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

C137H167Cl3F4N20O13 — CID 161263716

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

2-(4-chloro-5-fluoro-1-methylindazol-3-yl)-1-(5-hydroxy-7-methyl-2-azatricyclo[3.3.1.13,7]decan-2-yl)propan-1-one;2-[2-(4-chloro-5-fluoro-1-methylindazol-3-yl)propanoyl]-7-methyl-2-azatricyclo[3.3.1.13,7]decane-5-carbonitrile;2-(4-chloro-5-methoxy-1-methylindazol-3-yl)-1-(5-hydroxy-7-methyl-2-azatricyclo[3.3.1.13,7]decan-2-yl)propan-1-one;2-[2-(4-cyclopropyl-5-fluoro-1-methylindazol-3-yl)propanoyl]-7-methyl-2-azatricyclo[3.3.1.13,7]decane-5-carbonitrile;2-(4-cyclopropyl-5-methoxy-1-methylindazol-3-yl)-1-(5-hydroxy-7-methyl-2-azatricyclo[3.3.1.13,7]decan-2-yl)propan-1-one;2-(4-fluoro-5-methoxy-1-methylindazol-3-yl)-1-(5-hydroxy-7-methyl-2-azatricyclo[3.3.1.13,7]decan-2-yl)propan-1-one (PubChem CID 161263716) has the molecular formula C137H167Cl3F4N20O13 and a molecular weight of 2484.32 g/mol. Its IUPAC name is 2-(4-chloro-5-fluoro-1-methylindazol-3-yl)-1-(5-hydroxy-7-methyl-2-azatricyclo[3.3.1.13,7]decan-2-yl)propan-1-one;2-[2-(4-chloro-5-fluoro-1-methylindazol-3-yl)propanoyl]-7-methyl-2-azatricyclo[3.3.1.13,7]decane-5-carbonitrile;2-(4-chloro-5-methoxy-1-methylindazol-3-yl)-1-(5-hydroxy-7-methyl-2-azatricyclo[3.3.1.13,7]decan-2-yl)propan-1-one;2-[2-(4-cyclopropyl-5-fluoro-1-methylindazol-3-yl)propanoyl]-7-methyl-2-azatricyclo[3.3.1.13,7]decane-5-carbonitrile;2-(4-cyclopropyl-5-methoxy-1-methylindazol-3-yl)-1-(5-hydroxy-7-methyl-2-azatricyclo[3.3.1.13,7]decan-2-yl)propan-1-one;2-(4-fluoro-5-methoxy-1-methylindazol-3-yl)-1-(5-hydroxy-7-methyl-2-azatricyclo[3.3.1.13,7]decan-2-yl)propan-1-one.

