1-butyl-3-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)-2-fluorophenyl]urea;1-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)-2-fluorophenyl]-3-ethylurea;1-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)-2-fluorophenyl]-3-propan-2-ylurea;6-[2-(1,5-dihydropyrazol-2-yl)ethoxy]-2-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-1-ethylindole-3-carbonitrile;2-[3-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-6-ethoxy-1-ethylindole-3-carbonitrile;2-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-1-(2-methoxyethyl)-6-(trifluoromethoxy)indole-3-carbonitrile

C135H139F6N23O16S3 — CID 159039484

About 1-butyl-3-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)-2-fluorophenyl]urea;1-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)-2-fluorophenyl]-3-ethylurea;1-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)-2-fluorophenyl]-3-propan-2-ylurea;6-[2-(1,5-dihydropyrazol-2-yl)ethoxy]-2-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-1-ethylindole-3-carbonitrile;2-[3-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-6-ethoxy-1-ethylindole-3-carbonitrile;2-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-1-(2-methoxyethyl)-6-(trifluoromethoxy)indole-3-carbonitrile

1-butyl-3-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)-2-fluorophenyl]urea;1-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)-2-fluorophenyl]-3-ethylurea;1-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)-2-fluorophenyl]-3-propan-2-ylurea;6-[2-(1,5-dihydropyrazol-2-yl)ethoxy]-2-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-1-ethylindole-3-carbonitrile;2-[3-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-6-ethoxy-1-ethylindole-3-carbonitrile;2-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-1-(2-methoxyethyl)-6-(trifluoromethoxy)indole-3-carbonitrile (PubChem CID 159039484) has the molecular formula C135H139F6N23O16S3 and a molecular weight of 2549.93 g/mol. Its IUPAC name is 1-butyl-3-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)-2-fluorophenyl]urea;1-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)-2-fluorophenyl]-3-ethylurea;1-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)-2-fluorophenyl]-3-propan-2-ylurea;6-[2-(1,5-dihydropyrazol-2-yl)ethoxy]-2-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-1-ethylindole-3-carbonitrile;2-[3-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-6-ethoxy-1-ethylindole-3-carbonitrile;2-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-1-(2-methoxyethyl)-6-(trifluoromethoxy)indole-3-carbonitrile.

Molecular Properties

• Compound Name: 1-butyl-3-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)-2-fluorophenyl]urea;1-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)-2-fluorophenyl]-3-ethylurea;1-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)-2-fluorophenyl]-3-propan-2-ylurea;6-[2-(1,5-dihydropyrazol-2-yl)ethoxy]-2-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-1-ethylindole-3-carbonitrile;2-[3-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-6-ethoxy-1-ethylindole-3-carbonitrile;2-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-1-(2-methoxyethyl)-6-(trifluoromethoxy)indole-3-carbonitrile
• PubChem CID: 159039484
• Molecular Formula: C135H139F6N23O16S3
• Molecular Weight: 2549.93 g/mol
• Exact Mass: 2547.98
• IUPAC Name: 1-butyl-3-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)-2-fluorophenyl]urea;1-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)-2-fluorophenyl]-3-ethylurea;1-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)-2-fluorophenyl]-3-propan-2-ylurea;6-[2-(1,5-dihydropyrazol-2-yl)ethoxy]-2-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-1-ethylindole-3-carbonitrile;2-[3-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-6-ethoxy-1-ethylindole-3-carbonitrile;2-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-1-(2-methoxyethyl)-6-(trifluoromethoxy)indole-3-carbonitrile
• SMILES: CCCCNC(=O)Nc1ccc(-c2c(C#N)c3ccc(OC)cc3n2CC)cc1F.CCNC(=O)Nc1ccc(-c2c(C#N)c3ccc(OC)cc3n2CC)cc1F.CCOc1ccc2c(C#N)c(-c3cccc(N4CCCS4(=O)=O)c3)n(CC)c2c1.CCn1c(-c2ccc(N3CCCS3(=O)=O)cc2)c(C#N)c2ccc(OCCN3C=CCN3)cc21.CCn1c(-c2ccc(NC(=O)NC(C)C)c(F)c2)c(C#N)c2ccc(OC)cc21.COCCn1c(-c2ccc(N3CCCS3(=O)=O)cc2)c(C#N)c2ccc(OC(F)(F)F)cc21
• InChI: InChI=1S/C25H27N5O3S.C23H25FN4O2.C22H20F3N3O4S.C22H23FN4O2.C22H23N3O3S.C21H21FN4O2/c1-2-29-24-17-21(33-15-14-28-12-3-11-27-28)9-10-22(24)23(18-26)25(29)19-5-7-20(8-6-19)30-13-4-16-34(30,31)32;1-4-6-11-26-23(29)27-20-10-7-15(12-19(20)24)22-18(14-25)17-9-8-16(30-3)13-21(17)28(22)5-2;1-31-11-10-27-20-13-17(32-22(23,24)25)7-8-18(20)19(14-26)21(27)15-3-5-16(6-4-15)28-9-2-12-33(28,29)30;1-5-27-20-11-15(29-4)7-8-16(20)17(12-24)21(27)14-6-9-19(18(23)10-14)26-22(28)25-13(2)3;1-3-24-21-14-18(28-4-2)9-10-19(21)20(15-23)22(24)16-7-5-8-17(13-16)25-11-6-12-29(25,26)27;1-4-24-21(27)25-18-9-6-13(10-17(18)22)20-16(12-23)15-8-7-14(28-3)11-19(15)26(20)5-2/h3,5-10,12,17,27H,2,4,11,13-16H2,1H3;7-10,12-13H,4-6,11H2,1-3H3,(H2,26,27,29);3-8,13H,2,9-12H2,1H3;6-11,13H,5H2,1-4H3,(H2,25,26,28);5,7-10,13-14H,3-4,6,11-12H2,1-2H3;6-11H,4-5H2,1-3H3,(H2,24,25,27)
• InChIKey: JVWICXSFHVYRRD-UHFFFAOYSA-N
• XLogP: 26.49
• TPSA: 487.73 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 30
• Rotatable Bonds: 35
• Heavy Atoms: 183
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2549.93
LogP ≤ 5	26.49
H-Bond Donors ≤ 5	7
H-Bond Acceptors ≤ 10	30

