3-(4-cyclopropyl-5-fluoro-2H-indazol-3-yl)-1-(5-hydroxy-2-azatricyclo[3.3.1.13,7]decan-2-yl)butan-1-one;2-[3-fluoro-3-(4-fluoro-5-methoxy-2H-indazol-3-yl)butanoyl]-2-azatricyclo[3.3.1.13,7]decane-5-carbonitrile;3-[4-(5-fluorofuran-2-yl)-2H-indazol-3-yl]-1-(5-hydroxy-2-azatricyclo[3.3.1.13,7]decan-2-yl)butan-1-one;2-[3-(4-fluoro-5-methoxy-2H-indazol-3-yl)butanoyl]-2-azatricyclo[3.3.1.13,7]decane-5-carbonitrile;2-[2-[1-(4-fluoro-5-methoxy-2H-indazol-3-yl)cyclopropyl]acetyl]-2-azatricyclo[3.3.1.13,7]decane-5-carbonitrile;2-[3-(4-fluoro-5-methoxy-2H-indazol-3-yl)-3-methylbutanoyl]-2-azatricyclo[3.3.1.13,7]decane-5-carbonitrile

C137H155F7N22O13 — CID 157336250

About 3-(4-cyclopropyl-5-fluoro-2H-indazol-3-yl)-1-(5-hydroxy-2-azatricyclo[3.3.1.13,7]decan-2-yl)butan-1-one;2-[3-fluoro-3-(4-fluoro-5-methoxy-2H-indazol-3-yl)butanoyl]-2-azatricyclo[3.3.1.13,7]decane-5-carbonitrile;3-[4-(5-fluorofuran-2-yl)-2H-indazol-3-yl]-1-(5-hydroxy-2-azatricyclo[3.3.1.13,7]decan-2-yl)butan-1-one;2-[3-(4-fluoro-5-methoxy-2H-indazol-3-yl)butanoyl]-2-azatricyclo[3.3.1.13,7]decane-5-carbonitrile;2-[2-[1-(4-fluoro-5-methoxy-2H-indazol-3-yl)cyclopropyl]acetyl]-2-azatricyclo[3.3.1.13,7]decane-5-carbonitrile;2-[3-(4-fluoro-5-methoxy-2H-indazol-3-yl)-3-methylbutanoyl]-2-azatricyclo[3.3.1.13,7]decane-5-carbonitrile

3-(4-cyclopropyl-5-fluoro-2H-indazol-3-yl)-1-(5-hydroxy-2-azatricyclo[3.3.1.13,7]decan-2-yl)butan-1-one;2-[3-fluoro-3-(4-fluoro-5-methoxy-2H-indazol-3-yl)butanoyl]-2-azatricyclo[3.3.1.13,7]decane-5-carbonitrile;3-[4-(5-fluorofuran-2-yl)-2H-indazol-3-yl]-1-(5-hydroxy-2-azatricyclo[3.3.1.13,7]decan-2-yl)butan-1-one;2-[3-(4-fluoro-5-methoxy-2H-indazol-3-yl)butanoyl]-2-azatricyclo[3.3.1.13,7]decane-5-carbonitrile;2-[2-[1-(4-fluoro-5-methoxy-2H-indazol-3-yl)cyclopropyl]acetyl]-2-azatricyclo[3.3.1.13,7]decane-5-carbonitrile;2-[3-(4-fluoro-5-methoxy-2H-indazol-3-yl)-3-methylbutanoyl]-2-azatricyclo[3.3.1.13,7]decane-5-carbonitrile (PubChem CID 157336250) has the molecular formula C137H155F7N22O13 and a molecular weight of 2450.87 g/mol. Its IUPAC name is 3-(4-cyclopropyl-5-fluoro-2H-indazol-3-yl)-1-(5-hydroxy-2-azatricyclo[3.3.1.13,7]decan-2-yl)butan-1-one;2-[3-fluoro-3-(4-fluoro-5-methoxy-2H-indazol-3-yl)butanoyl]-2-azatricyclo[3.3.1.13,7]decane-5-carbonitrile;3-[4-(5-fluorofuran-2-yl)-2H-indazol-3-yl]-1-(5-hydroxy-2-azatricyclo[3.3.1.13,7]decan-2-yl)butan-1-one;2-[3-(4-fluoro-5-methoxy-2H-indazol-3-yl)butanoyl]-2-azatricyclo[3.3.1.13,7]decane-5-carbonitrile;2-[2-[1-(4-fluoro-5-methoxy-2H-indazol-3-yl)cyclopropyl]acetyl]-2-azatricyclo[3.3.1.13,7]decane-5-carbonitrile;2-[3-(4-fluoro-5-methoxy-2H-indazol-3-yl)-3-methylbutanoyl]-2-azatricyclo[3.3.1.13,7]decane-5-carbonitrile.