Molecular Properties

• Compound Name: 2-(4-chloro-5-fluoro-1-methylindazol-3-yl)-1-(5-hydroxy-7-methyl-2-azatricyclo[3.3.1.13,7]decan-2-yl)propan-1-one;2-[2-(4-chloro-5-fluoro-1-methylindazol-3-yl)propanoyl]-7-methyl-2-azatricyclo[3.3.1.13,7]decane-5-carbonitrile;2-(4-chloro-5-methoxy-1-methylindazol-3-yl)-1-(5-hydroxy-7-methyl-2-azatricyclo[3.3.1.13,7]decan-2-yl)propan-1-one;2-[2-(4-cyclopropyl-5-fluoro-1-methylindazol-3-yl)propanoyl]-7-methyl-2-azatricyclo[3.3.1.13,7]decane-5-carbonitrile;2-(4-cyclopropyl-5-methoxy-1-methylindazol-3-yl)-1-(5-hydroxy-7-methyl-2-azatricyclo[3.3.1.13,7]decan-2-yl)propan-1-one;2-(4-fluoro-5-methoxy-1-methylindazol-3-yl)-1-(5-hydroxy-7-methyl-2-azatricyclo[3.3.1.13,7]decan-2-yl)propan-1-one
• PubChem CID: 161263716
• Molecular Formula: C137H167Cl3F4N20O13
• Molecular Weight: 2484.32 g/mol
• Exact Mass: 2481.20
• IUPAC Name: 2-(4-chloro-5-fluoro-1-methylindazol-3-yl)-1-(5-hydroxy-7-methyl-2-azatricyclo[3.3.1.13,7]decan-2-yl)propan-1-one;2-[2-(4-chloro-5-fluoro-1-methylindazol-3-yl)propanoyl]-7-methyl-2-azatricyclo[3.3.1.13,7]decane-5-carbonitrile;2-(4-chloro-5-methoxy-1-methylindazol-3-yl)-1-(5-hydroxy-7-methyl-2-azatricyclo[3.3.1.13,7]decan-2-yl)propan-1-one;2-[2-(4-cyclopropyl-5-fluoro-1-methylindazol-3-yl)propanoyl]-7-methyl-2-azatricyclo[3.3.1.13,7]decane-5-carbonitrile;2-(4-cyclopropyl-5-methoxy-1-methylindazol-3-yl)-1-(5-hydroxy-7-methyl-2-azatricyclo[3.3.1.13,7]decan-2-yl)propan-1-one;2-(4-fluoro-5-methoxy-1-methylindazol-3-yl)-1-(5-hydroxy-7-methyl-2-azatricyclo[3.3.1.13,7]decan-2-yl)propan-1-one
• SMILES: CC(C(=O)N1C2CC3(C)CC1CC(C#N)(C2)C3)c1nn(C)c2ccc(F)c(C3CC3)c12.CC(C(=O)N1C2CC3(C)CC1CC(C#N)(C2)C3)c1nn(C)c2ccc(F)c(Cl)c12.CC(C(=O)N1C2CC3(C)CC1CC(O)(C2)C3)c1nn(C)c2ccc(F)c(Cl)c12.COc1ccc2c(c(C(C)C(=O)N3C4CC5(C)CC3CC(O)(C4)C5)nn2C)c1C1CC1.COc1ccc2c(c(C(C)C(=O)N3C4CC5(C)CC3CC(O)(C4)C5)nn2C)c1Cl.COc1ccc2c(c(C(C)C(=O)N3C4CC5(C)CC3CC(O)(C4)C5)nn2C)c1F
• InChI: InChI=1S/C25H29FN4O.C25H33N3O3.C22H24ClFN4O.C22H28ClN3O3.C22H28FN3O3.C21H25ClFN3O2/c1-14(22-21-19(29(3)28-22)7-6-18(26)20(21)15-4-5-15)23(31)30-16-8-24(2)9-17(30)11-25(10-16,12-24)13-27;1-14(23(29)28-16-9-24(2)10-17(28)12-25(30,11-16)13-24)22-21-18(27(3)26-22)7-8-19(31-4)20(21)15-5-6-15;1-12(19-17-16(27(3)26-19)5-4-15(24)18(17)23)20(29)28-13-6-21(2)7-14(28)9-22(8-13,10-21)11-25;2*1-12(19-17-15(25(3)24-19)5-6-16(29-4)18(17)23)20(27)26-13-7-21(2)8-14(26)10-22(28,9-13)11-21;1-11(18-16-15(25(3)24-18)5-4-14(23)17(16)22)19(27)26-12-6-20(2)7-13(26)9-21(28,8-12)10-20/h6-7,14-17H,4-5,8-12H2,1-3H3;7-8,14-17,30H,5-6,9-13H2,1-4H3;4-5,12-14H,6-10H2,1-3H3;2*5-6,12-14,28H,7-11H2,1-4H3;4-5,11-13,28H,6-10H2,1-3H3
• InChIKey: VCWZCFINUAPCAD-UHFFFAOYSA-N
• XLogP: 23.68
• TPSA: 384.97 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 27
• Rotatable Bonds: 17
• Heavy Atoms: 177
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2484.32
LogP ≤ 5	23.68
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	27

