1-(2-chloroethyl)-3-[4-(3-cyano-6-ethoxy-1-ethylindol-2-yl)phenyl]urea;2-[3-cyano-2-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-1-propylindol-6-yl]oxyethyl acetate;[3-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]thiourea;2-[4-(diethoxyphosphorylamino)phenyl]-6-ethoxy-1-ethylindole-3-carbonitrile;2-[4-(2,4-dioxoimidazolidin-1-yl)phenyl]-6-ethoxy-1-ethylindole-3-carbonitrile;1-ethyl-6-methoxy-2-[4-(2-oxoimidazolidin-1-yl)phenyl]indole-3-carbonitrile

C132H136ClN22O17PS2 — CID 157412702

IUPAC1-(2-chloroethyl)-3-[4-(3-cyano-6-ethoxy-1-ethylindol-2-yl)phenyl]urea;2-[3-cyano-2-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-1-propylindol-6-yl]oxyethyl acetate;[3-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]thiourea;2-[4-(diethoxyphosphorylamino)phenyl]-6-ethoxy-1-ethylindole-3-carbonitrile;2-[4-(2,4-dioxoimidazolidin-1-yl)phenyl]-6-ethoxy-1-ethylindole-3-carbonitrile;1-ethyl-6-methoxy-2-[4-(2-oxoimidazolidin-1-yl)phenyl]indole-3-carbonitrile
SMILESCCCn1c(-c2ccc(N3CCCS3(=O)=O)cc2)c(C#N)c2ccc(OCCOC(C)=O)cc21.CCOc1ccc2c(C#N)c(-c3ccc(N4CC(=O)NC4=O)cc3)n(CC)c2c1.CCOc1ccc2c(C#N)c(-c3ccc(NC(=O)NCCCl)cc3)n(CC)c2c1.CCOc1ccc2c(C#N)c(-c3ccc(NP(=O)(OCC)OCC)cc3)n(CC)c2c1.CCn1c(-c2ccc(N3CCNC3=O)cc2)c(C#N)c2ccc(OC)cc21.CCn1c(-c2cccc(NC(N)=S)c2)c(C#N)c2ccc(OC)cc21
InChIInChI=1S/C25H27N3O5S.C23H28N3O4P.C22H23ClN4O2.C22H20N4O3.C21H20N4O2.C19H18N4OS/c1-3-11-27-24-16-21(33-14-13-32-18(2)29)9-10-22(24)23(17-26)25(27)19-5-7-20(8-6-19)28-12-4-15-34(28,30)31;1-5-26-22-15-19(28-6-2)13-14-20(22)21(16-24)23(26)17-9-11-18(12-10-17)25-31(27,29-7-3)30-8-4;1-3-27-20-13-17(29-4-2)9-10-18(20)19(14-24)21(27)15-5-7-16(8-6-15)26-22(28)25-12-11-23;1-3-25-19-11-16(29-4-2)9-10-17(19)18(12-23)21(25)14-5-7-15(8-6-14)26-13-20(27)24-22(26)28;1-3-24-19-12-16(27-2)8-9-17(19)18(13-22)20(24)14-4-6-15(7-5-14)25-11-10-23-21(25)26;1-3-23-17-10-14(24-2)7-8-15(17)16(11-20)18(23)12-5-4-6-13(9-12)22-19(21)25/h5-10,16H,3-4,11-15H2,1-2H3;9-15H,5-8H2,1-4H3,(H,25,27);5-10,13H,3-4,11-12H2,1-2H3,(H2,25,26,28);5-11H,3-4,13H2,1-2H3,(H,24,27,28);4-9,12H,3,10-11H2,1-2H3,(H,23,26);4-10H,3H2,1-2H3,(H3,21,22,25)
InChIKeyBOLWMPQDELZZOW-UHFFFAOYSA-N
MW2433.24 g/mol
LogP26.48
Rot. Bonds38

About 1-(2-chloroethyl)-3-[4-(3-cyano-6-ethoxy-1-ethylindol-2-yl)phenyl]urea;2-[3-cyano-2-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-1-propylindol-6-yl]oxyethyl acetate;[3-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]thiourea;2-[4-(diethoxyphosphorylamino)phenyl]-6-ethoxy-1-ethylindole-3-carbonitrile;2-[4-(2,4-dioxoimidazolidin-1-yl)phenyl]-6-ethoxy-1-ethylindole-3-carbonitrile;1-ethyl-6-methoxy-2-[4-(2-oxoimidazolidin-1-yl)phenyl]indole-3-carbonitrile

