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

C144H178Cl3F2N21O10 — CID 159040482

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

2-[3-(4-chloro-5-cyclopropyloxy-1-methylindazol-3-yl)-3-methylbutanoyl]-2-azatricyclo[3.3.1.13,7]decane-5-carbonitrile;2-[3-(4-chloro-5-fluoro-1-methylindazol-3-yl)-3-methylbutanoyl]-2-azatricyclo[3.3.1.13,7]decane-5-carbonitrile;3-(4-chloro-1-methylindazol-3-yl)-1-(5-hydroxy-7-methyl-2-azatricyclo[3.3.1.13,7]decan-2-yl)butan-1-one;2-[3-(4-cyclopropyl-1-methylindazol-3-yl)butanoyl]-7-methyl-2-azatricyclo[3.3.1.13,7]decane-5-carbonitrile;3-(4-cyclopropyl-1-methylindazol-3-yl)-1-(5-hydroxy-7-methyl-2-azatricyclo[3.3.1.13,7]decan-2-yl)butan-1-one;3-(4-fluoro-1-methylindazol-3-yl)-1-(5-hydroxy-7-methyl-2-azatricyclo[3.3.1.13,7]decan-2-yl)butan-1-one (PubChem CID 159040482) has the molecular formula C144H178Cl3F2N21O10 and a molecular weight of 2507.50 g/mol. Its IUPAC name is 2-[3-(4-chloro-5-cyclopropyloxy-1-methylindazol-3-yl)-3-methylbutanoyl]-2-azatricyclo[3.3.1.13,7]decane-5-carbonitrile;2-[3-(4-chloro-5-fluoro-1-methylindazol-3-yl)-3-methylbutanoyl]-2-azatricyclo[3.3.1.13,7]decane-5-carbonitrile;3-(4-chloro-1-methylindazol-3-yl)-1-(5-hydroxy-7-methyl-2-azatricyclo[3.3.1.13,7]decan-2-yl)butan-1-one;2-[3-(4-cyclopropyl-1-methylindazol-3-yl)butanoyl]-7-methyl-2-azatricyclo[3.3.1.13,7]decane-5-carbonitrile;3-(4-cyclopropyl-1-methylindazol-3-yl)-1-(5-hydroxy-7-methyl-2-azatricyclo[3.3.1.13,7]decan-2-yl)butan-1-one;3-(4-fluoro-1-methylindazol-3-yl)-1-(5-hydroxy-7-methyl-2-azatricyclo[3.3.1.13,7]decan-2-yl)butan-1-one.

