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

C129H151Cl2F2N21O9 — CID 157356743

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

2-(4-chloro-1-methylindazol-3-yl)-1-(5-hydroxy-2-azatricyclo[3.3.1.13,7]decan-2-yl)propan-1-one;2-[2-(4-chloro-1-methylindazol-3-yl)propanoyl]-2-azatricyclo[3.3.1.13,7]decane-5-carbonitrile;2-(4-cyclopropyl-1-methylindazol-3-yl)-1-(5-hydroxy-2-azatricyclo[3.3.1.13,7]decan-2-yl)propan-1-one;2-[2-(4-cyclopropyl-1-methylindazol-3-yl)propanoyl]-2-azatricyclo[3.3.1.13,7]decane-5-carbonitrile;2-(4-fluoro-1-methylindazol-3-yl)-1-(5-hydroxy-2-azatricyclo[3.3.1.13,7]decan-2-yl)propan-1-one;2-[2-(4-fluoro-1-methylindazol-3-yl)propanoyl]-2-azatricyclo[3.3.1.13,7]decane-5-carbonitrile (PubChem CID 157356743) has the molecular formula C129H151Cl2F2N21O9 and a molecular weight of 2248.67 g/mol. Its IUPAC name is 2-(4-chloro-1-methylindazol-3-yl)-1-(5-hydroxy-2-azatricyclo[3.3.1.13,7]decan-2-yl)propan-1-one;2-[2-(4-chloro-1-methylindazol-3-yl)propanoyl]-2-azatricyclo[3.3.1.13,7]decane-5-carbonitrile;2-(4-cyclopropyl-1-methylindazol-3-yl)-1-(5-hydroxy-2-azatricyclo[3.3.1.13,7]decan-2-yl)propan-1-one;2-[2-(4-cyclopropyl-1-methylindazol-3-yl)propanoyl]-2-azatricyclo[3.3.1.13,7]decane-5-carbonitrile;2-(4-fluoro-1-methylindazol-3-yl)-1-(5-hydroxy-2-azatricyclo[3.3.1.13,7]decan-2-yl)propan-1-one;2-[2-(4-fluoro-1-methylindazol-3-yl)propanoyl]-2-azatricyclo[3.3.1.13,7]decane-5-carbonitrile.

