methyl 2-[4-cyano-1-[2-(dimethylamino)ethyl]-5-methoxy-2-methylindol-3-yl]acetate;methyl 2-[6-cyano-1-[2-(dimethylamino)ethyl]-5-methoxy-2-methylindol-3-yl]acetate;methyl 2-[1-[2-(dimethylamino)ethyl]-5-methoxy-2-methyl-4-(trifluoromethyl)indol-3-yl]acetate;methyl 2-[1-[2-(dimethylamino)ethyl]-5-methoxy-2-methyl-6-(trifluoromethyl)indol-3-yl]acetate

C72H92F6N10O12 — CID 159735815

About methyl 2-[4-cyano-1-[2-(dimethylamino)ethyl]-5-methoxy-2-methylindol-3-yl]acetate;methyl 2-[6-cyano-1-[2-(dimethylamino)ethyl]-5-methoxy-2-methylindol-3-yl]acetate;methyl 2-[1-[2-(dimethylamino)ethyl]-5-methoxy-2-methyl-4-(trifluoromethyl)indol-3-yl]acetate;methyl 2-[1-[2-(dimethylamino)ethyl]-5-methoxy-2-methyl-6-(trifluoromethyl)indol-3-yl]acetate

methyl 2-[4-cyano-1-[2-(dimethylamino)ethyl]-5-methoxy-2-methylindol-3-yl]acetate;methyl 2-[6-cyano-1-[2-(dimethylamino)ethyl]-5-methoxy-2-methylindol-3-yl]acetate;methyl 2-[1-[2-(dimethylamino)ethyl]-5-methoxy-2-methyl-4-(trifluoromethyl)indol-3-yl]acetate;methyl 2-[1-[2-(dimethylamino)ethyl]-5-methoxy-2-methyl-6-(trifluoromethyl)indol-3-yl]acetate (PubChem CID 159735815) has the molecular formula C72H92F6N10O12 and a molecular weight of 1403.57 g/mol. Its IUPAC name is methyl 2-[4-cyano-1-[2-(dimethylamino)ethyl]-5-methoxy-2-methylindol-3-yl]acetate;methyl 2-[6-cyano-1-[2-(dimethylamino)ethyl]-5-methoxy-2-methylindol-3-yl]acetate;methyl 2-[1-[2-(dimethylamino)ethyl]-5-methoxy-2-methyl-4-(trifluoromethyl)indol-3-yl]acetate;methyl 2-[1-[2-(dimethylamino)ethyl]-5-methoxy-2-methyl-6-(trifluoromethyl)indol-3-yl]acetate.

Molecular Properties

• Compound Name: methyl 2-[4-cyano-1-[2-(dimethylamino)ethyl]-5-methoxy-2-methylindol-3-yl]acetate;methyl 2-[6-cyano-1-[2-(dimethylamino)ethyl]-5-methoxy-2-methylindol-3-yl]acetate;methyl 2-[1-[2-(dimethylamino)ethyl]-5-methoxy-2-methyl-4-(trifluoromethyl)indol-3-yl]acetate;methyl 2-[1-[2-(dimethylamino)ethyl]-5-methoxy-2-methyl-6-(trifluoromethyl)indol-3-yl]acetate
• PubChem CID: 159735815
• Molecular Formula: C72H92F6N10O12
• Molecular Weight: 1403.57 g/mol
• Exact Mass: 1402.68
• IUPAC Name: methyl 2-[4-cyano-1-[2-(dimethylamino)ethyl]-5-methoxy-2-methylindol-3-yl]acetate;methyl 2-[6-cyano-1-[2-(dimethylamino)ethyl]-5-methoxy-2-methylindol-3-yl]acetate;methyl 2-[1-[2-(dimethylamino)ethyl]-5-methoxy-2-methyl-4-(trifluoromethyl)indol-3-yl]acetate;methyl 2-[1-[2-(dimethylamino)ethyl]-5-methoxy-2-methyl-6-(trifluoromethyl)indol-3-yl]acetate
• SMILES: COC(=O)Cc1c(C)n(CCN(C)C)c2cc(C#N)c(OC)cc12.COC(=O)Cc1c(C)n(CCN(C)C)c2cc(C(F)(F)F)c(OC)cc12.COC(=O)Cc1c(C)n(CCN(C)C)c2ccc(OC)c(C#N)c12.COC(=O)Cc1c(C)n(CCN(C)C)c2ccc(OC)c(C(F)(F)F)c12
• InChI: InChI=1S/2C18H23F3N2O3.2C18H23N3O3/c1-11-12(9-17(24)26-5)13-8-16(25-4)14(18(19,20)21)10-15(13)23(11)7-6-22(2)3;1-11-12(10-15(24)26-5)16-13(23(11)9-8-22(2)3)6-7-14(25-4)17(16)18(19,20)21;1-12-14(10-18(22)24-5)15-9-17(23-4)13(11-19)8-16(15)21(12)7-6-20(2)3;1-12-13(10-17(22)24-5)18-14(11-19)16(23-4)7-6-15(18)21(12)9-8-20(2)3/h8,10H,6-7,9H2,1-5H3;6-7H,8-10H2,1-5H3;8-9H,6-7,10H2,1-5H3;6-7H,8-10H2,1-5H3
• InChIKey: NBVCMFXVKUHRFK-UHFFFAOYSA-N
• XLogP: 10.72
• TPSA: 222.38 Ų
• H-Bond Acceptors: 22
• Rotatable Bonds: 24
• Heavy Atoms: 100
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1403.57
LogP ≤ 5	10.72
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	22