Molecular Properties

• Compound Name: 2-[3-(4-chloro-5-cyclopropyloxy-1-methylindazol-3-yl)-3-methylbutanoyl]-2-azatricyclo[3.3.1.13,7]decane-5-carbonitrile;2-[3-(4-chloro-5-fluoro-1-methylindazol-3-yl)-3-methylbutanoyl]-2-azatricyclo[3.3.1.13,7]decane-5-carbonitrile;3-(4-chloro-1-methylindazol-3-yl)-1-(5-hydroxy-7-methyl-2-azatricyclo[3.3.1.13,7]decan-2-yl)butan-1-one;2-[3-(4-cyclopropyl-1-methylindazol-3-yl)butanoyl]-7-methyl-2-azatricyclo[3.3.1.13,7]decane-5-carbonitrile;3-(4-cyclopropyl-1-methylindazol-3-yl)-1-(5-hydroxy-7-methyl-2-azatricyclo[3.3.1.13,7]decan-2-yl)butan-1-one;3-(4-fluoro-1-methylindazol-3-yl)-1-(5-hydroxy-7-methyl-2-azatricyclo[3.3.1.13,7]decan-2-yl)butan-1-one
• PubChem CID: 159040482
• Molecular Formula: C144H178Cl3F2N21O10
• Molecular Weight: 2507.50 g/mol
• Exact Mass: 2504.31
• IUPAC Name: 2-[3-(4-chloro-5-cyclopropyloxy-1-methylindazol-3-yl)-3-methylbutanoyl]-2-azatricyclo[3.3.1.13,7]decane-5-carbonitrile;2-[3-(4-chloro-5-fluoro-1-methylindazol-3-yl)-3-methylbutanoyl]-2-azatricyclo[3.3.1.13,7]decane-5-carbonitrile;3-(4-chloro-1-methylindazol-3-yl)-1-(5-hydroxy-7-methyl-2-azatricyclo[3.3.1.13,7]decan-2-yl)butan-1-one;2-[3-(4-cyclopropyl-1-methylindazol-3-yl)butanoyl]-7-methyl-2-azatricyclo[3.3.1.13,7]decane-5-carbonitrile;3-(4-cyclopropyl-1-methylindazol-3-yl)-1-(5-hydroxy-7-methyl-2-azatricyclo[3.3.1.13,7]decan-2-yl)butan-1-one;3-(4-fluoro-1-methylindazol-3-yl)-1-(5-hydroxy-7-methyl-2-azatricyclo[3.3.1.13,7]decan-2-yl)butan-1-one
• SMILES: CC(CC(=O)N1C2CC3(C)CC1CC(C#N)(C2)C3)c1nn(C)c2cccc(C3CC3)c12.CC(CC(=O)N1C2CC3(C)CC1CC(O)(C2)C3)c1nn(C)c2cccc(C3CC3)c12.CC(CC(=O)N1C2CC3(C)CC1CC(O)(C2)C3)c1nn(C)c2cccc(Cl)c12.CC(CC(=O)N1C2CC3(C)CC1CC(O)(C2)C3)c1nn(C)c2cccc(F)c12.Cn1nc(C(C)(C)CC(=O)N2C3CC4CC2CC(C#N)(C4)C3)c2c(Cl)c(F)ccc21.Cn1nc(C(C)(C)CC(=O)N2C3CC4CC2CC(C#N)(C4)C3)c2c(Cl)c(OC3CC3)ccc21
• InChI: InChI=1S/C26H31ClN4O2.C26H32N4O.C25H33N3O2.C23H26ClFN4O.C22H28ClN3O2.C22H28FN3O2/c1-25(2,13-21(32)31-16-8-15-9-17(31)12-26(10-15,11-16)14-28)24-22-19(30(3)29-24)6-7-20(23(22)27)33-18-4-5-18;1-16(24-23-20(17-7-8-17)5-4-6-21(23)29(3)28-24)9-22(31)30-18-10-25(2)11-19(30)13-26(12-18,14-25)15-27;1-15(23-22-19(16-7-8-16)5-4-6-20(22)27(3)26-23)9-21(29)28-17-10-24(2)11-18(28)13-25(30,12-17)14-24;1-22(2,21-19-17(28(3)27-21)5-4-16(25)20(19)24)11-18(30)29-14-6-13-7-15(29)10-23(8-13,9-14)12-26;2*1-13(20-19-16(23)5-4-6-17(19)25(3)24-20)7-18(27)26-14-8-21(2)9-15(26)11-22(28,10-14)12-21/h6-7,15-18H,4-5,8-13H2,1-3H3;4-6,16-19H,7-14H2,1-3H3;4-6,15-18,30H,7-14H2,1-3H3;4-5,13-15H,6-11H2,1-3H3;2*4-6,13-15,28H,7-12H2,1-3H3
• InChIKey: JVZKGSNUOCNOIF-UHFFFAOYSA-N
• XLogP: 26.61
• TPSA: 370.07 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 25
• Rotatable Bonds: 22
• Heavy Atoms: 180
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2507.50
LogP ≤ 5	26.61
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	25