Frequently Asked Questions

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

The IUPAC name of 2-(4-chloro-5-fluoro-1-methylindazol-3-yl)-1-(5-hydroxy-7-methyl-2-azatricyclo[3.3.1.13,7]decan-2-yl)propan-1-one;2-[2-(4-chloro-5-fluoro-1-methylindazol-3-yl)propanoyl]-7-methyl-2-azatricyclo[3.3.1.13,7]decane-5-carbonitrile;2-(4-chloro-5-methoxy-1-methylindazol-3-yl)-1-(5-hydroxy-7-methyl-2-azatricyclo[3.3.1.13,7]decan-2-yl)propan-1-one;2-[2-(4-cyclopropyl-5-fluoro-1-methylindazol-3-yl)propanoyl]-7-methyl-2-azatricyclo[3.3.1.13,7]decane-5-carbonitrile;2-(4-cyclopropyl-5-methoxy-1-methylindazol-3-yl)-1-(5-hydroxy-7-methyl-2-azatricyclo[3.3.1.13,7]decan-2-yl)propan-1-one;2-(4-fluoro-5-methoxy-1-methylindazol-3-yl)-1-(5-hydroxy-7-methyl-2-azatricyclo[3.3.1.13,7]decan-2-yl)propan-1-one (CID 161263716) is 2-(4-chloro-5-fluoro-1-methylindazol-3-yl)-1-(5-hydroxy-7-methyl-2-azatricyclo[3.3.1.13,7]decan-2-yl)propan-1-one;2-[2-(4-chloro-5-fluoro-1-methylindazol-3-yl)propanoyl]-7-methyl-2-azatricyclo[3.3.1.13,7]decane-5-carbonitrile;2-(4-chloro-5-methoxy-1-methylindazol-3-yl)-1-(5-hydroxy-7-methyl-2-azatricyclo[3.3.1.13,7]decan-2-yl)propan-1-one;2-[2-(4-cyclopropyl-5-fluoro-1-methylindazol-3-yl)propanoyl]-7-methyl-2-azatricyclo[3.3.1.13,7]decane-5-carbonitrile;2-(4-cyclopropyl-5-methoxy-1-methylindazol-3-yl)-1-(5-hydroxy-7-methyl-2-azatricyclo[3.3.1.13,7]decan-2-yl)propan-1-one;2-(4-fluoro-5-methoxy-1-methylindazol-3-yl)-1-(5-hydroxy-7-methyl-2-azatricyclo[3.3.1.13,7]decan-2-yl)propan-1-one.

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

The canonical SMILES for 2-(4-chloro-5-fluoro-1-methylindazol-3-yl)-1-(5-hydroxy-7-methyl-2-azatricyclo[3.3.1.13,7]decan-2-yl)propan-1-one;2-[2-(4-chloro-5-fluoro-1-methylindazol-3-yl)propanoyl]-7-methyl-2-azatricyclo[3.3.1.13,7]decane-5-carbonitrile;2-(4-chloro-5-methoxy-1-methylindazol-3-yl)-1-(5-hydroxy-7-methyl-2-azatricyclo[3.3.1.13,7]decan-2-yl)propan-1-one;2-[2-(4-cyclopropyl-5-fluoro-1-methylindazol-3-yl)propanoyl]-7-methyl-2-azatricyclo[3.3.1.13,7]decane-5-carbonitrile;2-(4-cyclopropyl-5-methoxy-1-methylindazol-3-yl)-1-(5-hydroxy-7-methyl-2-azatricyclo[3.3.1.13,7]decan-2-yl)propan-1-one;2-(4-fluoro-5-methoxy-1-methylindazol-3-yl)-1-(5-hydroxy-7-methyl-2-azatricyclo[3.3.1.13,7]decan-2-yl)propan-1-one is CC(C(=O)N1C2CC3(C)CC1CC(C#N)(C2)C3)c1nn(C)c2ccc(F)c(C3CC3)c12.CC(C(=O)N1C2CC3(C)CC1CC(C#N)(C2)C3)c1nn(C)c2ccc(F)c(Cl)c12.CC(C(=O)N1C2CC3(C)CC1CC(O)(C2)C3)c1nn(C)c2ccc(F)c(Cl)c12.COc1ccc2c(c(C(C)C(=O)N3C4CC5(C)CC3CC(O)(C4)C5)nn2C)c1C1CC1.COc1ccc2c(c(C(C)C(=O)N3C4CC5(C)CC3CC(O)(C4)C5)nn2C)c1Cl.COc1ccc2c(c(C(C)C(=O)N3C4CC5(C)CC3CC(O)(C4)C5)nn2C)c1F.

