1-butyl-3-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)-2-fluorophenyl]urea;N-[4-[3-cyano-1-ethyl-6-(2-fluoroethoxy)indol-2-yl]phenyl]propane-2-sulfonamide;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;N-[4-[3-cyano-1-ethyl-6-(trifluoromethoxy)indol-2-yl]phenyl]acetamide;N-[4-[3-cyano-1-ethyl-6-(trifluoromethoxy)indol-2-yl]phenyl]-2,2-dimethylpropanamide;N-[4-[3-cyano-1-ethyl-6-(trifluoromethoxy)indol-2-yl]phenyl]-3-phenylpropanamide;N-[4-[3-cyano-1-ethyl-6-(trifluoromethoxy)indol-2-yl]phenyl]propanamide;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-ethyl-6-(2-pyrazol-1-ylethoxy)indole-3-carbonitrile;2-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-1-(2-fluoroethyl)-6-(trifluoromethoxy)indole-3-carbonitrile;2-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-1-(2-methoxyethyl)-6-(trifluoromethoxy)indole-3-carbonitrile

C269H256F23N41O30S5 — CID 158624632

IUPAC1-butyl-3-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)-2-fluorophenyl]urea;N-[4-[3-cyano-1-ethyl-6-(2-fluoroethoxy)indol-2-yl]phenyl]propane-2-sulfonamide;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;N-[4-[3-cyano-1-ethyl-6-(trifluoromethoxy)indol-2-yl]phenyl]acetamide;N-[4-[3-cyano-1-ethyl-6-(trifluoromethoxy)indol-2-yl]phenyl]-2,2-dimethylpropanamide;N-[4-[3-cyano-1-ethyl-6-(trifluoromethoxy)indol-2-yl]phenyl]-3-phenylpropanamide;N-[4-[3-cyano-1-ethyl-6-(trifluoromethoxy)indol-2-yl]phenyl]propanamide;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-ethyl-6-(2-pyrazol-1-ylethoxy)indole-3-carbonitrile;2-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-1-(2-fluoroethyl)-6-(trifluoromethoxy)indole-3-carbonitrile;2-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-1-(2-methoxyethyl)-6-(trifluoromethoxy)indole-3-carbonitrile
SMILESCCC(=O)Nc1ccc(-c2c(C#N)c3ccc(OC(F)(F)F)cc3n2CC)cc1.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(OCCn3cccn3)cc21.CCn1c(-c2ccc(NC(=O)C(C)(C)C)cc2)c(C#N)c2ccc(OC(F)(F)F)cc21.CCn1c(-c2ccc(NC(=O)CCc3ccccc3)cc2)c(C#N)c2ccc(OC(F)(F)F)cc21.CCn1c(-c2ccc(NC(=O)NC(C)C)c(F)c2)c(C#N)c2ccc(OC)cc21.CCn1c(-c2ccc(NC(C)=O)cc2)c(C#N)c2ccc(OC(F)(F)F)cc21.CCn1c(-c2ccc(NS(=O)(=O)C(C)C)cc2)c(C#N)c2ccc(OCCF)cc21.COCCn1c(-c2ccc(N3CCCS3(=O)=O)cc2)c(C#N)c2ccc(OC(F)(F)F)cc21.N#Cc1c(-c2ccc(N3CCCS3(=O)=O)cc2)n(CCF)c2cc(OC(F)(F)F)ccc12
InChIInChI=1S/C27H22F3N3O2.C25H25N5O3S.C23H22F3N3O2.C23H25FN4O2.C22H20F3N3O4S.C22H23FN4O2.C22H24FN3O3S.C22H23N3O3S.C21H17F4N3O3S.C21H18F3N3O2.C21H21FN4O2.C20H16F3N3O2/c1-2-33-24-16-21(35-27(28,29)30)13-14-22(24)23(17-31)26(33)19-9-11-20(12-10-19)32-25(34)15-8-18-6-4-3-5-7-18;1-2-29-24-17-21(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;1-5-29-19-12-16(31-23(24,25)26)10-11-17(19)18(13-27)20(29)14-6-8-15(9-7-14)28-21(30)22(2,3)4;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;1-4-26-21-13-18(29-12-11-23)9-10-19(21)20(14-24)22(26)16-5-7-17(8-6-16)25-30(27,28)15(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;22-8-10-27-19-12-16(31-21(23,24)25)6-7-17(19)18(13-26)20(27)14-2-4-15(5-3-14)28-9-1-11-32(28,29)30;1-3-19(28)26-14-7-5-13(6-8-14)20-17(12-25)16-10-9-15(29-21(22,23)24)11-18(16)27(20)4-2;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;1-3-26-18-10-15(28-20(21,22)23)8-9-16(18)17(11-24)19(26)13-4-6-14(7-5-13)25-12(2)27/h3-7,9-14,16H,2,8,15H2,1H3,(H,32,34);3,5-12,17H,2,4,13-16H2,1H3;6-12H,5H2,1-4H3,(H,28,30);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);5-10,13,15,25H,4,11-12H2,1-3H3;5,7-10,13-14H,3-4,6,11-12H2,1-2H3;2-7,12H,1,8-11H2;5-11H,3-4H2,1-2H3,(H,26,28);6-11H,4-5H2,1-3H3,(H2,24,25,27);4-10H,3H2,1-2H3,(H,25,27)