1-(2-chloroethyl)-3-[4-(3-cyano-6-ethoxy-1-ethylindol-2-yl)phenyl]urea;2-[3-cyano-2-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-1-propylindol-6-yl]oxyethyl acetate;[3-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]thiourea;2-[4-(diethoxyphosphorylamino)phenyl]-6-ethoxy-1-ethylindole-3-carbonitrile;2-[4-(2,4-dioxoimidazolidin-1-yl)phenyl]-6-ethoxy-1-ethylindole-3-carbonitrile;1-ethyl-6-methoxy-2-[4-(2-oxoimidazolidin-1-yl)phenyl]indole-3-carbonitrile (PubChem CID 157412702) has the molecular formula C132H136ClN22O17PS2 and a molecular weight of 2433.24 g/mol. Its IUPAC name is 1-(2-chloroethyl)-3-[4-(3-cyano-6-ethoxy-1-ethylindol-2-yl)phenyl]urea;2-[3-cyano-2-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-1-propylindol-6-yl]oxyethyl acetate;[3-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]thiourea;2-[4-(diethoxyphosphorylamino)phenyl]-6-ethoxy-1-ethylindole-3-carbonitrile;2-[4-(2,4-dioxoimidazolidin-1-yl)phenyl]-6-ethoxy-1-ethylindole-3-carbonitrile;1-ethyl-6-methoxy-2-[4-(2-oxoimidazolidin-1-yl)phenyl]indole-3-carbonitrile.

Molecular Properties

Compound Name1-(2-chloroethyl)-3-[4-(3-cyano-6-ethoxy-1-ethylindol-2-yl)phenyl]urea;2-[3-cyano-2-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-1-propylindol-6-yl]oxyethyl acetate;[3-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]thiourea;2-[4-(diethoxyphosphorylamino)phenyl]-6-ethoxy-1-ethylindole-3-carbonitrile;2-[4-(2,4-dioxoimidazolidin-1-yl)phenyl]-6-ethoxy-1-ethylindole-3-carbonitrile;1-ethyl-6-methoxy-2-[4-(2-oxoimidazolidin-1-yl)phenyl]indole-3-carbonitrile
PubChem CID157412702
Molecular FormulaC132H136ClN22O17PS2
Molecular Weight2433.24 g/mol
Exact Mass2430.93
IUPAC Name1-(2-chloroethyl)-3-[4-(3-cyano-6-ethoxy-1-ethylindol-2-yl)phenyl]urea;2-[3-cyano-2-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-1-propylindol-6-yl]oxyethyl acetate;[3-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]thiourea;2-[4-(diethoxyphosphorylamino)phenyl]-6-ethoxy-1-ethylindole-3-carbonitrile;2-[4-(2,4-dioxoimidazolidin-1-yl)phenyl]-6-ethoxy-1-ethylindole-3-carbonitrile;1-ethyl-6-methoxy-2-[4-(2-oxoimidazolidin-1-yl)phenyl]indole-3-carbonitrile