Frequently Asked Questions

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

The IUPAC name of 2-[3-(4-chloro-5-cyclopropyloxy-1-methylindazol-3-yl)-3-methylbutanoyl]-2-azatricyclo[3.3.1.13,7]decane-5-carbonitrile;2-[3-(4-chloro-5-fluoro-1-methylindazol-3-yl)-3-methylbutanoyl]-2-azatricyclo[3.3.1.13,7]decane-5-carbonitrile;3-(4-chloro-1-methylindazol-3-yl)-1-(5-hydroxy-7-methyl-2-azatricyclo[3.3.1.13,7]decan-2-yl)butan-1-one;2-[3-(4-cyclopropyl-1-methylindazol-3-yl)butanoyl]-7-methyl-2-azatricyclo[3.3.1.13,7]decane-5-carbonitrile;3-(4-cyclopropyl-1-methylindazol-3-yl)-1-(5-hydroxy-7-methyl-2-azatricyclo[3.3.1.13,7]decan-2-yl)butan-1-one;3-(4-fluoro-1-methylindazol-3-yl)-1-(5-hydroxy-7-methyl-2-azatricyclo[3.3.1.13,7]decan-2-yl)butan-1-one (CID 159040482) is 2-[3-(4-chloro-5-cyclopropyloxy-1-methylindazol-3-yl)-3-methylbutanoyl]-2-azatricyclo[3.3.1.13,7]decane-5-carbonitrile;2-[3-(4-chloro-5-fluoro-1-methylindazol-3-yl)-3-methylbutanoyl]-2-azatricyclo[3.3.1.13,7]decane-5-carbonitrile;3-(4-chloro-1-methylindazol-3-yl)-1-(5-hydroxy-7-methyl-2-azatricyclo[3.3.1.13,7]decan-2-yl)butan-1-one;2-[3-(4-cyclopropyl-1-methylindazol-3-yl)butanoyl]-7-methyl-2-azatricyclo[3.3.1.13,7]decane-5-carbonitrile;3-(4-cyclopropyl-1-methylindazol-3-yl)-1-(5-hydroxy-7-methyl-2-azatricyclo[3.3.1.13,7]decan-2-yl)butan-1-one;3-(4-fluoro-1-methylindazol-3-yl)-1-(5-hydroxy-7-methyl-2-azatricyclo[3.3.1.13,7]decan-2-yl)butan-1-one.

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

The canonical SMILES for 2-[3-(4-chloro-5-cyclopropyloxy-1-methylindazol-3-yl)-3-methylbutanoyl]-2-azatricyclo[3.3.1.13,7]decane-5-carbonitrile;2-[3-(4-chloro-5-fluoro-1-methylindazol-3-yl)-3-methylbutanoyl]-2-azatricyclo[3.3.1.13,7]decane-5-carbonitrile;3-(4-chloro-1-methylindazol-3-yl)-1-(5-hydroxy-7-methyl-2-azatricyclo[3.3.1.13,7]decan-2-yl)butan-1-one;2-[3-(4-cyclopropyl-1-methylindazol-3-yl)butanoyl]-7-methyl-2-azatricyclo[3.3.1.13,7]decane-5-carbonitrile;3-(4-cyclopropyl-1-methylindazol-3-yl)-1-(5-hydroxy-7-methyl-2-azatricyclo[3.3.1.13,7]decan-2-yl)butan-1-one;3-(4-fluoro-1-methylindazol-3-yl)-1-(5-hydroxy-7-methyl-2-azatricyclo[3.3.1.13,7]decan-2-yl)butan-1-one is CC(CC(=O)N1C2CC3(C)CC1CC(C#N)(C2)C3)c1nn(C)c2cccc(C3CC3)c12.CC(CC(=O)N1C2CC3(C)CC1CC(O)(C2)C3)c1nn(C)c2cccc(C3CC3)c12.CC(CC(=O)N1C2CC3(C)CC1CC(O)(C2)C3)c1nn(C)c2cccc(Cl)c12.CC(CC(=O)N1C2CC3(C)CC1CC(O)(C2)C3)c1nn(C)c2cccc(F)c12.Cn1nc(C(C)(C)CC(=O)N2C3CC4CC2CC(C#N)(C4)C3)c2c(Cl)c(F)ccc21.Cn1nc(C(C)(C)CC(=O)N2C3CC4CC2CC(C#N)(C4)C3)c2c(Cl)c(OC3CC3)ccc21.