InChIKeyHYKXGEHZBYKWLA-UHFFFAOYSA-N
MW5140.55 g/mol
LogP59.60
Rot. Bonds68

About 1-butyl-3-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)-2-fluorophenyl]urea;N-[4-[3-cyano-1-ethyl-6-(2-fluoroethoxy)indol-2-yl]phenyl]propane-2-sulfonamide;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;N-[4-[3-cyano-1-ethyl-6-(trifluoromethoxy)indol-2-yl]phenyl]acetamide;N-[4-[3-cyano-1-ethyl-6-(trifluoromethoxy)indol-2-yl]phenyl]-2,2-dimethylpropanamide;N-[4-[3-cyano-1-ethyl-6-(trifluoromethoxy)indol-2-yl]phenyl]-3-phenylpropanamide;N-[4-[3-cyano-1-ethyl-6-(trifluoromethoxy)indol-2-yl]phenyl]propanamide;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-ethyl-6-(2-pyrazol-1-ylethoxy)indole-3-carbonitrile;2-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-1-(2-fluoroethyl)-6-(trifluoromethoxy)indole-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;N-[4-[3-cyano-1-ethyl-6-(2-fluoroethoxy)indol-2-yl]phenyl]propane-2-sulfonamide;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;N-[4-[3-cyano-1-ethyl-6-(trifluoromethoxy)indol-2-yl]phenyl]acetamide;N-[4-[3-cyano-1-ethyl-6-(trifluoromethoxy)indol-2-yl]phenyl]-2,2-dimethylpropanamide;N-[4-[3-cyano-1-ethyl-6-(trifluoromethoxy)indol-2-yl]phenyl]-3-phenylpropanamide;N-[4-[3-cyano-1-ethyl-6-(trifluoromethoxy)indol-2-yl]phenyl]propanamide;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-ethyl-6-(2-pyrazol-1-ylethoxy)indole-3-carbonitrile;2-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-1-(2-fluoroethyl)-6-(trifluoromethoxy)indole-3-carbonitrile;2-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-1-(2-methoxyethyl)-6-(trifluoromethoxy)indole-3-carbonitrile (PubChem CID 158624632) has the molecular formula C269H256F23N41O30S5 and a molecular weight of 5140.55 g/mol. Its IUPAC name is 1-butyl-3-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)-2-fluorophenyl]urea;N-[4-[3-cyano-1-ethyl-6-(2-fluoroethoxy)indol-2-yl]phenyl]propane-2-sulfonamide;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;N-[4-[3-cyano-1-ethyl-6-(trifluoromethoxy)indol-2-yl]phenyl]acetamide;N-[4-[3-cyano-1-ethyl-6-(trifluoromethoxy)indol-2-yl]phenyl]-2,2-dimethylpropanamide;N-[4-[3-cyano-1-ethyl-6-(trifluoromethoxy)indol-2-yl]phenyl]-3-phenylpropanamide;N-[4-[3-cyano-1-ethyl-6-(trifluoromethoxy)indol-2-yl]phenyl]propanamide;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-ethyl-6-(2-pyrazol-1-ylethoxy)indole-3-carbonitrile;2-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-1-(2-fluoroethyl)-6-(trifluoromethoxy)indole-3-carbonitrile;2-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-1-(2-methoxyethyl)-6-(trifluoromethoxy)indole-3-carbonitrile.

