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

C139H166Cl2F5N21O10 — CID 158768227

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

2-[3-(4-chloro-5-fluoro-1-methylindazol-3-yl)butanoyl]-2-azatricyclo[3.3.1.13,7]decane-5-carbonitrile;3-(4-chloro-5-fluoro-1-methylindazol-3-yl)-1-(5-hydroxy-2-azatricyclo[3.3.1.13,7]decan-2-yl)butan-1-one;2-[3-(4-cyclopropyl-5-fluoro-1-methylindazol-3-yl)butanoyl]-2-azatricyclo[3.3.1.13,7]decane-5-carbonitrile;3-(4-cyclopropyl-5-fluoro-1-methylindazol-3-yl)-1-(5-hydroxy-2-azatricyclo[3.3.1.13,7]decan-2-yl)butan-1-one;3-(4-cyclopropyl-5-methoxy-1-methylindazol-3-yl)-1-(5-hydroxy-2-azatricyclo[3.3.1.13,7]decan-2-yl)butan-1-one;2-[3-(4-fluoro-1-methylindazol-3-yl)butanoyl]-2-azatricyclo[3.3.1.13,7]decane-5-carbonitrile (PubChem CID 158768227) has the molecular formula C139H166Cl2F5N21O10 and a molecular weight of 2456.89 g/mol. Its IUPAC name is 2-[3-(4-chloro-5-fluoro-1-methylindazol-3-yl)butanoyl]-2-azatricyclo[3.3.1.13,7]decane-5-carbonitrile;3-(4-chloro-5-fluoro-1-methylindazol-3-yl)-1-(5-hydroxy-2-azatricyclo[3.3.1.13,7]decan-2-yl)butan-1-one;2-[3-(4-cyclopropyl-5-fluoro-1-methylindazol-3-yl)butanoyl]-2-azatricyclo[3.3.1.13,7]decane-5-carbonitrile;3-(4-cyclopropyl-5-fluoro-1-methylindazol-3-yl)-1-(5-hydroxy-2-azatricyclo[3.3.1.13,7]decan-2-yl)butan-1-one;3-(4-cyclopropyl-5-methoxy-1-methylindazol-3-yl)-1-(5-hydroxy-2-azatricyclo[3.3.1.13,7]decan-2-yl)butan-1-one;2-[3-(4-fluoro-1-methylindazol-3-yl)butanoyl]-2-azatricyclo[3.3.1.13,7]decane-5-carbonitrile.