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}, {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of methyl 2-[4-cyano-1-[2-(dimethylamino)ethyl]-5-methoxy-2-methylindol-3-yl]acetate;methyl 2-[6-cyano-1-[2-(dimethylamino)ethyl]-5-methoxy-2-methylindol-3-yl]acetate;methyl 2-[1-[2-(dimethylamino)ethyl]-5-methoxy-2-methyl-4-(trifluoromethyl)indol-3-yl]acetate;methyl 2-[1-[2-(dimethylamino)ethyl]-5-methoxy-2-methyl-6-(trifluoromethyl)indol-3-yl]acetate?

The IUPAC name of methyl 2-[4-cyano-1-[2-(dimethylamino)ethyl]-5-methoxy-2-methylindol-3-yl]acetate;methyl 2-[6-cyano-1-[2-(dimethylamino)ethyl]-5-methoxy-2-methylindol-3-yl]acetate;methyl 2-[1-[2-(dimethylamino)ethyl]-5-methoxy-2-methyl-4-(trifluoromethyl)indol-3-yl]acetate;methyl 2-[1-[2-(dimethylamino)ethyl]-5-methoxy-2-methyl-6-(trifluoromethyl)indol-3-yl]acetate (CID 159735815) is methyl 2-[4-cyano-1-[2-(dimethylamino)ethyl]-5-methoxy-2-methylindol-3-yl]acetate;methyl 2-[6-cyano-1-[2-(dimethylamino)ethyl]-5-methoxy-2-methylindol-3-yl]acetate;methyl 2-[1-[2-(dimethylamino)ethyl]-5-methoxy-2-methyl-4-(trifluoromethyl)indol-3-yl]acetate;methyl 2-[1-[2-(dimethylamino)ethyl]-5-methoxy-2-methyl-6-(trifluoromethyl)indol-3-yl]acetate.

What is the SMILES notation for methyl 2-[4-cyano-1-[2-(dimethylamino)ethyl]-5-methoxy-2-methylindol-3-yl]acetate;methyl 2-[6-cyano-1-[2-(dimethylamino)ethyl]-5-methoxy-2-methylindol-3-yl]acetate;methyl 2-[1-[2-(dimethylamino)ethyl]-5-methoxy-2-methyl-4-(trifluoromethyl)indol-3-yl]acetate;methyl 2-[1-[2-(dimethylamino)ethyl]-5-methoxy-2-methyl-6-(trifluoromethyl)indol-3-yl]acetate?