Molecular Properties

Compound Name1-butyl-3-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)-2-fluorophenyl]urea;N-[4-[3-cyano-1-ethyl-6-(2-fluoroethoxy)indol-2-yl]phenyl]propane-2-sulfonamide;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;N-[4-[3-cyano-1-ethyl-6-(trifluoromethoxy)indol-2-yl]phenyl]acetamide;N-[4-[3-cyano-1-ethyl-6-(trifluoromethoxy)indol-2-yl]phenyl]-2,2-dimethylpropanamide;N-[4-[3-cyano-1-ethyl-6-(trifluoromethoxy)indol-2-yl]phenyl]-3-phenylpropanamide;N-[4-[3-cyano-1-ethyl-6-(trifluoromethoxy)indol-2-yl]phenyl]propanamide;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-ethyl-6-(2-pyrazol-1-ylethoxy)indole-3-carbonitrile;2-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-1-(2-fluoroethyl)-6-(trifluoromethoxy)indole-3-carbonitrile;2-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-1-(2-methoxyethyl)-6-(trifluoromethoxy)indole-3-carbonitrile
PubChem CID158624632
Molecular FormulaC269H256F23N41O30S5
Molecular Weight5140.55 g/mol
Exact Mass5136.80
IUPAC Name1-butyl-3-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)-2-fluorophenyl]urea;N-[4-[3-cyano-1-ethyl-6-(2-fluoroethoxy)indol-2-yl]phenyl]propane-2-sulfonamide;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;N-[4-[3-cyano-1-ethyl-6-(trifluoromethoxy)indol-2-yl]phenyl]acetamide;N-[4-[3-cyano-1-ethyl-6-(trifluoromethoxy)indol-2-yl]phenyl]-2,2-dimethylpropanamide;N-[4-[3-cyano-1-ethyl-6-(trifluoromethoxy)indol-2-yl]phenyl]-3-phenylpropanamide;N-[4-[3-cyano-1-ethyl-6-(trifluoromethoxy)indol-2-yl]phenyl]propanamide;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-ethyl-6-(2-pyrazol-1-ylethoxy)indole-3-carbonitrile;2-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-1-(2-fluoroethyl)-6-(trifluoromethoxy)indole-3-carbonitrile;2-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-1-(2-methoxyethyl)-6-(trifluoromethoxy)indole-3-carbonitrile
SMILESCCC(=O)Nc1ccc(-c2c(C#N)c3ccc(OC(F)(F)F)cc3n2CC)cc1.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(OCCn3cccn3)cc21.CCn1c(-c2ccc(NC(=O)C(C)(C)C)cc2)c(C#N)c2ccc(OC(F)(F)F)cc21.CCn1c(-c2ccc(NC(=O)CCc3ccccc3)cc2)c(C#N)c2ccc(OC(F)(F)F)cc21.CCn1c(-c2ccc(NC(=O)NC(C)C)c(F)c2)c(C#N)c2ccc(OC)cc21.CCn1c(-c2ccc(NC(C)=O)cc2)c(C#N)c2ccc(OC(F)(F)F)cc21.CCn1c(-c2ccc(NS(=O)(=O)C(C)C)cc2)c(C#N)c2ccc(OCCF)cc21.COCCn1c(-c2ccc(N3CCCS3(=O)=O)cc2)c(C#N)c2ccc(OC(F)(F)F)cc21.N#Cc1c(-c2ccc(N3CCCS3(=O)=O)cc2)n(CCF)c2cc(OC(F)(F)F)ccc12