Molecular Properties

• Compound Name: 3-(4-cyclopropyl-5-fluoro-2H-indazol-3-yl)-1-(5-hydroxy-2-azatricyclo[3.3.1.13,7]decan-2-yl)butan-1-one;2-[3-fluoro-3-(4-fluoro-5-methoxy-2H-indazol-3-yl)butanoyl]-2-azatricyclo[3.3.1.13,7]decane-5-carbonitrile;3-[4-(5-fluorofuran-2-yl)-2H-indazol-3-yl]-1-(5-hydroxy-2-azatricyclo[3.3.1.13,7]decan-2-yl)butan-1-one;2-[3-(4-fluoro-5-methoxy-2H-indazol-3-yl)butanoyl]-2-azatricyclo[3.3.1.13,7]decane-5-carbonitrile;2-[2-[1-(4-fluoro-5-methoxy-2H-indazol-3-yl)cyclopropyl]acetyl]-2-azatricyclo[3.3.1.13,7]decane-5-carbonitrile;2-[3-(4-fluoro-5-methoxy-2H-indazol-3-yl)-3-methylbutanoyl]-2-azatricyclo[3.3.1.13,7]decane-5-carbonitrile
• PubChem CID: 157336250
• Molecular Formula: C137H155F7N22O13
• Molecular Weight: 2450.87 g/mol
• Exact Mass: 2449.20
• IUPAC Name: 3-(4-cyclopropyl-5-fluoro-2H-indazol-3-yl)-1-(5-hydroxy-2-azatricyclo[3.3.1.13,7]decan-2-yl)butan-1-one;2-[3-fluoro-3-(4-fluoro-5-methoxy-2H-indazol-3-yl)butanoyl]-2-azatricyclo[3.3.1.13,7]decane-5-carbonitrile;3-[4-(5-fluorofuran-2-yl)-2H-indazol-3-yl]-1-(5-hydroxy-2-azatricyclo[3.3.1.13,7]decan-2-yl)butan-1-one;2-[3-(4-fluoro-5-methoxy-2H-indazol-3-yl)butanoyl]-2-azatricyclo[3.3.1.13,7]decane-5-carbonitrile;2-[2-[1-(4-fluoro-5-methoxy-2H-indazol-3-yl)cyclopropyl]acetyl]-2-azatricyclo[3.3.1.13,7]decane-5-carbonitrile;2-[3-(4-fluoro-5-methoxy-2H-indazol-3-yl)-3-methylbutanoyl]-2-azatricyclo[3.3.1.13,7]decane-5-carbonitrile
• SMILES: CC(CC(=O)N1C2CC3CC1CC(O)(C3)C2)c1[nH]nc2ccc(F)c(C3CC3)c12.CC(CC(=O)N1C2CC3CC1CC(O)(C3)C2)c1[nH]nc2cccc(-c3ccc(F)o3)c12.COc1ccc2n[nH]c(C(C)(C)CC(=O)N3C4CC5CC3CC(C#N)(C5)C4)c2c1F.COc1ccc2n[nH]c(C(C)(F)CC(=O)N3C4CC5CC3CC(C#N)(C5)C4)c2c1F.COc1ccc2n[nH]c(C(C)CC(=O)N3C4CC5CC3CC(C#N)(C5)C4)c2c1F.COc1ccc2n[nH]c(C3(CC(=O)N4C5CC6CC4CC(C#N)(C6)C5)CC3)c2c1F
• InChI: InChI=1S/C24H26FN3O3.C23H25FN4O2.C23H27FN4O2.C23H28FN3O2.C22H24F2N4O2.C22H25FN4O2/c1-13(7-21(29)28-15-8-14-9-16(28)12-24(30,10-14)11-15)23-22-17(19-5-6-20(25)31-19)3-2-4-18(22)26-27-23;1-30-17-3-2-16-19(20(17)24)21(27-26-16)23(4-5-23)11-18(29)28-14-6-13-7-15(28)10-22(8-13,9-14)12-25;1-22(2,21-19-16(26-27-21)4-5-17(30-3)20(19)24)11-18(29)28-14-6-13-7-15(28)10-23(8-13,9-14)12-25;1-12(22-21-18(25-26-22)5-4-17(24)20(21)14-2-3-14)6-19(28)27-15-7-13-8-16(27)11-23(29,9-13)10-15;1-21(24,20-18-15(26-27-20)3-4-16(30-2)19(18)23)10-17(29)28-13-5-12-6-14(28)9-22(7-12,8-13)11-25;1-12(21-19-16(25-26-21)3-4-17(29-2)20(19)23)5-18(28)27-14-6-13-7-15(27)10-22(8-13,9-14)11-24/h2-6,13-16,30H,7-12H2,1H3,(H,26,27);2-3,13-15H,4-11H2,1H3,(H,26,27);4-5,13-15H,6-11H2,1-3H3,(H,26,27);4-5,12-16,29H,2-3,6-11H2,1H3,(H,25,26);3-4,12-14H,5-10H2,1-2H3,(H,26,27);3-4,12-15H,5-10H2,1-2H3,(H,25,26)
• InChIKey: BFWHCYANXAUKRM-UHFFFAOYSA-N
• XLogP: 24.07
• TPSA: 479.62 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 23
• Rotatable Bonds: 24
• Heavy Atoms: 179
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2450.87
LogP ≤ 5	24.07
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	23

