-yl)propan-1-one;2-[2-(4-cyclopropyl-1-methylindazol-3-yl)propanoyl]-7-methyl-2-azatricyclo[3.3.1.13,7]decane-5-carbonitrile;2-(4-fluoro-1-methylindazol-3-yl)-1-(5-hydroxy-7-methyl-2-azatricyclo[3.3.1.13,7]decan-2-yl)propan-1-one;2-[2-(4-fluoro-1-methylindazol-3-yl)propanoyl]-7-methyl-2-azatricyclo[3.3.1.13,7]decane-5-carbonitrile is CC(C(=O)N1C2CC3(C)CC1CC(C#N)(C2)C3)c1nn(C)c2cccc(C3CC3)c12.CC(C(=O)N1C2CC3(C)CC1CC(C#N)(C2)C3)c1nn(C)c2cccc(Cl)c12.CC(C(=O)N1C2CC3(C)CC1CC(C#N)(C2)C3)c1nn(C)c2cccc(F)c12.CC(C(=O)N1C2CC3(C)CC1CC(O)(C2)C3)c1nn(C)c2ccc(F)c(C3CC3)c12.CC(C(=O)N1C2CC3(C)CC1CC(O)(C2)C3)c1nn(C)c2cccc(Cl)c12.CC(C(=O)N1C2CC3(C)CC1CC(O)(C2)C3)c1nn(C)c2cccc(F)c12.

What is the InChIKey of 2-(4-chloro-1-methylindazol-3-yl)-1-(5-hydroxy-7-methyl-2-azatricyclo[3.3.1.13,7]decan-2-yl)propan-1-one;2-[2-(4-chloro-1-methylindazol-3-yl)propanoyl]-7-methyl-2-azatricyclo[3.3.1.13,7]decane-5-carbonitrile;2-(4-cyclopropyl-5-fluoro-1-methylindazol-3-yl)-1-(5-hydroxy-7-methyl-2-azatricyclo[3.3.1.13,7]decan-2-yl)propan-1-one;2-[2-(4-cyclopropyl-1-methylindazol-3-yl)propanoyl]-7-methyl-2-azatricyclo[3.3.1.13,7]decane-5-carbonitrile;2-(4-fluoro-1-methylindazol-3-yl)-1-(5-hydroxy-7-methyl-2-azatricyclo[3.3.1.13,7]decan-2-yl)propan-1-one;2-[2-(4-fluoro-1-methylindazol-3-yl)propanoyl]-7-methyl-2-azatricyclo[3.3.1.13,7]decane-5-carbonitrile?

The InChIKey is IKBJJYYIZPTHDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30N4O.C24H30FN3O2.C22H25ClN4O.C22H25FN4O.C21H26ClN3O2.C21H26FN3O2/c1-15(22-21-19(16-7-8-16)5-4-6-20(21)28(3)27-22)23(30)29-17-9-24(2)10-18(29)12-25(11-17,13-24)14-26;1-13(21-20-18(27(3)26-21)7-6-17(25)19(20)14-4-5-14)22(29)28-15-8-23(2)9-16(28)11-24(30,10-15)12-23;2*1-13(19-18-16(23)5-4-6-17(18)26(3)25-19)20(28)27-14-7-21(2)8-15(27)10-22(9-14,11-21)12-24;2*1-12(18-17-15(22)5-4-6-16(17)24(3)23-18)19(26)25-13-7-20(2)8-14(25)10-21(27,9-13)11-20/h4-6,15-18H,7-13H2,1-3H3;6-7,13-16,30H,4-5,8-12H2,1-3H3;2*4-6,13-15H,7-11H2,1-3H3;2*4-6,12-14,27H,7-11H2,1-3H3.

What are the key properties of 2-(4-chloro-1-methylindazol-3-yl)-1-(5-hydroxy-7-methyl-2-azatricyclo[3.3.1.13,7]decan-2-yl)propan-1-one;2-[2-(4-chloro-1-methylindazol-3-yl)propanoyl]-7-methyl-2-azatricyclo[3.3.1.13,7]decane-5-carbonitrile;2-(4-cyclopropyl-5-fluoro-1-methylindazol-3-yl)-1-(5-hydroxy-7-methyl-2-azatricyclo[3.3.1.13,7]decan-2-yl)propan-1-one;2-[2-(4-cyclopropyl-1-methylindazol-3-yl)propanoyl]-7-methyl-2-azatricyclo[3.3.1.13,7]decane-5-carbonitrile;2-(4-fluoro-1-methylindazol-3-yl)-1-(5-hydroxy-7-methyl-2-azatricyclo[3.3.1.13,7]decan-2-yl)propan-1-one;2-[2-(4-fluoro-1-methylindazol-3-yl)propanoyl]-7-methyl-2-azatricyclo[3.3.1.13,7]decane-5-carbonitrile?

2-(4-chloro-1-methylindazol-3-yl)-1-(5-hydroxy-7-methyl-2-azatricyclo[3.3.1.13,7]decan-2-yl)propan-1-one;2-[2-(4-chloro-1-methylindazol-3-yl)propanoyl]-7-methyl-2-azatricyclo[3.3.1.13,7]decane-5-carbonitrile;2-(4-cyclopropyl-5-fluoro-1-methylindazol-3-yl)-1-(5-hydroxy-7-methyl-2-azatricyclo[3.3.1.13,7]decan-2-yl)propan-1-one;2-[2-(4-cyclopropyl-1-methylindazol-3-yl)propanoyl]-7-methyl-2-azatricyclo[3.3.1.13,7]decane-5-carbonitrile;2-(4-fluoro-1-methylindazol-3-yl)-1-(5-hydroxy-7-methyl-2-azatricyclo[3.3.1.13,7]decan-2-yl)propan-1-one;2-[2-(4-fluoro-1-methylindazol-3-yl)propanoyl]-7-methyl-2-azatricyclo[3.3.1.13,7]decane-5-carbonitrile has a molecular weight of 2350.82 g/mol, XLogP of 23.64, 14 rotatable bonds, 3 hydrogen bond donors, and 24 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(4-chloro-1-methylindazol-3-yl)-1-(5-hydroxy-7-methyl-2-azatricyclo[3.3.1.13,7]decan-2-yl)propan-1-one;2-[2-(4-chloro-1-methylindazol-3-yl)propanoyl]-7-methyl-2-azatricyclo[3.3.1.13,7]decane-5-carbonitrile;2-(4-cyclopropyl-5-fluoro-1-methylindazol-3-yl)-1-(5-hydroxy-7-methyl-2-azatricyclo[3.3.1.13,7]decan-2-yl)propan-1-one;2-[2-(4-cyclopropyl-1-methylindazol-3-yl)propanoyl]-7-methyl-2-azatricyclo[3.3.1.13,7]decane-5-carbonitrile;2-(4-fluoro-1-methylindazol-3-yl)-1-(5-hydroxy-7-methyl-2-azatricyclo[3.3.1.13,7]decan-2-yl)propan-1-one;2-[2-(4-fluoro-1-methylindazol-3-yl)propanoyl]-7-methyl-2-azatricyclo[3.3.1.13,7]decane-5-carbonitrile is sourced from PubChem (CID 158722300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).