Molecular Properties

• Compound Name: 2-(4-chloro-1-methylindazol-3-yl)-1-(5-hydroxy-2-azatricyclo[3.3.1.13,7]decan-2-yl)propan-1-one;2-[2-(4-chloro-1-methylindazol-3-yl)propanoyl]-2-azatricyclo[3.3.1.13,7]decane-5-carbonitrile;2-(4-cyclopropyl-1-methylindazol-3-yl)-1-(5-hydroxy-2-azatricyclo[3.3.1.13,7]decan-2-yl)propan-1-one;2-[2-(4-cyclopropyl-1-methylindazol-3-yl)propanoyl]-2-azatricyclo[3.3.1.13,7]decane-5-carbonitrile;2-(4-fluoro-1-methylindazol-3-yl)-1-(5-hydroxy-2-azatricyclo[3.3.1.13,7]decan-2-yl)propan-1-one;2-[2-(4-fluoro-1-methylindazol-3-yl)propanoyl]-2-azatricyclo[3.3.1.13,7]decane-5-carbonitrile
• PubChem CID: 157356743
• Molecular Formula: C129H151Cl2F2N21O9
• Molecular Weight: 2248.67 g/mol
• Exact Mass: 2246.13
• IUPAC Name: 2-(4-chloro-1-methylindazol-3-yl)-1-(5-hydroxy-2-azatricyclo[3.3.1.13,7]decan-2-yl)propan-1-one;2-[2-(4-chloro-1-methylindazol-3-yl)propanoyl]-2-azatricyclo[3.3.1.13,7]decane-5-carbonitrile;2-(4-cyclopropyl-1-methylindazol-3-yl)-1-(5-hydroxy-2-azatricyclo[3.3.1.13,7]decan-2-yl)propan-1-one;2-[2-(4-cyclopropyl-1-methylindazol-3-yl)propanoyl]-2-azatricyclo[3.3.1.13,7]decane-5-carbonitrile;2-(4-fluoro-1-methylindazol-3-yl)-1-(5-hydroxy-2-azatricyclo[3.3.1.13,7]decan-2-yl)propan-1-one;2-[2-(4-fluoro-1-methylindazol-3-yl)propanoyl]-2-azatricyclo[3.3.1.13,7]decane-5-carbonitrile
• SMILES: CC(C(=O)N1C2CC3CC1CC(C#N)(C3)C2)c1nn(C)c2cccc(C3CC3)c12.CC(C(=O)N1C2CC3CC1CC(C#N)(C3)C2)c1nn(C)c2cccc(Cl)c12.CC(C(=O)N1C2CC3CC1CC(C#N)(C3)C2)c1nn(C)c2cccc(F)c12.CC(C(=O)N1C2CC3CC1CC(O)(C3)C2)c1nn(C)c2cccc(C3CC3)c12.CC(C(=O)N1C2CC3CC1CC(O)(C3)C2)c1nn(C)c2cccc(Cl)c12.CC(C(=O)N1C2CC3CC1CC(O)(C3)C2)c1nn(C)c2cccc(F)c12
• InChI: InChI=1S/C24H28N4O.C23H29N3O2.C21H23ClN4O.C21H23FN4O.C20H24ClN3O2.C20H24FN3O2/c1-14(22-21-19(16-6-7-16)4-3-5-20(21)27(2)26-22)23(29)28-17-8-15-9-18(28)12-24(10-15,11-17)13-25;1-13(21-20-18(15-6-7-15)4-3-5-19(20)25(2)24-21)22(27)26-16-8-14-9-17(26)12-23(28,10-14)11-16;2*1-12(19-18-16(22)4-3-5-17(18)25(2)24-19)20(27)26-14-6-13-7-15(26)10-21(8-13,9-14)11-23;2*1-11(18-17-15(21)4-3-5-16(17)23(2)22-18)19(25)24-13-6-12-7-14(24)10-20(26,8-12)9-13/h3-5,14-18H,6-12H2,1-2H3;3-5,13-17,28H,6-12H2,1-2H3;2*3-5,12-15H,6-10H2,1-2H3;2*3-5,11-14,26H,6-10H2,1-2H3
• InChIKey: BIECULPNVLLDOM-UHFFFAOYSA-N
• XLogP: 21.16
• TPSA: 360.84 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 24
• Rotatable Bonds: 14
• Heavy Atoms: 163
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2248.67
LogP ≤ 5	21.16
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-2-azatricyclo[3.3.1.13,7]decan-2-yl)propan-1-one;2-[2-(4-chloro-1-methylindazol-3-yl)propanoyl]-2-azatricyclo[3.3.1.13,7]decane-5-carbonitrile;2-(4-cyclopropyl-1-methylindazol-3-yl)-1-(5-hydroxy-2-azatricyclo[3.3.1.13,7]decan-2-yl)propan-1-one;2-[2-(4-cyclopropyl-1-methylindazol-3-yl)propanoyl]-2-azatricyclo[3.3.1.13,7]decane-5-carbonitrile;2-(4-fluoro-1-methylindazol-3-yl)-1-(5-hydroxy-2-azatricyclo[3.3.1.13,7]decan-2-yl)propan-1-one;2-[2-(4-fluoro-1-methylindazol-3-yl)propanoyl]-2-azatricyclo[3.3.1.13,7]decane-5-carbonitrile?

