1-ethyl-6-methoxy-2-(phenoxymethyl)indole-3-carbonitrile;6-fluoro-1-(4-methoxyphenyl)indole-3-carbonitrile;6-methoxy-1-methyl-2-(3-methylphenyl)indole-3-carbonitrile;1-(4-methoxyphenyl)-3-(4-phenyl-1,3-thiazol-2-yl)indole-6-carboxamide

C78H64FN9O6S — CID 161266380

About 1-ethyl-6-methoxy-2-(phenoxymethyl)indole-3-carbonitrile;6-fluoro-1-(4-methoxyphenyl)indole-3-carbonitrile;6-methoxy-1-methyl-2-(3-methylphenyl)indole-3-carbonitrile;1-(4-methoxyphenyl)-3-(4-phenyl-1,3-thiazol-2-yl)indole-6-carboxamide

1-ethyl-6-methoxy-2-(phenoxymethyl)indole-3-carbonitrile;6-fluoro-1-(4-methoxyphenyl)indole-3-carbonitrile;6-methoxy-1-methyl-2-(3-methylphenyl)indole-3-carbonitrile;1-(4-methoxyphenyl)-3-(4-phenyl-1,3-thiazol-2-yl)indole-6-carboxamide (PubChem CID 161266380) has the molecular formula C78H64FN9O6S and a molecular weight of 1274.49 g/mol. Its IUPAC name is 1-ethyl-6-methoxy-2-(phenoxymethyl)indole-3-carbonitrile;6-fluoro-1-(4-methoxyphenyl)indole-3-carbonitrile;6-methoxy-1-methyl-2-(3-methylphenyl)indole-3-carbonitrile;1-(4-methoxyphenyl)-3-(4-phenyl-1,3-thiazol-2-yl)indole-6-carboxamide.

Molecular Properties

• Compound Name: 1-ethyl-6-methoxy-2-(phenoxymethyl)indole-3-carbonitrile;6-fluoro-1-(4-methoxyphenyl)indole-3-carbonitrile;6-methoxy-1-methyl-2-(3-methylphenyl)indole-3-carbonitrile;1-(4-methoxyphenyl)-3-(4-phenyl-1,3-thiazol-2-yl)indole-6-carboxamide
• PubChem CID: 161266380
• Molecular Formula: C78H64FN9O6S
• Molecular Weight: 1274.49 g/mol
• Exact Mass: 1273.47
• IUPAC Name: 1-ethyl-6-methoxy-2-(phenoxymethyl)indole-3-carbonitrile;6-fluoro-1-(4-methoxyphenyl)indole-3-carbonitrile;6-methoxy-1-methyl-2-(3-methylphenyl)indole-3-carbonitrile;1-(4-methoxyphenyl)-3-(4-phenyl-1,3-thiazol-2-yl)indole-6-carboxamide
• SMILES: CCn1c(COc2ccccc2)c(C#N)c2ccc(OC)cc21.COc1ccc(-n2cc(-c3nc(-c4ccccc4)cs3)c3ccc(C(N)=O)cc32)cc1.COc1ccc(-n2cc(C#N)c3ccc(F)cc32)cc1.COc1ccc2c(C#N)c(-c3cccc(C)c3)n(C)c2c1
• InChI: InChI=1S/C25H19N3O2S.C19H18N2O2.C18H16N2O.C16H11FN2O/c1-30-19-10-8-18(9-11-19)28-14-21(20-12-7-17(24(26)29)13-23(20)28)25-27-22(15-31-25)16-5-3-2-4-6-16;1-3-21-18-11-15(22-2)9-10-16(18)17(12-20)19(21)13-23-14-7-5-4-6-8-14;1-12-5-4-6-13(9-12)18-16(11-19)15-8-7-14(21-3)10-17(15)20(18)2;1-20-14-5-3-13(4-6-14)19-10-11(9-18)15-7-2-12(17)8-16(15)19/h2-15H,1H3,(H2,26,29);4-11H,3,13H2,1-2H3;4-10H,1-3H3;2-8,10H,1H3
• InChIKey: VDFYPNAMLVZTIA-UHFFFAOYSA-N
• XLogP: 17.33
• TPSA: 193.22 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 15
• Rotatable Bonds: 14
• Heavy Atoms: 95
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1274.49
LogP ≤ 5	17.33
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	15

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-6-methoxy-2-(phenoxymethyl)indole-3-carbonitrile;6-fluoro-1-(4-methoxyphenyl)indole-3-carbonitrile;6-methoxy-1-methyl-2-(3-methylphenyl)indole-3-carbonitrile;1-(4-methoxyphenyl)-3-(4-phenyl-1,3-thiazol-2-yl)indole-6-carboxamide?