SMILESCCCn1c(-c2ccc(N3CCCS3(=O)=O)cc2)c(C#N)c2ccc(OCCOC(C)=O)cc21.CCOc1ccc2c(C#N)c(-c3ccc(N4CC(=O)NC4=O)cc3)n(CC)c2c1.CCOc1ccc2c(C#N)c(-c3ccc(NC(=O)NCCCl)cc3)n(CC)c2c1.CCOc1ccc2c(C#N)c(-c3ccc(NP(=O)(OCC)OCC)cc3)n(CC)c2c1.CCn1c(-c2ccc(N3CCNC3=O)cc2)c(C#N)c2ccc(OC)cc21.CCn1c(-c2cccc(NC(N)=S)c2)c(C#N)c2ccc(OC)cc21
InChIInChI=1S/C25H27N3O5S.C23H28N3O4P.C22H23ClN4O2.C22H20N4O3.C21H20N4O2.C19H18N4OS/c1-3-11-27-24-16-21(33-14-13-32-18(2)29)9-10-22(24)23(17-26)25(27)19-5-7-20(8-6-19)28-12-4-15-34(28,30)31;1-5-26-22-15-19(28-6-2)13-14-20(22)21(16-24)23(26)17-9-11-18(12-10-17)25-31(27,29-7-3)30-8-4;1-3-27-20-13-17(29-4-2)9-10-18(20)19(14-24)21(27)15-5-7-16(8-6-15)26-22(28)25-12-11-23;1-3-25-19-11-16(29-4-2)9-10-17(19)18(12-23)21(25)14-5-7-15(8-6-14)26-13-20(27)24-22(26)28;1-3-24-19-12-16(27-2)8-9-17(19)18(13-22)20(24)14-4-6-15(7-5-14)25-11-10-23-21(25)26;1-3-23-17-10-14(24-2)7-8-15(17)16(11-20)18(23)12-5-4-6-13(9-12)22-19(21)25/h5-10,16H,3-4,11-15H2,1-2H3;9-15H,5-8H2,1-4H3,(H,25,27);5-10,13H,3-4,11-12H2,1-2H3,(H2,25,26,28);5-11H,3-4,13H2,1-2H3,(H,24,27,28);4-9,12H,3,10-11H2,1-2H3,(H,23,26);4-10H,3H2,1-2H3,(H3,21,22,25)
InChIKeyBOLWMPQDELZZOW-UHFFFAOYSA-N
XLogP26.48
TPSA499.87 Ų
H-Bond Donors7
H-Bond Acceptors30
Rotatable Bonds38
Heavy Atoms175
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002433.24
LogP ≤ 526.48
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 1030

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'hydantoin', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

Analyze 1-(2-chloroethyl)-3-[4-(3-cyano-6-ethoxy-1-ethylindol-2-yl)phenyl]urea;2-[3-cyano-2-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-1-propylindol-6-yl]oxyethyl acetate;[3-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]thiourea;2-[4-(diethoxyphosphorylamino)phenyl]-6-ethoxy-1-ethylindole-3-carbonitrile;2-[4-(2,4-dioxoimidazolidin-1-yl)phenyl]-6-ethoxy-1-ethylindole-3-carbonitrile;1-ethyl-6-methoxy-2-[4-(2-oxoimidazolidin-1-yl)phenyl]indole-3-carbonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(2-chloroethyl)-3-[4-(3-cyano-6-ethoxy-1-ethylindol-2-yl)phenyl]urea;2-[3-cyano-2-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-1-propylindol-6-yl]oxyethyl acetate;[3-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]thiourea;2-[4-(diethoxyphosphorylamino)phenyl]-6-ethoxy-1-ethylindole-3-carbonitrile;2-[4-(2,4-dioxoimidazolidin-1-yl)phenyl]-6-ethoxy-1-ethylindole-3-carbonitrile;1-ethyl-6-methoxy-2-[4-(2-oxoimidazolidin-1-yl)phenyl]indole-3-carbonitrile?