The IUPAC name of 2-(4-chloro-1-methylindazol-3-yl)-1-(5-hydroxy-2-azatricyclo[3.3.1.13,7]decan-2-yl)propan-1-one;2-[2-(4-chloro-1-methylindazol-3-yl)propanoyl]-2-azatricyclo[3.3.1.13,7]decane-5-carbonitrile;2-(4-cyclopropyl-1-methylindazol-3-yl)-1-(5-hydroxy-2-azatricyclo[3.3.1.13,7]decan-2-yl)propan-1-one;2-[2-(4-cyclopropyl-1-methylindazol-3-yl)propanoyl]-2-azatricyclo[3.3.1.13,7]decane-5-carbonitrile;2-(4-fluoro-1-methylindazol-3-yl)-1-(5-hydroxy-2-azatricyclo[3.3.1.13,7]decan-2-yl)propan-1-one;2-[2-(4-fluoro-1-methylindazol-3-yl)propanoyl]-2-azatricyclo[3.3.1.13,7]decane-5-carbonitrile (CID 157356743) is 2-(4-chloro-1-methylindazol-3-yl)-1-(5-hydroxy-2-azatricyclo[3.3.1.13,7]decan-2-yl)propan-1-one;2-[2-(4-chloro-1-methylindazol-3-yl)propanoyl]-2-azatricyclo[3.3.1.13,7]decane-5-carbonitrile;2-(4-cyclopropyl-1-methylindazol-3-yl)-1-(5-hydroxy-2-azatricyclo[3.3.1.13,7]decan-2-yl)propan-1-one;2-[2-(4-cyclopropyl-1-methylindazol-3-yl)propanoyl]-2-azatricyclo[3.3.1.13,7]decane-5-carbonitrile;2-(4-fluoro-1-methylindazol-3-yl)-1-(5-hydroxy-2-azatricyclo[3.3.1.13,7]decan-2-yl)propan-1-one;2-[2-(4-fluoro-1-methylindazol-3-yl)propanoyl]-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-2-azatricyclo[3.3.1.13,7]decan-2-yl)propan-1-one;2-[2-(4-chloro-1-methylindazol-3-yl)propanoyl]-2-azatricyclo[3.3.1.13,7]decane-5-carbonitrile;2-(4-cyclopropyl-1-methylindazol-3-yl)-1-(5-hydroxy-2-azatricyclo[3.3.1.13,7]decan-2-yl)propan-1-one;2-[2-(4-cyclopropyl-1-methylindazol-3-yl)propanoyl]-2-azatricyclo[3.3.1.13,7]decane-5-carbonitrile;2-(4-fluoro-1-methylindazol-3-yl)-1-(5-hydroxy-2-azatricyclo[3.3.1.13,7]decan-2-yl)propan-1-one;2-[2-(4-fluoro-1-methylindazol-3-yl)propanoyl]-2-azatricyclo[3.3.1.13,7]decane-5-carbonitrile?

The canonical SMILES for 2-(4-chloro-1-methylindazol-3-yl)-1-(5-hydroxy-2-azatricyclo[3.3.1.13,7]decan-2-yl)propan-1-one;2-[2-(4-chloro-1-methylindazol-3-yl)propanoyl]-2-azatricyclo[3.3.1.13,7]decane-5-carbonitrile;2-(4-cyclopropyl-1-methylindazol-3-yl)-1-(5-hydroxy-2-azatricyclo[3.3.1.13,7]decan-2-yl)propan-1-one;2-[2-(4-cyclopropyl-1-methylindazol-3-yl)propanoyl]-2-azatricyclo[3.3.1.13,7]decane-5-carbonitrile;2-(4-fluoro-1-methylindazol-3-yl)-1-(5-hydroxy-2-azatricyclo[3.3.1.13,7]decan-2-yl)propan-1-one;2-[2-(4-fluoro-1-methylindazol-3-yl)propanoyl]-2-azatricyclo[3.3.1.13,7]decane-5-carbonitrile is CC(C(=O)N1C2CC3CC1CC(C#N)(C3)C2)c1nn(C)c2cccc(C3CC3)c12.CC(C(=O)N1C2CC3CC1CC(C#N)(C3)C2)c1nn(C)c2cccc(Cl)c12.CC(C(=O)N1C2CC3CC1CC(C#N)(C3)C2)c1nn(C)c2cccc(F)c12.CC(C(=O)N1C2CC3CC1CC(O)(C3)C2)c1nn(C)c2cccc(C3CC3)c12.CC(C(=O)N1C2CC3CC1CC(O)(C3)C2)c1nn(C)c2cccc(Cl)c12.CC(C(=O)N1C2CC3CC1CC(O)(C3)C2)c1nn(C)c2cccc(F)c12.