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 1-butyl-3-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)-2-fluorophenyl]urea;1-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)-2-fluorophenyl]-3-ethylurea;1-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)-2-fluorophenyl]-3-propan-2-ylurea;6-[2-(1,5-dihydropyrazol-2-yl)ethoxy]-2-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-1-ethylindole-3-carbonitrile;2-[3-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-6-ethoxy-1-ethylindole-3-carbonitrile;2-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-1-(2-methoxyethyl)-6-(trifluoromethoxy)indole-3-carbonitrile?

The IUPAC name of 1-butyl-3-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)-2-fluorophenyl]urea;1-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)-2-fluorophenyl]-3-ethylurea;1-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)-2-fluorophenyl]-3-propan-2-ylurea;6-[2-(1,5-dihydropyrazol-2-yl)ethoxy]-2-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-1-ethylindole-3-carbonitrile;2-[3-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-6-ethoxy-1-ethylindole-3-carbonitrile;2-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-1-(2-methoxyethyl)-6-(trifluoromethoxy)indole-3-carbonitrile (CID 159039484) is 1-butyl-3-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)-2-fluorophenyl]urea;1-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)-2-fluorophenyl]-3-ethylurea;1-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)-2-fluorophenyl]-3-propan-2-ylurea;6-[2-(1,5-dihydropyrazol-2-yl)ethoxy]-2-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-1-ethylindole-3-carbonitrile;2-[3-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-6-ethoxy-1-ethylindole-3-carbonitrile;2-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-1-(2-methoxyethyl)-6-(trifluoromethoxy)indole-3-carbonitrile.

What is the SMILES notation for 1-butyl-3-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)-2-fluorophenyl]urea;1-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)-2-fluorophenyl]-3-ethylurea;1-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)-2-fluorophenyl]-3-propan-2-ylurea;6-[2-(1,5-dihydropyrazol-2-yl)ethoxy]-2-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-1-ethylindole-3-carbonitrile;2-[3-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-6-ethoxy-1-ethylindole-3-carbonitrile;2-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-1-(2-methoxyethyl)-6-(trifluoromethoxy)indole-3-carbonitrile?

The canonical SMILES for 1-butyl-3-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)-2-fluorophenyl]urea;1-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)-2-fluorophenyl]-3-ethylurea;1-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)-2-fluorophenyl]-3-propan-2-ylurea;6-[2-(1,5-dihydropyrazol-2-yl)ethoxy]-2-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-1-ethylindole-3-carbonitrile;2-[3-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-6-ethoxy-1-ethylindole-3-carbonitrile;2-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-1-(2-methoxyethyl)-6-(trifluoromethoxy)indole-3-carbonitrile is CCCCNC(=O)Nc1ccc(-c2c(C#N)c3ccc(OC)cc3n2CC)cc1F.CCNC(=O)Nc1ccc(-c2c(C#N)c3ccc(OC)cc3n2CC)cc1F.CCOc1ccc2c(C#N)c(-c3cccc(N4CCCS4(=O)=O)c3)n(CC)c2c1.CCn1c(-c2ccc(N3CCCS3(=O)=O)cc2)c(C#N)c2ccc(OCCN3C=CCN3)cc21.CCn1c(-c2ccc(NC(=O)NC(C)C)c(F)c2)c(C#N)c2ccc(OC)cc21.COCCn1c(-c2ccc(N3CCCS3(=O)=O)cc2)c(C#N)c2ccc(OC(F)(F)F)cc21.