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

The InChIKey is JVZKGSNUOCNOIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H31ClN4O2.C26H32N4O.C25H33N3O2.C23H26ClFN4O.C22H28ClN3O2.C22H28FN3O2/c1-25(2,13-21(32)31-16-8-15-9-17(31)12-26(10-15,11-16)14-28)24-22-19(30(3)29-24)6-7-20(23(22)27)33-18-4-5-18;1-16(24-23-20(17-7-8-17)5-4-6-21(23)29(3)28-24)9-22(31)30-18-10-25(2)11-19(30)13-26(12-18,14-25)15-27;1-15(23-22-19(16-7-8-16)5-4-6-20(22)27(3)26-23)9-21(29)28-17-10-24(2)11-18(28)13-25(30,12-17)14-24;1-22(2,21-19-17(28(3)27-21)5-4-16(25)20(19)24)11-18(30)29-14-6-13-7-15(29)10-23(8-13,9-14)12-26;2*1-13(20-19-16(23)5-4-6-17(19)25(3)24-20)7-18(27)26-14-8-21(2)9-15(26)11-22(28,10-14)12-21/h6-7,15-18H,4-5,8-13H2,1-3H3;4-6,16-19H,7-14H2,1-3H3;4-6,15-18,30H,7-14H2,1-3H3;4-5,13-15H,6-11H2,1-3H3;2*4-6,13-15,28H,7-12H2,1-3H3.

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

2-[3-(4-chloro-5-cyclopropyloxy-1-methylindazol-3-yl)-3-methylbutanoyl]-2-azatricyclo[3.3.1.13,7]decane-5-carbonitrile;2-[3-(4-chloro-5-fluoro-1-methylindazol-3-yl)-3-methylbutanoyl]-2-azatricyclo[3.3.1.13,7]decane-5-carbonitrile;3-(4-chloro-1-methylindazol-3-yl)-1-(5-hydroxy-7-methyl-2-azatricyclo[3.3.1.13,7]decan-2-yl)butan-1-one;2-[3-(4-cyclopropyl-1-methylindazol-3-yl)butanoyl]-7-methyl-2-azatricyclo[3.3.1.13,7]decane-5-carbonitrile;3-(4-cyclopropyl-1-methylindazol-3-yl)-1-(5-hydroxy-7-methyl-2-azatricyclo[3.3.1.13,7]decan-2-yl)butan-1-one;3-(4-fluoro-1-methylindazol-3-yl)-1-(5-hydroxy-7-methyl-2-azatricyclo[3.3.1.13,7]decan-2-yl)butan-1-one has a molecular weight of 2507.50 g/mol, XLogP of 26.61, 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-cyclopropyloxy-1-methylindazol-3-yl)-3-methylbutanoyl]-2-azatricyclo[3.3.1.13,7]decane-5-carbonitrile;2-[3-(4-chloro-5-fluoro-1-methylindazol-3-yl)-3-methylbutanoyl]-2-azatricyclo[3.3.1.13,7]decane-5-carbonitrile;3-(4-chloro-1-methylindazol-3-yl)-1-(5-hydroxy-7-methyl-2-azatricyclo[3.3.1.13,7]decan-2-yl)butan-1-one;2-[3-(4-cyclopropyl-1-methylindazol-3-yl)butanoyl]-7-methyl-2-azatricyclo[3.3.1.13,7]decane-5-carbonitrile;3-(4-cyclopropyl-1-methylindazol-3-yl)-1-(5-hydroxy-7-methyl-2-azatricyclo[3.3.1.13,7]decan-2-yl)butan-1-one;3-(4-fluoro-1-methylindazol-3-yl)-1-(5-hydroxy-7-methyl-2-azatricyclo[3.3.1.13,7]decan-2-yl)butan-1-one is sourced from PubChem (CID 159040482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).