The IUPAC name of 1-(2-chloroethyl)-3-[4-(3-cyano-6-ethoxy-1-ethylindol-2-yl)phenyl]urea;2-[3-cyano-2-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-1-propylindol-6-yl]oxyethyl acetate;[3-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]thiourea;2-[4-(diethoxyphosphorylamino)phenyl]-6-ethoxy-1-ethylindole-3-carbonitrile;2-[4-(2,4-dioxoimidazolidin-1-yl)phenyl]-6-ethoxy-1-ethylindole-3-carbonitrile;1-ethyl-6-methoxy-2-[4-(2-oxoimidazolidin-1-yl)phenyl]indole-3-carbonitrile (CID 157412702) is 1-(2-chloroethyl)-3-[4-(3-cyano-6-ethoxy-1-ethylindol-2-yl)phenyl]urea;2-[3-cyano-2-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-1-propylindol-6-yl]oxyethyl acetate;[3-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]thiourea;2-[4-(diethoxyphosphorylamino)phenyl]-6-ethoxy-1-ethylindole-3-carbonitrile;2-[4-(2,4-dioxoimidazolidin-1-yl)phenyl]-6-ethoxy-1-ethylindole-3-carbonitrile;1-ethyl-6-methoxy-2-[4-(2-oxoimidazolidin-1-yl)phenyl]indole-3-carbonitrile.
What is the SMILES notation for 1-(2-chloroethyl)-3-[4-(3-cyano-6-ethoxy-1-ethylindol-2-yl)phenyl]urea;2-[3-cyano-2-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-1-propylindol-6-yl]oxyethyl acetate;[3-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]thiourea;2-[4-(diethoxyphosphorylamino)phenyl]-6-ethoxy-1-ethylindole-3-carbonitrile;2-[4-(2,4-dioxoimidazolidin-1-yl)phenyl]-6-ethoxy-1-ethylindole-3-carbonitrile;1-ethyl-6-methoxy-2-[4-(2-oxoimidazolidin-1-yl)phenyl]indole-3-carbonitrile?
The canonical SMILES for 1-(2-chloroethyl)-3-[4-(3-cyano-6-ethoxy-1-ethylindol-2-yl)phenyl]urea;2-[3-cyano-2-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-1-propylindol-6-yl]oxyethyl acetate;[3-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]thiourea;2-[4-(diethoxyphosphorylamino)phenyl]-6-ethoxy-1-ethylindole-3-carbonitrile;2-[4-(2,4-dioxoimidazolidin-1-yl)phenyl]-6-ethoxy-1-ethylindole-3-carbonitrile;1-ethyl-6-methoxy-2-[4-(2-oxoimidazolidin-1-yl)phenyl]indole-3-carbonitrile is CCCn1c(-c2ccc(N3CCCS3(=O)=O)cc2)c(C#N)c2ccc(OCCOC(C)=O)cc21.CCOc1ccc2c(C#N)c(-c3ccc(N4CC(=O)NC4=O)cc3)n(CC)c2c1.CCOc1ccc2c(C#N)c(-c3ccc(NC(=O)NCCCl)cc3)n(CC)c2c1.CCOc1ccc2c(C#N)c(-c3ccc(NP(=O)(OCC)OCC)cc3)n(CC)c2c1.CCn1c(-c2ccc(N3CCNC3=O)cc2)c(C#N)c2ccc(OC)cc21.CCn1c(-c2cccc(NC(N)=S)c2)c(C#N)c2ccc(OC)cc21.
What is the InChIKey of 1-(2-chloroethyl)-3-[4-(3-cyano-6-ethoxy-1-ethylindol-2-yl)phenyl]urea;2-[3-cyano-2-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-1-propylindol-6-yl]oxyethyl acetate;[3-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]thiourea;2-[4-(diethoxyphosphorylamino)phenyl]-6-ethoxy-1-ethylindole-3-carbonitrile;2-[4-(2,4-dioxoimidazolidin-1-yl)phenyl]-6-ethoxy-1-ethylindole-3-carbonitrile;1-ethyl-6-methoxy-2-[4-(2-oxoimidazolidin-1-yl)phenyl]indole-3-carbonitrile?
