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

C140H172Cl3F2N21O15 — CID 159712131

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

3-(4-chloro-5-cyclopropyloxy-1-methylindazol-3-yl)-1-(5-hydroxy-2-azatricyclo[3.3.1.13,7]decan-2-yl)butan-1-one;2-[3-(4-chloro-5-methoxy-1-methylindazol-3-yl)butanoyl]-2-azatricyclo[3.3.1.13,7]decane-5-carbonitrile;3-(4-chloro-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-cyclopropyl-5-methoxy-1-methylindazol-3-yl)butanoyl]-2-azatricyclo[3.3.1.13,7]decane-5-carbonitrile;2-[3-(4-fluoro-5-methoxy-1-methylindazol-3-yl)butanoyl]-2-azatricyclo[3.3.1.13,7]decane-5-carbonitrile;3-(4-fluoro-5-methoxy-1-methylindazol-3-yl)-1-(5-hydroxy-2-azatricyclo[3.3.1.13,7]decan-2-yl)butan-1-one (PubChem CID 159712131) has the molecular formula C140H172Cl3F2N21O15 and a molecular weight of 2533.40 g/mol. Its IUPAC name is 3-(4-chloro-5-cyclopropyloxy-1-methylindazol-3-yl)-1-(5-hydroxy-2-azatricyclo[3.3.1.13,7]decan-2-yl)butan-1-one;2-[3-(4-chloro-5-methoxy-1-methylindazol-3-yl)butanoyl]-2-azatricyclo[3.3.1.13,7]decane-5-carbonitrile;3-(4-chloro-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-cyclopropyl-5-methoxy-1-methylindazol-3-yl)butanoyl]-2-azatricyclo[3.3.1.13,7]decane-5-carbonitrile;2-[3-(4-fluoro-5-methoxy-1-methylindazol-3-yl)butanoyl]-2-azatricyclo[3.3.1.13,7]decane-5-carbonitrile;3-(4-fluoro-5-methoxy-1-methylindazol-3-yl)-1-(5-hydroxy-2-azatricyclo[3.3.1.13,7]decan-2-yl)butan-1-one.

Molecular Properties

• Compound Name: 3-(4-chloro-5-cyclopropyloxy-1-methylindazol-3-yl)-1-(5-hydroxy-2-azatricyclo[3.3.1.13,7]decan-2-yl)butan-1-one;2-[3-(4-chloro-5-methoxy-1-methylindazol-3-yl)butanoyl]-2-azatricyclo[3.3.1.13,7]decane-5-carbonitrile;3-(4-chloro-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-cyclopropyl-5-methoxy-1-methylindazol-3-yl)butanoyl]-2-azatricyclo[3.3.1.13,7]decane-5-carbonitrile;2-[3-(4-fluoro-5-methoxy-1-methylindazol-3-yl)butanoyl]-2-azatricyclo[3.3.1.13,7]decane-5-carbonitrile;3-(4-fluoro-5-methoxy-1-methylindazol-3-yl)-1-(5-hydroxy-2-azatricyclo[3.3.1.13,7]decan-2-yl)butan-1-one
• PubChem CID: 159712131
• Molecular Formula: C140H172Cl3F2N21O15
• Molecular Weight: 2533.40 g/mol
• Exact Mass: 2530.24
• IUPAC Name: 3-(4-chloro-5-cyclopropyloxy-1-methylindazol-3-yl)-1-(5-hydroxy-2-azatricyclo[3.3.1.13,7]decan-2-yl)butan-1-one;2-[3-(4-chloro-5-methoxy-1-methylindazol-3-yl)butanoyl]-2-azatricyclo[3.3.1.13,7]decane-5-carbonitrile;3-(4-chloro-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-cyclopropyl-5-methoxy-1-methylindazol-3-yl)butanoyl]-2-azatricyclo[3.3.1.13,7]decane-5-carbonitrile;2-[3-(4-fluoro-5-methoxy-1-methylindazol-3-yl)butanoyl]-2-azatricyclo[3.3.1.13,7]decane-5-carbonitrile;3-(4-fluoro-5-methoxy-1-methylindazol-3-yl)-1-(5-hydroxy-2-azatricyclo[3.3.1.13,7]decan-2-yl)butan-1-one
• SMILES: CC(CC(=O)N1C2CC3CC1CC(O)(C3)C2)c1nn(C)c2ccc(OC3CC3)c(Cl)c12.COc1ccc2c(c(C(C)CC(=O)N3C4CC5CC3CC(C#N)(C5)C4)nn2C)c1C1CC1.COc1ccc2c(c(C(C)CC(=O)N3C4CC5CC3CC(C#N)(C5)C4)nn2C)c1Cl.COc1ccc2c(c(C(C)CC(=O)N3C4CC5CC3CC(C#N)(C5)C4)nn2C)c1F.COc1ccc2c(c(C(C)CC(=O)N3C4CC5CC3CC(O)(C5)C4)nn2C)c1Cl.COc1ccc2c(c(C(C)CC(=O)N3C4CC5CC3CC(O)(C5)C4)nn2C)c1F
• InChI: InChI=1S/C26H32N4O2.C24H30ClN3O3.C23H27ClN4O2.C23H27FN4O2.C22H28ClN3O3.C22H28FN3O3/c1-15(8-22(31)30-18-9-16-10-19(30)13-26(11-16,12-18)14-27)25-24-20(29(2)28-25)6-7-21(32-3)23(24)17-4-5-17;1-13(7-20(29)28-15-8-14-9-16(28)12-24(30,10-14)11-15)23-21-18(27(2)26-23)5-6-19(22(21)25)31-17-3-4-17;2*1-13(22-20-17(27(2)26-22)4-5-18(30-3)21(20)24)6-19(29)28-15-7-14-8-16(28)11-23(9-14,10-15)12-25;2*1-12(21-19-16(25(2)24-21)4-5-17(29-3)20(19)23)6-18(27)26-14-7-13-8-15(26)11-22(28,9-13)10-14/h6-7,15-19H,4-5,8-13H2,1-3H3;5-6,13-17,30H,3-4,7-12H2,1-2H3;2*4-5,13-16H,6-11H2,1-3H3;2*4-5,12-15,28H,6-11H2,1-3H3
• InChIKey: MYYXQKAXFGZAKS-UHFFFAOYSA-N
• XLogP: 23.86
• TPSA: 416.22 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 30
• Rotatable Bonds: 26
• Heavy Atoms: 181
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2533.40
LogP ≤ 5	23.86
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	30