What is the InChIKey of 1-butyl-3-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)-2-fluorophenyl]urea;1-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)-2-fluorophenyl]-3-ethylurea;1-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)-2-fluorophenyl]-3-propan-2-ylurea;6-[2-(1,5-dihydropyrazol-2-yl)ethoxy]-2-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-1-ethylindole-3-carbonitrile;2-[3-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-6-ethoxy-1-ethylindole-3-carbonitrile;2-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-1-(2-methoxyethyl)-6-(trifluoromethoxy)indole-3-carbonitrile?

The InChIKey is JVWICXSFHVYRRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27N5O3S.C23H25FN4O2.C22H20F3N3O4S.C22H23FN4O2.C22H23N3O3S.C21H21FN4O2/c1-2-29-24-17-21(33-15-14-28-12-3-11-27-28)9-10-22(24)23(18-26)25(29)19-5-7-20(8-6-19)30-13-4-16-34(30,31)32;1-4-6-11-26-23(29)27-20-10-7-15(12-19(20)24)22-18(14-25)17-9-8-16(30-3)13-21(17)28(22)5-2;1-31-11-10-27-20-13-17(32-22(23,24)25)7-8-18(20)19(14-26)21(27)15-3-5-16(6-4-15)28-9-2-12-33(28,29)30;1-5-27-20-11-15(29-4)7-8-16(20)17(12-24)21(27)14-6-9-19(18(23)10-14)26-22(28)25-13(2)3;1-3-24-21-14-18(28-4-2)9-10-19(21)20(15-23)22(24)16-7-5-8-17(13-16)25-11-6-12-29(25,26)27;1-4-24-21(27)25-18-9-6-13(10-17(18)22)20-16(12-23)15-8-7-14(28-3)11-19(15)26(20)5-2/h3,5-10,12,17,27H,2,4,11,13-16H2,1H3;7-10,12-13H,4-6,11H2,1-3H3,(H2,26,27,29);3-8,13H,2,9-12H2,1H3;6-11,13H,5H2,1-4H3,(H2,25,26,28);5,7-10,13-14H,3-4,6,11-12H2,1-2H3;6-11H,4-5H2,1-3H3,(H2,24,25,27).

What are the key properties of 1-butyl-3-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)-2-fluorophenyl]urea;1-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)-2-fluorophenyl]-3-ethylurea;1-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)-2-fluorophenyl]-3-propan-2-ylurea;6-[2-(1,5-dihydropyrazol-2-yl)ethoxy]-2-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-1-ethylindole-3-carbonitrile;2-[3-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-6-ethoxy-1-ethylindole-3-carbonitrile;2-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-1-(2-methoxyethyl)-6-(trifluoromethoxy)indole-3-carbonitrile?

1-butyl-3-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)-2-fluorophenyl]urea;1-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)-2-fluorophenyl]-3-ethylurea;1-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)-2-fluorophenyl]-3-propan-2-ylurea;6-[2-(1,5-dihydropyrazol-2-yl)ethoxy]-2-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-1-ethylindole-3-carbonitrile;2-[3-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-6-ethoxy-1-ethylindole-3-carbonitrile;2-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-1-(2-methoxyethyl)-6-(trifluoromethoxy)indole-3-carbonitrile has a molecular weight of 2549.93 g/mol, XLogP of 26.49, 35 rotatable bonds, 7 hydrogen bond donors, and 30 hydrogen bond acceptors.

Where does this data come from?

All data for 1-butyl-3-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)-2-fluorophenyl]urea;1-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)-2-fluorophenyl]-3-ethylurea;1-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)-2-fluorophenyl]-3-propan-2-ylurea;6-[2-(1,5-dihydropyrazol-2-yl)ethoxy]-2-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-1-ethylindole-3-carbonitrile;2-[3-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-6-ethoxy-1-ethylindole-3-carbonitrile;2-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-1-(2-methoxyethyl)-6-(trifluoromethoxy)indole-3-carbonitrile is sourced from PubChem (CID 159039484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).