Frequently Asked Questions

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

The IUPAC name of 3-(4-cyclopropyl-5-fluoro-2H-indazol-3-yl)-1-(5-hydroxy-2-azatricyclo[3.3.1.13,7]decan-2-yl)butan-1-one;2-[3-fluoro-3-(4-fluoro-5-methoxy-2H-indazol-3-yl)butanoyl]-2-azatricyclo[3.3.1.13,7]decane-5-carbonitrile;3-[4-(5-fluorofuran-2-yl)-2H-indazol-3-yl]-1-(5-hydroxy-2-azatricyclo[3.3.1.13,7]decan-2-yl)butan-1-one;2-[3-(4-fluoro-5-methoxy-2H-indazol-3-yl)butanoyl]-2-azatricyclo[3.3.1.13,7]decane-5-carbonitrile;2-[2-[1-(4-fluoro-5-methoxy-2H-indazol-3-yl)cyclopropyl]acetyl]-2-azatricyclo[3.3.1.13,7]decane-5-carbonitrile;2-[3-(4-fluoro-5-methoxy-2H-indazol-3-yl)-3-methylbutanoyl]-2-azatricyclo[3.3.1.13,7]decane-5-carbonitrile (CID 157336250) is 3-(4-cyclopropyl-5-fluoro-2H-indazol-3-yl)-1-(5-hydroxy-2-azatricyclo[3.3.1.13,7]decan-2-yl)butan-1-one;2-[3-fluoro-3-(4-fluoro-5-methoxy-2H-indazol-3-yl)butanoyl]-2-azatricyclo[3.3.1.13,7]decane-5-carbonitrile;3-[4-(5-fluorofuran-2-yl)-2H-indazol-3-yl]-1-(5-hydroxy-2-azatricyclo[3.3.1.13,7]decan-2-yl)butan-1-one;2-[3-(4-fluoro-5-methoxy-2H-indazol-3-yl)butanoyl]-2-azatricyclo[3.3.1.13,7]decane-5-carbonitrile;2-[2-[1-(4-fluoro-5-methoxy-2H-indazol-3-yl)cyclopropyl]acetyl]-2-azatricyclo[3.3.1.13,7]decane-5-carbonitrile;2-[3-(4-fluoro-5-methoxy-2H-indazol-3-yl)-3-methylbutanoyl]-2-azatricyclo[3.3.1.13,7]decane-5-carbonitrile.

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

The canonical SMILES for 3-(4-cyclopropyl-5-fluoro-2H-indazol-3-yl)-1-(5-hydroxy-2-azatricyclo[3.3.1.13,7]decan-2-yl)butan-1-one;2-[3-fluoro-3-(4-fluoro-5-methoxy-2H-indazol-3-yl)butanoyl]-2-azatricyclo[3.3.1.13,7]decane-5-carbonitrile;3-[4-(5-fluorofuran-2-yl)-2H-indazol-3-yl]-1-(5-hydroxy-2-azatricyclo[3.3.1.13,7]decan-2-yl)butan-1-one;2-[3-(4-fluoro-5-methoxy-2H-indazol-3-yl)butanoyl]-2-azatricyclo[3.3.1.13,7]decane-5-carbonitrile;2-[2-[1-(4-fluoro-5-methoxy-2H-indazol-3-yl)cyclopropyl]acetyl]-2-azatricyclo[3.3.1.13,7]decane-5-carbonitrile;2-[3-(4-fluoro-5-methoxy-2H-indazol-3-yl)-3-methylbutanoyl]-2-azatricyclo[3.3.1.13,7]decane-5-carbonitrile is CC(CC(=O)N1C2CC3CC1CC(O)(C3)C2)c1[nH]nc2ccc(F)c(C3CC3)c12.CC(CC(=O)N1C2CC3CC1CC(O)(C3)C2)c1[nH]nc2cccc(-c3ccc(F)o3)c12.COc1ccc2n[nH]c(C(C)(C)CC(=O)N3C4CC5CC3CC(C#N)(C5)C4)c2c1F.COc1ccc2n[nH]c(C(C)(F)CC(=O)N3C4CC5CC3CC(C#N)(C5)C4)c2c1F.COc1ccc2n[nH]c(C(C)CC(=O)N3C4CC5CC3CC(C#N)(C5)C4)c2c1F.COc1ccc2n[nH]c(C3(CC(=O)N4C5CC6CC4CC(C#N)(C6)C5)CC3)c2c1F.