Frequently Asked Questions

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

The IUPAC name of 3-(4-chloro-5-cyclopropyloxy-1-methylindazol-3-yl)-1-(5-hydroxy-2-azatricyclo[3.3.1.13,7]decan-2-yl)butan-1-one;2-[3-(4-chloro-5-methoxy-1-methylindazol-3-yl)butanoyl]-2-azatricyclo[3.3.1.13,7]decane-5-carbonitrile;3-(4-chloro-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-cyclopropyl-5-methoxy-1-methylindazol-3-yl)butanoyl]-2-azatricyclo[3.3.1.13,7]decane-5-carbonitrile;2-[3-(4-fluoro-5-methoxy-1-methylindazol-3-yl)butanoyl]-2-azatricyclo[3.3.1.13,7]decane-5-carbonitrile;3-(4-fluoro-5-methoxy-1-methylindazol-3-yl)-1-(5-hydroxy-2-azatricyclo[3.3.1.13,7]decan-2-yl)butan-1-one (CID 159712131) is 3-(4-chloro-5-cyclopropyloxy-1-methylindazol-3-yl)-1-(5-hydroxy-2-azatricyclo[3.3.1.13,7]decan-2-yl)butan-1-one;2-[3-(4-chloro-5-methoxy-1-methylindazol-3-yl)butanoyl]-2-azatricyclo[3.3.1.13,7]decane-5-carbonitrile;3-(4-chloro-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-cyclopropyl-5-methoxy-1-methylindazol-3-yl)butanoyl]-2-azatricyclo[3.3.1.13,7]decane-5-carbonitrile;2-[3-(4-fluoro-5-methoxy-1-methylindazol-3-yl)butanoyl]-2-azatricyclo[3.3.1.13,7]decane-5-carbonitrile;3-(4-fluoro-5-methoxy-1-methylindazol-3-yl)-1-(5-hydroxy-2-azatricyclo[3.3.1.13,7]decan-2-yl)butan-1-one.