Molecular Properties

• Compound Name: 2-[3-(4-chloro-5-fluoro-1-methylindazol-3-yl)butanoyl]-2-azatricyclo[3.3.1.13,7]decane-5-carbonitrile;3-(4-chloro-5-fluoro-1-methylindazol-3-yl)-1-(5-hydroxy-2-azatricyclo[3.3.1.13,7]decan-2-yl)butan-1-one;2-[3-(4-cyclopropyl-5-fluoro-1-methylindazol-3-yl)butanoyl]-2-azatricyclo[3.3.1.13,7]decane-5-carbonitrile;3-(4-cyclopropyl-5-fluoro-1-methylindazol-3-yl)-1-(5-hydroxy-2-azatricyclo[3.3.1.13,7]decan-2-yl)butan-1-one;3-(4-cyclopropyl-5-methoxy-1-methylindazol-3-yl)-1-(5-hydroxy-2-azatricyclo[3.3.1.13,7]decan-2-yl)butan-1-one;2-[3-(4-fluoro-1-methylindazol-3-yl)butanoyl]-2-azatricyclo[3.3.1.13,7]decane-5-carbonitrile
• PubChem CID: 158768227
• Molecular Formula: C139H166Cl2F5N21O10
• Molecular Weight: 2456.89 g/mol
• Exact Mass: 2454.24
• IUPAC Name: 2-[3-(4-chloro-5-fluoro-1-methylindazol-3-yl)butanoyl]-2-azatricyclo[3.3.1.13,7]decane-5-carbonitrile;3-(4-chloro-5-fluoro-1-methylindazol-3-yl)-1-(5-hydroxy-2-azatricyclo[3.3.1.13,7]decan-2-yl)butan-1-one;2-[3-(4-cyclopropyl-5-fluoro-1-methylindazol-3-yl)butanoyl]-2-azatricyclo[3.3.1.13,7]decane-5-carbonitrile;3-(4-cyclopropyl-5-fluoro-1-methylindazol-3-yl)-1-(5-hydroxy-2-azatricyclo[3.3.1.13,7]decan-2-yl)butan-1-one;3-(4-cyclopropyl-5-methoxy-1-methylindazol-3-yl)-1-(5-hydroxy-2-azatricyclo[3.3.1.13,7]decan-2-yl)butan-1-one;2-[3-(4-fluoro-1-methylindazol-3-yl)butanoyl]-2-azatricyclo[3.3.1.13,7]decane-5-carbonitrile
• SMILES: CC(CC(=O)N1C2CC3CC1CC(C#N)(C3)C2)c1nn(C)c2ccc(F)c(C3CC3)c12.CC(CC(=O)N1C2CC3CC1CC(C#N)(C3)C2)c1nn(C)c2ccc(F)c(Cl)c12.CC(CC(=O)N1C2CC3CC1CC(C#N)(C3)C2)c1nn(C)c2cccc(F)c12.CC(CC(=O)N1C2CC3CC1CC(O)(C3)C2)c1nn(C)c2ccc(F)c(C3CC3)c12.CC(CC(=O)N1C2CC3CC1CC(O)(C3)C2)c1nn(C)c2ccc(F)c(Cl)c12.COc1ccc2c(c(C(C)CC(=O)N3C4CC5CC3CC(O)(C5)C4)nn2C)c1C1CC1
• InChI: InChI=1S/C25H29FN4O.C25H33N3O3.C24H30FN3O2.C22H24ClFN4O.C22H25FN4O.C21H25ClFN3O2/c1-14(24-23-20(29(2)28-24)6-5-19(26)22(23)16-3-4-16)7-21(31)30-17-8-15-9-18(30)12-25(10-15,11-17)13-27;1-14(8-21(29)28-17-9-15-10-18(28)13-25(30,11-15)12-17)24-23-19(27(2)26-24)6-7-20(31-3)22(23)16-4-5-16;1-13(7-20(29)28-16-8-14-9-17(28)12-24(30,10-14)11-16)23-22-19(27(2)26-23)6-5-18(25)21(22)15-3-4-15;1-12(21-19-17(27(2)26-21)4-3-16(24)20(19)23)5-18(29)28-14-6-13-7-15(28)10-22(8-13,9-14)11-25;1-13(21-20-17(23)4-3-5-18(20)26(2)25-21)6-19(28)27-15-7-14-8-16(27)11-22(9-14,10-15)12-24;1-11(20-18-16(25(2)24-20)4-3-15(23)19(18)22)5-17(27)26-13-6-12-7-14(26)10-21(28,8-12)9-13/h5-6,14-18H,3-4,7-12H2,1-2H3;6-7,14-18,30H,4-5,8-13H2,1-3H3;5-6,13-17,30H,3-4,7-12H2,1-2H3;3-4,12-15H,5-10H2,1-2H3;3-5,13-16H,6-11H2,1-2H3;3-4,11-14,28H,5-10H2,1-2H3
• InChIKey: IPNLUZNCHYTIGU-UHFFFAOYSA-N
• XLogP: 24.81
• TPSA: 370.07 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 25
• Rotatable Bonds: 22
• Heavy Atoms: 177
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2456.89
LogP ≤ 5	24.81
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	25