The IUPAC name of 1-ethyl-6-methoxy-2-(phenoxymethyl)indole-3-carbonitrile;6-fluoro-1-(4-methoxyphenyl)indole-3-carbonitrile;6-methoxy-1-methyl-2-(3-methylphenyl)indole-3-carbonitrile;1-(4-methoxyphenyl)-3-(4-phenyl-1,3-thiazol-2-yl)indole-6-carboxamide (CID 161266380) is 1-ethyl-6-methoxy-2-(phenoxymethyl)indole-3-carbonitrile;6-fluoro-1-(4-methoxyphenyl)indole-3-carbonitrile;6-methoxy-1-methyl-2-(3-methylphenyl)indole-3-carbonitrile;1-(4-methoxyphenyl)-3-(4-phenyl-1,3-thiazol-2-yl)indole-6-carboxamide.

What is the SMILES notation for 1-ethyl-6-methoxy-2-(phenoxymethyl)indole-3-carbonitrile;6-fluoro-1-(4-methoxyphenyl)indole-3-carbonitrile;6-methoxy-1-methyl-2-(3-methylphenyl)indole-3-carbonitrile;1-(4-methoxyphenyl)-3-(4-phenyl-1,3-thiazol-2-yl)indole-6-carboxamide?

The canonical SMILES for 1-ethyl-6-methoxy-2-(phenoxymethyl)indole-3-carbonitrile;6-fluoro-1-(4-methoxyphenyl)indole-3-carbonitrile;6-methoxy-1-methyl-2-(3-methylphenyl)indole-3-carbonitrile;1-(4-methoxyphenyl)-3-(4-phenyl-1,3-thiazol-2-yl)indole-6-carboxamide is CCn1c(COc2ccccc2)c(C#N)c2ccc(OC)cc21.COc1ccc(-n2cc(-c3nc(-c4ccccc4)cs3)c3ccc(C(N)=O)cc32)cc1.COc1ccc(-n2cc(C#N)c3ccc(F)cc32)cc1.COc1ccc2c(C#N)c(-c3cccc(C)c3)n(C)c2c1.

What is the InChIKey of 1-ethyl-6-methoxy-2-(phenoxymethyl)indole-3-carbonitrile;6-fluoro-1-(4-methoxyphenyl)indole-3-carbonitrile;6-methoxy-1-methyl-2-(3-methylphenyl)indole-3-carbonitrile;1-(4-methoxyphenyl)-3-(4-phenyl-1,3-thiazol-2-yl)indole-6-carboxamide?

The InChIKey is VDFYPNAMLVZTIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H19N3O2S.C19H18N2O2.C18H16N2O.C16H11FN2O/c1-30-19-10-8-18(9-11-19)28-14-21(20-12-7-17(24(26)29)13-23(20)28)25-27-22(15-31-25)16-5-3-2-4-6-16;1-3-21-18-11-15(22-2)9-10-16(18)17(12-20)19(21)13-23-14-7-5-4-6-8-14;1-12-5-4-6-13(9-12)18-16(11-19)15-8-7-14(21-3)10-17(15)20(18)2;1-20-14-5-3-13(4-6-14)19-10-11(9-18)15-7-2-12(17)8-16(15)19/h2-15H,1H3,(H2,26,29);4-11H,3,13H2,1-2H3;4-10H,1-3H3;2-8,10H,1H3.

What are the key properties of 1-ethyl-6-methoxy-2-(phenoxymethyl)indole-3-carbonitrile;6-fluoro-1-(4-methoxyphenyl)indole-3-carbonitrile;6-methoxy-1-methyl-2-(3-methylphenyl)indole-3-carbonitrile;1-(4-methoxyphenyl)-3-(4-phenyl-1,3-thiazol-2-yl)indole-6-carboxamide?

1-ethyl-6-methoxy-2-(phenoxymethyl)indole-3-carbonitrile;6-fluoro-1-(4-methoxyphenyl)indole-3-carbonitrile;6-methoxy-1-methyl-2-(3-methylphenyl)indole-3-carbonitrile;1-(4-methoxyphenyl)-3-(4-phenyl-1,3-thiazol-2-yl)indole-6-carboxamide has a molecular weight of 1274.49 g/mol, XLogP of 17.33, 14 rotatable bonds, 1 hydrogen bond donors, and 15 hydrogen bond acceptors.

Where does this data come from?

All data for 1-ethyl-6-methoxy-2-(phenoxymethyl)indole-3-carbonitrile;6-fluoro-1-(4-methoxyphenyl)indole-3-carbonitrile;6-methoxy-1-methyl-2-(3-methylphenyl)indole-3-carbonitrile;1-(4-methoxyphenyl)-3-(4-phenyl-1,3-thiazol-2-yl)indole-6-carboxamide is sourced from PubChem (CID 161266380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).