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

The canonical SMILES for 3-(4-chloro-5-cyclopropyloxy-1-methylindazol-3-yl)-1-(5-hydroxy-2-azatricyclo[3.3.1.13,7]decan-2-yl)butan-1-one;2-[3-(4-chloro-5-methoxy-1-methylindazol-3-yl)butanoyl]-2-azatricyclo[3.3.1.13,7]decane-5-carbonitrile;3-(4-chloro-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-cyclopropyl-5-methoxy-1-methylindazol-3-yl)butanoyl]-2-azatricyclo[3.3.1.13,7]decane-5-carbonitrile;2-[3-(4-fluoro-5-methoxy-1-methylindazol-3-yl)butanoyl]-2-azatricyclo[3.3.1.13,7]decane-5-carbonitrile;3-(4-fluoro-5-methoxy-1-methylindazol-3-yl)-1-(5-hydroxy-2-azatricyclo[3.3.1.13,7]decan-2-yl)butan-1-one is CC(CC(=O)N1C2CC3CC1CC(O)(C3)C2)c1nn(C)c2ccc(OC3CC3)c(Cl)c12.COc1ccc2c(c(C(C)CC(=O)N3C4CC5CC3CC(C#N)(C5)C4)nn2C)c1C1CC1.COc1ccc2c(c(C(C)CC(=O)N3C4CC5CC3CC(C#N)(C5)C4)nn2C)c1Cl.COc1ccc2c(c(C(C)CC(=O)N3C4CC5CC3CC(C#N)(C5)C4)nn2C)c1F.COc1ccc2c(c(C(C)CC(=O)N3C4CC5CC3CC(O)(C5)C4)nn2C)c1Cl.COc1ccc2c(c(C(C)CC(=O)N3C4CC5CC3CC(O)(C5)C4)nn2C)c1F.

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

The InChIKey is MYYXQKAXFGZAKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H32N4O2.C24H30ClN3O3.C23H27ClN4O2.C23H27FN4O2.C22H28ClN3O3.C22H28FN3O3/c1-15(8-22(31)30-18-9-16-10-19(30)13-26(11-16,12-18)14-27)25-24-20(29(2)28-25)6-7-21(32-3)23(24)17-4-5-17;1-13(7-20(29)28-15-8-14-9-16(28)12-24(30,10-14)11-15)23-21-18(27(2)26-23)5-6-19(22(21)25)31-17-3-4-17;2*1-13(22-20-17(27(2)26-22)4-5-18(30-3)21(20)24)6-19(29)28-15-7-14-8-16(28)11-23(9-14,10-15)12-25;2*1-12(21-19-16(25(2)24-21)4-5-17(29-3)20(19)23)6-18(27)26-14-7-13-8-15(26)11-22(28,9-13)10-14/h6-7,15-19H,4-5,8-13H2,1-3H3;5-6,13-17,30H,3-4,7-12H2,1-2H3;2*4-5,13-16H,6-11H2,1-3H3;2*4-5,12-15,28H,6-11H2,1-3H3.

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

3-(4-chloro-5-cyclopropyloxy-1-methylindazol-3-yl)-1-(5-hydroxy-2-azatricyclo[3.3.1.13,7]decan-2-yl)butan-1-one;2-[3-(4-chloro-5-methoxy-1-methylindazol-3-yl)butanoyl]-2-azatricyclo[3.3.1.13,7]decane-5-carbonitrile;3-(4-chloro-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-cyclopropyl-5-methoxy-1-methylindazol-3-yl)butanoyl]-2-azatricyclo[3.3.1.13,7]decane-5-carbonitrile;2-[3-(4-fluoro-5-methoxy-1-methylindazol-3-yl)butanoyl]-2-azatricyclo[3.3.1.13,7]decane-5-carbonitrile;3-(4-fluoro-5-methoxy-1-methylindazol-3-yl)-1-(5-hydroxy-2-azatricyclo[3.3.1.13,7]decan-2-yl)butan-1-one has a molecular weight of 2533.40 g/mol, XLogP of 23.86, 26 rotatable bonds, 3 hydrogen bond donors, and 30 hydrogen bond acceptors.

Where does this data come from?

All data for 3-(4-chloro-5-cyclopropyloxy-1-methylindazol-3-yl)-1-(5-hydroxy-2-azatricyclo[3.3.1.13,7]decan-2-yl)butan-1-one;2-[3-(4-chloro-5-methoxy-1-methylindazol-3-yl)butanoyl]-2-azatricyclo[3.3.1.13,7]decane-5-carbonitrile;3-(4-chloro-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-cyclopropyl-5-methoxy-1-methylindazol-3-yl)butanoyl]-2-azatricyclo[3.3.1.13,7]decane-5-carbonitrile;2-[3-(4-fluoro-5-methoxy-1-methylindazol-3-yl)butanoyl]-2-azatricyclo[3.3.1.13,7]decane-5-carbonitrile;3-(4-fluoro-5-methoxy-1-methylindazol-3-yl)-1-(5-hydroxy-2-azatricyclo[3.3.1.13,7]decan-2-yl)butan-1-one is sourced from PubChem (CID 159712131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).