Frequently Asked Questions

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

The IUPAC name of 2-[3-(4-chloro-5-fluoro-1-methylindazol-3-yl)butanoyl]-2-azatricyclo[3.3.1.13,7]decane-5-carbonitrile;3-(4-chloro-5-fluoro-1-methylindazol-3-yl)-1-(5-hydroxy-2-azatricyclo[3.3.1.13,7]decan-2-yl)butan-1-one;2-[3-(4-cyclopropyl-5-fluoro-1-methylindazol-3-yl)butanoyl]-2-azatricyclo[3.3.1.13,7]decane-5-carbonitrile;3-(4-cyclopropyl-5-fluoro-1-methylindazol-3-yl)-1-(5-hydroxy-2-azatricyclo[3.3.1.13,7]decan-2-yl)butan-1-one;3-(4-cyclopropyl-5-methoxy-1-methylindazol-3-yl)-1-(5-hydroxy-2-azatricyclo[3.3.1.13,7]decan-2-yl)butan-1-one;2-[3-(4-fluoro-1-methylindazol-3-yl)butanoyl]-2-azatricyclo[3.3.1.13,7]decane-5-carbonitrile (CID 158768227) is 2-[3-(4-chloro-5-fluoro-1-methylindazol-3-yl)butanoyl]-2-azatricyclo[3.3.1.13,7]decane-5-carbonitrile;3-(4-chloro-5-fluoro-1-methylindazol-3-yl)-1-(5-hydroxy-2-azatricyclo[3.3.1.13,7]decan-2-yl)butan-1-one;2-[3-(4-cyclopropyl-5-fluoro-1-methylindazol-3-yl)butanoyl]-2-azatricyclo[3.3.1.13,7]decane-5-carbonitrile;3-(4-cyclopropyl-5-fluoro-1-methylindazol-3-yl)-1-(5-hydroxy-2-azatricyclo[3.3.1.13,7]decan-2-yl)butan-1-one;3-(4-cyclopropyl-5-methoxy-1-methylindazol-3-yl)-1-(5-hydroxy-2-azatricyclo[3.3.1.13,7]decan-2-yl)butan-1-one;2-[3-(4-fluoro-1-methylindazol-3-yl)butanoyl]-2-azatricyclo[3.3.1.13,7]decane-5-carbonitrile.

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

The canonical SMILES for 2-[3-(4-chloro-5-fluoro-1-methylindazol-3-yl)butanoyl]-2-azatricyclo[3.3.1.13,7]decane-5-carbonitrile;3-(4-chloro-5-fluoro-1-methylindazol-3-yl)-1-(5-hydroxy-2-azatricyclo[3.3.1.13,7]decan-2-yl)butan-1-one;2-[3-(4-cyclopropyl-5-fluoro-1-methylindazol-3-yl)butanoyl]-2-azatricyclo[3.3.1.13,7]decane-5-carbonitrile;3-(4-cyclopropyl-5-fluoro-1-methylindazol-3-yl)-1-(5-hydroxy-2-azatricyclo[3.3.1.13,7]decan-2-yl)butan-1-one;3-(4-cyclopropyl-5-methoxy-1-methylindazol-3-yl)-1-(5-hydroxy-2-azatricyclo[3.3.1.13,7]decan-2-yl)butan-1-one;2-[3-(4-fluoro-1-methylindazol-3-yl)butanoyl]-2-azatricyclo[3.3.1.13,7]decane-5-carbonitrile is CC(CC(=O)N1C2CC3CC1CC(C#N)(C3)C2)c1nn(C)c2ccc(F)c(C3CC3)c12.CC(CC(=O)N1C2CC3CC1CC(C#N)(C3)C2)c1nn(C)c2ccc(F)c(Cl)c12.CC(CC(=O)N1C2CC3CC1CC(C#N)(C3)C2)c1nn(C)c2cccc(F)c12.CC(CC(=O)N1C2CC3CC1CC(O)(C3)C2)c1nn(C)c2ccc(F)c(C3CC3)c12.CC(CC(=O)N1C2CC3CC1CC(O)(C3)C2)c1nn(C)c2ccc(F)c(Cl)c12.COc1ccc2c(c(C(C)CC(=O)N3C4CC5CC3CC(O)(C5)C4)nn2C)c1C1CC1.