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

The InChIKey is BFWHCYANXAUKRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26FN3O3.C23H25FN4O2.C23H27FN4O2.C23H28FN3O2.C22H24F2N4O2.C22H25FN4O2/c1-13(7-21(29)28-15-8-14-9-16(28)12-24(30,10-14)11-15)23-22-17(19-5-6-20(25)31-19)3-2-4-18(22)26-27-23;1-30-17-3-2-16-19(20(17)24)21(27-26-16)23(4-5-23)11-18(29)28-14-6-13-7-15(28)10-22(8-13,9-14)12-25;1-22(2,21-19-16(26-27-21)4-5-17(30-3)20(19)24)11-18(29)28-14-6-13-7-15(28)10-23(8-13,9-14)12-25;1-12(22-21-18(25-26-22)5-4-17(24)20(21)14-2-3-14)6-19(28)27-15-7-13-8-16(27)11-23(29,9-13)10-15;1-21(24,20-18-15(26-27-20)3-4-16(30-2)19(18)23)10-17(29)28-13-5-12-6-14(28)9-22(7-12,8-13)11-25;1-12(21-19-16(25-26-21)3-4-17(29-2)20(19)23)5-18(28)27-14-6-13-7-15(27)10-22(8-13,9-14)11-24/h2-6,13-16,30H,7-12H2,1H3,(H,26,27);2-3,13-15H,4-11H2,1H3,(H,26,27);4-5,13-15H,6-11H2,1-3H3,(H,26,27);4-5,12-16,29H,2-3,6-11H2,1H3,(H,25,26);3-4,12-14H,5-10H2,1-2H3,(H,26,27);3-4,12-15H,5-10H2,1-2H3,(H,25,26).

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

3-(4-cyclopropyl-5-fluoro-2H-indazol-3-yl)-1-(5-hydroxy-2-azatricyclo[3.3.1.13,7]decan-2-yl)butan-1-one;2-[3-fluoro-3-(4-fluoro-5-methoxy-2H-indazol-3-yl)butanoyl]-2-azatricyclo[3.3.1.13,7]decane-5-carbonitrile;3-[4-(5-fluorofuran-2-yl)-2H-indazol-3-yl]-1-(5-hydroxy-2-azatricyclo[3.3.1.13,7]decan-2-yl)butan-1-one;2-[3-(4-fluoro-5-methoxy-2H-indazol-3-yl)butanoyl]-2-azatricyclo[3.3.1.13,7]decane-5-carbonitrile;2-[2-[1-(4-fluoro-5-methoxy-2H-indazol-3-yl)cyclopropyl]acetyl]-2-azatricyclo[3.3.1.13,7]decane-5-carbonitrile;2-[3-(4-fluoro-5-methoxy-2H-indazol-3-yl)-3-methylbutanoyl]-2-azatricyclo[3.3.1.13,7]decane-5-carbonitrile has a molecular weight of 2450.87 g/mol, XLogP of 24.07, 24 rotatable bonds, 8 hydrogen bond donors, and 23 hydrogen bond acceptors.

Where does this data come from?

All data for 3-(4-cyclopropyl-5-fluoro-2H-indazol-3-yl)-1-(5-hydroxy-2-azatricyclo[3.3.1.13,7]decan-2-yl)butan-1-one;2-[3-fluoro-3-(4-fluoro-5-methoxy-2H-indazol-3-yl)butanoyl]-2-azatricyclo[3.3.1.13,7]decane-5-carbonitrile;3-[4-(5-fluorofuran-2-yl)-2H-indazol-3-yl]-1-(5-hydroxy-2-azatricyclo[3.3.1.13,7]decan-2-yl)butan-1-one;2-[3-(4-fluoro-5-methoxy-2H-indazol-3-yl)butanoyl]-2-azatricyclo[3.3.1.13,7]decane-5-carbonitrile;2-[2-[1-(4-fluoro-5-methoxy-2H-indazol-3-yl)cyclopropyl]acetyl]-2-azatricyclo[3.3.1.13,7]decane-5-carbonitrile;2-[3-(4-fluoro-5-methoxy-2H-indazol-3-yl)-3-methylbutanoyl]-2-azatricyclo[3.3.1.13,7]decane-5-carbonitrile is sourced from PubChem (CID 157336250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).