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

The InChIKey is BIECULPNVLLDOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N4O.C23H29N3O2.C21H23ClN4O.C21H23FN4O.C20H24ClN3O2.C20H24FN3O2/c1-14(22-21-19(16-6-7-16)4-3-5-20(21)27(2)26-22)23(29)28-17-8-15-9-18(28)12-24(10-15,11-17)13-25;1-13(21-20-18(15-6-7-15)4-3-5-19(20)25(2)24-21)22(27)26-16-8-14-9-17(26)12-23(28,10-14)11-16;2*1-12(19-18-16(22)4-3-5-17(18)25(2)24-19)20(27)26-14-6-13-7-15(26)10-21(8-13,9-14)11-23;2*1-11(18-17-15(21)4-3-5-16(17)23(2)22-18)19(25)24-13-6-12-7-14(24)10-20(26,8-12)9-13/h3-5,14-18H,6-12H2,1-2H3;3-5,13-17,28H,6-12H2,1-2H3;2*3-5,12-15H,6-10H2,1-2H3;2*3-5,11-14,26H,6-10H2,1-2H3.

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

2-(4-chloro-1-methylindazol-3-yl)-1-(5-hydroxy-2-azatricyclo[3.3.1.13,7]decan-2-yl)propan-1-one;2-[2-(4-chloro-1-methylindazol-3-yl)propanoyl]-2-azatricyclo[3.3.1.13,7]decane-5-carbonitrile;2-(4-cyclopropyl-1-methylindazol-3-yl)-1-(5-hydroxy-2-azatricyclo[3.3.1.13,7]decan-2-yl)propan-1-one;2-[2-(4-cyclopropyl-1-methylindazol-3-yl)propanoyl]-2-azatricyclo[3.3.1.13,7]decane-5-carbonitrile;2-(4-fluoro-1-methylindazol-3-yl)-1-(5-hydroxy-2-azatricyclo[3.3.1.13,7]decan-2-yl)propan-1-one;2-[2-(4-fluoro-1-methylindazol-3-yl)propanoyl]-2-azatricyclo[3.3.1.13,7]decane-5-carbonitrile has a molecular weight of 2248.67 g/mol, XLogP of 21.16, 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-2-azatricyclo[3.3.1.13,7]decan-2-yl)propan-1-one;2-[2-(4-chloro-1-methylindazol-3-yl)propanoyl]-2-azatricyclo[3.3.1.13,7]decane-5-carbonitrile;2-(4-cyclopropyl-1-methylindazol-3-yl)-1-(5-hydroxy-2-azatricyclo[3.3.1.13,7]decan-2-yl)propan-1-one;2-[2-(4-cyclopropyl-1-methylindazol-3-yl)propanoyl]-2-azatricyclo[3.3.1.13,7]decane-5-carbonitrile;2-(4-fluoro-1-methylindazol-3-yl)-1-(5-hydroxy-2-azatricyclo[3.3.1.13,7]decan-2-yl)propan-1-one;2-[2-(4-fluoro-1-methylindazol-3-yl)propanoyl]-2-azatricyclo[3.3.1.13,7]decane-5-carbonitrile is sourced from PubChem (CID 157356743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).