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

The InChIKey is VCWZCFINUAPCAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29FN4O.C25H33N3O3.C22H24ClFN4O.C22H28ClN3O3.C22H28FN3O3.C21H25ClFN3O2/c1-14(22-21-19(29(3)28-22)7-6-18(26)20(21)15-4-5-15)23(31)30-16-8-24(2)9-17(30)11-25(10-16,12-24)13-27;1-14(23(29)28-16-9-24(2)10-17(28)12-25(30,11-16)13-24)22-21-18(27(3)26-22)7-8-19(31-4)20(21)15-5-6-15;1-12(19-17-16(27(3)26-19)5-4-15(24)18(17)23)20(29)28-13-6-21(2)7-14(28)9-22(8-13,10-21)11-25;2*1-12(19-17-15(25(3)24-19)5-6-16(29-4)18(17)23)20(27)26-13-7-21(2)8-14(26)10-22(28,9-13)11-21;1-11(18-16-15(25(3)24-18)5-4-14(23)17(16)22)19(27)26-12-6-20(2)7-13(26)9-21(28,8-12)10-20/h6-7,14-17H,4-5,8-12H2,1-3H3;7-8,14-17,30H,5-6,9-13H2,1-4H3;4-5,12-14H,6-10H2,1-3H3;2*5-6,12-14,28H,7-11H2,1-4H3;4-5,11-13,28H,6-10H2,1-3H3.

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

2-(4-chloro-5-fluoro-1-methylindazol-3-yl)-1-(5-hydroxy-7-methyl-2-azatricyclo[3.3.1.13,7]decan-2-yl)propan-1-one;2-[2-(4-chloro-5-fluoro-1-methylindazol-3-yl)propanoyl]-7-methyl-2-azatricyclo[3.3.1.13,7]decane-5-carbonitrile;2-(4-chloro-5-methoxy-1-methylindazol-3-yl)-1-(5-hydroxy-7-methyl-2-azatricyclo[3.3.1.13,7]decan-2-yl)propan-1-one;2-[2-(4-cyclopropyl-5-fluoro-1-methylindazol-3-yl)propanoyl]-7-methyl-2-azatricyclo[3.3.1.13,7]decane-5-carbonitrile;2-(4-cyclopropyl-5-methoxy-1-methylindazol-3-yl)-1-(5-hydroxy-7-methyl-2-azatricyclo[3.3.1.13,7]decan-2-yl)propan-1-one;2-(4-fluoro-5-methoxy-1-methylindazol-3-yl)-1-(5-hydroxy-7-methyl-2-azatricyclo[3.3.1.13,7]decan-2-yl)propan-1-one has a molecular weight of 2484.32 g/mol, XLogP of 23.68, 17 rotatable bonds, 4 hydrogen bond donors, and 27 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(4-chloro-5-fluoro-1-methylindazol-3-yl)-1-(5-hydroxy-7-methyl-2-azatricyclo[3.3.1.13,7]decan-2-yl)propan-1-one;2-[2-(4-chloro-5-fluoro-1-methylindazol-3-yl)propanoyl]-7-methyl-2-azatricyclo[3.3.1.13,7]decane-5-carbonitrile;2-(4-chloro-5-methoxy-1-methylindazol-3-yl)-1-(5-hydroxy-7-methyl-2-azatricyclo[3.3.1.13,7]decan-2-yl)propan-1-one;2-[2-(4-cyclopropyl-5-fluoro-1-methylindazol-3-yl)propanoyl]-7-methyl-2-azatricyclo[3.3.1.13,7]decane-5-carbonitrile;2-(4-cyclopropyl-5-methoxy-1-methylindazol-3-yl)-1-(5-hydroxy-7-methyl-2-azatricyclo[3.3.1.13,7]decan-2-yl)propan-1-one;2-(4-fluoro-5-methoxy-1-methylindazol-3-yl)-1-(5-hydroxy-7-methyl-2-azatricyclo[3.3.1.13,7]decan-2-yl)propan-1-one is sourced from PubChem (CID 161263716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).