The InChIKey is BOLWMPQDELZZOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27N3O5S.C23H28N3O4P.C22H23ClN4O2.C22H20N4O3.C21H20N4O2.C19H18N4OS/c1-3-11-27-24-16-21(33-14-13-32-18(2)29)9-10-22(24)23(17-26)25(27)19-5-7-20(8-6-19)28-12-4-15-34(28,30)31;1-5-26-22-15-19(28-6-2)13-14-20(22)21(16-24)23(26)17-9-11-18(12-10-17)25-31(27,29-7-3)30-8-4;1-3-27-20-13-17(29-4-2)9-10-18(20)19(14-24)21(27)15-5-7-16(8-6-15)26-22(28)25-12-11-23;1-3-25-19-11-16(29-4-2)9-10-17(19)18(12-23)21(25)14-5-7-15(8-6-14)26-13-20(27)24-22(26)28;1-3-24-19-12-16(27-2)8-9-17(19)18(13-22)20(24)14-4-6-15(7-5-14)25-11-10-23-21(25)26;1-3-23-17-10-14(24-2)7-8-15(17)16(11-20)18(23)12-5-4-6-13(9-12)22-19(21)25/h5-10,16H,3-4,11-15H2,1-2H3;9-15H,5-8H2,1-4H3,(H,25,27);5-10,13H,3-4,11-12H2,1-2H3,(H2,25,26,28);5-11H,3-4,13H2,1-2H3,(H,24,27,28);4-9,12H,3,10-11H2,1-2H3,(H,23,26);4-10H,3H2,1-2H3,(H3,21,22,25).
What are the key properties of 1-(2-chloroethyl)-3-[4-(3-cyano-6-ethoxy-1-ethylindol-2-yl)phenyl]urea;2-[3-cyano-2-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-1-propylindol-6-yl]oxyethyl acetate;[3-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]thiourea;2-[4-(diethoxyphosphorylamino)phenyl]-6-ethoxy-1-ethylindole-3-carbonitrile;2-[4-(2,4-dioxoimidazolidin-1-yl)phenyl]-6-ethoxy-1-ethylindole-3-carbonitrile;1-ethyl-6-methoxy-2-[4-(2-oxoimidazolidin-1-yl)phenyl]indole-3-carbonitrile?
1-(2-chloroethyl)-3-[4-(3-cyano-6-ethoxy-1-ethylindol-2-yl)phenyl]urea;2-[3-cyano-2-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-1-propylindol-6-yl]oxyethyl acetate;[3-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]thiourea;2-[4-(diethoxyphosphorylamino)phenyl]-6-ethoxy-1-ethylindole-3-carbonitrile;2-[4-(2,4-dioxoimidazolidin-1-yl)phenyl]-6-ethoxy-1-ethylindole-3-carbonitrile;1-ethyl-6-methoxy-2-[4-(2-oxoimidazolidin-1-yl)phenyl]indole-3-carbonitrile has a molecular weight of 2433.24 g/mol, XLogP of 26.48, 38 rotatable bonds, 7 hydrogen bond donors, and 30 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chloroethyl)-3-[4-(3-cyano-6-ethoxy-1-ethylindol-2-yl)phenyl]urea;2-[3-cyano-2-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-1-propylindol-6-yl]oxyethyl acetate;[3-(3-cyano-1-ethyl-6-methoxyindol-2-yl)phenyl]thiourea;2-[4-(diethoxyphosphorylamino)phenyl]-6-ethoxy-1-ethylindole-3-carbonitrile;2-[4-(2,4-dioxoimidazolidin-1-yl)phenyl]-6-ethoxy-1-ethylindole-3-carbonitrile;1-ethyl-6-methoxy-2-[4-(2-oxoimidazolidin-1-yl)phenyl]indole-3-carbonitrile is sourced from PubChem (CID 157412702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).