The canonical SMILES for methyl 2-[4-cyano-1-[2-(dimethylamino)ethyl]-5-methoxy-2-methylindol-3-yl]acetate;methyl 2-[6-cyano-1-[2-(dimethylamino)ethyl]-5-methoxy-2-methylindol-3-yl]acetate;methyl 2-[1-[2-(dimethylamino)ethyl]-5-methoxy-2-methyl-4-(trifluoromethyl)indol-3-yl]acetate;methyl 2-[1-[2-(dimethylamino)ethyl]-5-methoxy-2-methyl-6-(trifluoromethyl)indol-3-yl]acetate is COC(=O)Cc1c(C)n(CCN(C)C)c2cc(C#N)c(OC)cc12.COC(=O)Cc1c(C)n(CCN(C)C)c2cc(C(F)(F)F)c(OC)cc12.COC(=O)Cc1c(C)n(CCN(C)C)c2ccc(OC)c(C#N)c12.COC(=O)Cc1c(C)n(CCN(C)C)c2ccc(OC)c(C(F)(F)F)c12.

What is the InChIKey of methyl 2-[4-cyano-1-[2-(dimethylamino)ethyl]-5-methoxy-2-methylindol-3-yl]acetate;methyl 2-[6-cyano-1-[2-(dimethylamino)ethyl]-5-methoxy-2-methylindol-3-yl]acetate;methyl 2-[1-[2-(dimethylamino)ethyl]-5-methoxy-2-methyl-4-(trifluoromethyl)indol-3-yl]acetate;methyl 2-[1-[2-(dimethylamino)ethyl]-5-methoxy-2-methyl-6-(trifluoromethyl)indol-3-yl]acetate?

The InChIKey is NBVCMFXVKUHRFK-UHFFFAOYSA-N. The full InChI is InChI=1S/2C18H23F3N2O3.2C18H23N3O3/c1-11-12(9-17(24)26-5)13-8-16(25-4)14(18(19,20)21)10-15(13)23(11)7-6-22(2)3;1-11-12(10-15(24)26-5)16-13(23(11)9-8-22(2)3)6-7-14(25-4)17(16)18(19,20)21;1-12-14(10-18(22)24-5)15-9-17(23-4)13(11-19)8-16(15)21(12)7-6-20(2)3;1-12-13(10-17(22)24-5)18-14(11-19)16(23-4)7-6-15(18)21(12)9-8-20(2)3/h8,10H,6-7,9H2,1-5H3;6-7H,8-10H2,1-5H3;8-9H,6-7,10H2,1-5H3;6-7H,8-10H2,1-5H3.

What are the key properties of methyl 2-[4-cyano-1-[2-(dimethylamino)ethyl]-5-methoxy-2-methylindol-3-yl]acetate;methyl 2-[6-cyano-1-[2-(dimethylamino)ethyl]-5-methoxy-2-methylindol-3-yl]acetate;methyl 2-[1-[2-(dimethylamino)ethyl]-5-methoxy-2-methyl-4-(trifluoromethyl)indol-3-yl]acetate;methyl 2-[1-[2-(dimethylamino)ethyl]-5-methoxy-2-methyl-6-(trifluoromethyl)indol-3-yl]acetate?

methyl 2-[4-cyano-1-[2-(dimethylamino)ethyl]-5-methoxy-2-methylindol-3-yl]acetate;methyl 2-[6-cyano-1-[2-(dimethylamino)ethyl]-5-methoxy-2-methylindol-3-yl]acetate;methyl 2-[1-[2-(dimethylamino)ethyl]-5-methoxy-2-methyl-4-(trifluoromethyl)indol-3-yl]acetate;methyl 2-[1-[2-(dimethylamino)ethyl]-5-methoxy-2-methyl-6-(trifluoromethyl)indol-3-yl]acetate has a molecular weight of 1403.57 g/mol, XLogP of 10.72, 24 rotatable bonds, 0 hydrogen bond donors, and 22 hydrogen bond acceptors.

Where does this data come from?

All data for methyl 2-[4-cyano-1-[2-(dimethylamino)ethyl]-5-methoxy-2-methylindol-3-yl]acetate;methyl 2-[6-cyano-1-[2-(dimethylamino)ethyl]-5-methoxy-2-methylindol-3-yl]acetate;methyl 2-[1-[2-(dimethylamino)ethyl]-5-methoxy-2-methyl-4-(trifluoromethyl)indol-3-yl]acetate;methyl 2-[1-[2-(dimethylamino)ethyl]-5-methoxy-2-methyl-6-(trifluoromethyl)indol-3-yl]acetate is sourced from PubChem (CID 159735815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).