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

The InChIKey is IPNLUZNCHYTIGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29FN4O.C25H33N3O3.C24H30FN3O2.C22H24ClFN4O.C22H25FN4O.C21H25ClFN3O2/c1-14(24-23-20(29(2)28-24)6-5-19(26)22(23)16-3-4-16)7-21(31)30-17-8-15-9-18(30)12-25(10-15,11-17)13-27;1-14(8-21(29)28-17-9-15-10-18(28)13-25(30,11-15)12-17)24-23-19(27(2)26-24)6-7-20(31-3)22(23)16-4-5-16;1-13(7-20(29)28-16-8-14-9-17(28)12-24(30,10-14)11-16)23-22-19(27(2)26-23)6-5-18(25)21(22)15-3-4-15;1-12(21-19-17(27(2)26-21)4-3-16(24)20(19)23)5-18(29)28-14-6-13-7-15(28)10-22(8-13,9-14)11-25;1-13(21-20-17(23)4-3-5-18(20)26(2)25-21)6-19(28)27-15-7-14-8-16(27)11-22(9-14,10-15)12-24;1-11(20-18-16(25(2)24-20)4-3-15(23)19(18)22)5-17(27)26-13-6-12-7-14(26)10-21(28,8-12)9-13/h5-6,14-18H,3-4,7-12H2,1-2H3;6-7,14-18,30H,4-5,8-13H2,1-3H3;5-6,13-17,30H,3-4,7-12H2,1-2H3;3-4,12-15H,5-10H2,1-2H3;3-5,13-16H,6-11H2,1-2H3;3-4,11-14,28H,5-10H2,1-2H3.

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

2-[3-(4-chloro-5-fluoro-1-methylindazol-3-yl)butanoyl]-2-azatricyclo[3.3.1.13,7]decane-5-carbonitrile;3-(4-chloro-5-fluoro-1-methylindazol-3-yl)-1-(5-hydroxy-2-azatricyclo[3.3.1.13,7]decan-2-yl)butan-1-one;2-[3-(4-cyclopropyl-5-fluoro-1-methylindazol-3-yl)butanoyl]-2-azatricyclo[3.3.1.13,7]decane-5-carbonitrile;3-(4-cyclopropyl-5-fluoro-1-methylindazol-3-yl)-1-(5-hydroxy-2-azatricyclo[3.3.1.13,7]decan-2-yl)butan-1-one;3-(4-cyclopropyl-5-methoxy-1-methylindazol-3-yl)-1-(5-hydroxy-2-azatricyclo[3.3.1.13,7]decan-2-yl)butan-1-one;2-[3-(4-fluoro-1-methylindazol-3-yl)butanoyl]-2-azatricyclo[3.3.1.13,7]decane-5-carbonitrile has a molecular weight of 2456.89 g/mol, XLogP of 24.81, 22 rotatable bonds, 3 hydrogen bond donors, and 25 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[3-(4-chloro-5-fluoro-1-methylindazol-3-yl)butanoyl]-2-azatricyclo[3.3.1.13,7]decane-5-carbonitrile;3-(4-chloro-5-fluoro-1-methylindazol-3-yl)-1-(5-hydroxy-2-azatricyclo[3.3.1.13,7]decan-2-yl)butan-1-one;2-[3-(4-cyclopropyl-5-fluoro-1-methylindazol-3-yl)butanoyl]-2-azatricyclo[3.3.1.13,7]decane-5-carbonitrile;3-(4-cyclopropyl-5-fluoro-1-methylindazol-3-yl)-1-(5-hydroxy-2-azatricyclo[3.3.1.13,7]decan-2-yl)butan-1-one;3-(4-cyclopropyl-5-methoxy-1-methylindazol-3-yl)-1-(5-hydroxy-2-azatricyclo[3.3.1.13,7]decan-2-yl)butan-1-one;2-[3-(4-fluoro-1-methylindazol-3-yl)butanoyl]-2-azatricyclo[3.3.1.13,7]decane-5-carbonitrile is sourced from PubChem (CID 158768227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).