InChIInChI=1S/C27H22F3N3O2.C25H25N5O3S.C23H22F3N3O2.C23H25FN4O2.C22H20F3N3O4S.C22H23FN4O2.C22H24FN3O3S.C22H23N3O3S.C21H17F4N3O3S.C21H18F3N3O2.C21H21FN4O2.C20H16F3N3O2/c1-2-33-24-16-21(35-27(28,29)30)13-14-22(24)23(17-31)26(33)19-9-11-20(12-10-19)32-25(34)15-8-18-6-4-3-5-7-18;1-2-29-24-17-21(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;1-5-29-19-12-16(31-23(24,25)26)10-11-17(19)18(13-27)20(29)14-6-8-15(9-7-14)28-21(30)22(2,3)4;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;1-4-26-21-13-18(29-12-11-23)9-10-19(21)20(14-24)22(26)16-5-7-17(8-6-16)25-30(27,28)15(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;22-8-10-27-19-12-16(31-21(23,24)25)6-7-17(19)18(13-26)20(27)14-2-4-15(5-3-14)28-9-1-11-32(28,29)30;1-3-19(28)26-14-7-5-13(6-8-14)20-17(12-25)16-10-9-15(29-21(22,23)24)11-18(16)27(20)4-2;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;1-3-26-18-10-15(28-20(21,22)23)8-9-16(18)17(11-24)19(26)13-4-6-14(7-5-13)25-12(2)27/h3-7,9-14,16H,2,8,15H2,1H3,(H,32,34);3,5-12,17H,2,4,13-16H2,1H3;6-12H,5H2,1-4H3,(H,28,30);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);5-10,13,15,25H,4,11-12H2,1-3H3;5,7-10,13-14H,3-4,6,11-12H2,1-2H3;2-7,12H,1,8-11H2;5-11H,3-4H2,1-2H3,(H,26,28);6-11H,4-5H2,1-3H3,(H2,24,25,27);4-10H,3H2,1-2H3,(H,25,27)
InChIKeyHYKXGEHZBYKWLA-UHFFFAOYSA-N
XLogP59.60
TPSA917.93 Ų
H-Bond Donors11
H-Bond Acceptors56
Rotatable Bonds68
Heavy Atoms368
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5005140.55
LogP ≤ 559.60
H-Bond Donors ≤ 511
H-Bond Acceptors ≤ 1056

Analyze 1-butyl-3-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)-2-fluorophenyl]urea;N-[4-[3-cyano-1-ethyl-6-(2-fluoroethoxy)indol-2-yl]phenyl]propane-2-sulfonamide;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;N-[4-[3-cyano-1-ethyl-6-(trifluoromethoxy)indol-2-yl]phenyl]acetamide;N-[4-[3-cyano-1-ethyl-6-(trifluoromethoxy)indol-2-yl]phenyl]-2,2-dimethylpropanamide;N-[4-[3-cyano-1-ethyl-6-(trifluoromethoxy)indol-2-yl]phenyl]-3-phenylpropanamide;N-[4-[3-cyano-1-ethyl-6-(trifluoromethoxy)indol-2-yl]phenyl]propanamide;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-ethyl-6-(2-pyrazol-1-ylethoxy)indole-3-carbonitrile;2-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-1-(2-fluoroethyl)-6-(trifluoromethoxy)indole-3-carbonitrile;2-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-1-(2-methoxyethyl)-6-(trifluoromethoxy)indole-3-carbonitrile with MolForge

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What is the IUPAC name of 1-butyl-3-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)-2-fluorophenyl]urea;N-[4-[3-cyano-1-ethyl-6-(2-fluoroethoxy)indol-2-yl]phenyl]propane-2-sulfonamide;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;N-[4-[3-cyano-1-ethyl-6-(trifluoromethoxy)indol-2-yl]phenyl]acetamide;N-[4-[3-cyano-1-ethyl-6-(trifluoromethoxy)indol-2-yl]phenyl]-2,2-dimethylpropanamide;N-[4-[3-cyano-1-ethyl-6-(trifluoromethoxy)indol-2-yl]phenyl]-3-phenylpropanamide;N-[4-[3-cyano-1-ethyl-6-(trifluoromethoxy)indol-2-yl]phenyl]propanamide;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-ethyl-6-(2-pyrazol-1-ylethoxy)indole-3-carbonitrile;2-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-1-(2-fluoroethyl)-6-(trifluoromethoxy)indole-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;N-[4-[3-cyano-1-ethyl-6-(2-fluoroethoxy)indol-2-yl]phenyl]propane-2-sulfonamide;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;N-[4-[3-cyano-1-ethyl-6-(trifluoromethoxy)indol-2-yl]phenyl]acetamide;N-[4-[3-cyano-1-ethyl-6-(trifluoromethoxy)indol-2-yl]phenyl]-2,2-dimethylpropanamide;N-[4-[3-cyano-1-ethyl-6-(trifluoromethoxy)indol-2-yl]phenyl]-3-phenylpropanamide;N-[4-[3-cyano-1-ethyl-6-(trifluoromethoxy)indol-2-yl]phenyl]propanamide;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-ethyl-6-(2-pyrazol-1-ylethoxy)indole-3-carbonitrile;2-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-1-(2-fluoroethyl)-6-(trifluoromethoxy)indole-3-carbonitrile;2-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-1-(2-methoxyethyl)-6-(trifluoromethoxy)indole-3-carbonitrile (CID 158624632) is 1-butyl-3-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)-2-fluorophenyl]urea;N-[4-[3-cyano-1-ethyl-6-(2-fluoroethoxy)indol-2-yl]phenyl]propane-2-sulfonamide;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;N-[4-[3-cyano-1-ethyl-6-(trifluoromethoxy)indol-2-yl]phenyl]acetamide;N-[4-[3-cyano-1-ethyl-6-(trifluoromethoxy)indol-2-yl]phenyl]-2,2-dimethylpropanamide;N-[4-[3-cyano-1-ethyl-6-(trifluoromethoxy)indol-2-yl]phenyl]-3-phenylpropanamide;N-[4-[3-cyano-1-ethyl-6-(trifluoromethoxy)indol-2-yl]phenyl]propanamide;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-ethyl-6-(2-pyrazol-1-ylethoxy)indole-3-carbonitrile;2-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-1-(2-fluoroethyl)-6-(trifluoromethoxy)indole-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;N-[4-[3-cyano-1-ethyl-6-(2-fluoroethoxy)indol-2-yl]phenyl]propane-2-sulfonamide;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;N-[4-[3-cyano-1-ethyl-6-(trifluoromethoxy)indol-2-yl]phenyl]acetamide;N-[4-[3-cyano-1-ethyl-6-(trifluoromethoxy)indol-2-yl]phenyl]-2,2-dimethylpropanamide;N-[4-[3-cyano-1-ethyl-6-(trifluoromethoxy)indol-2-yl]phenyl]-3-phenylpropanamide;N-[4-[3-cyano-1-ethyl-6-(trifluoromethoxy)indol-2-yl]phenyl]propanamide;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-ethyl-6-(2-pyrazol-1-ylethoxy)indole-3-carbonitrile;2-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-1-(2-fluoroethyl)-6-(trifluoromethoxy)indole-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;N-[4-[3-cyano-1-ethyl-6-(2-fluoroethoxy)indol-2-yl]phenyl]propane-2-sulfonamide;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;N-[4-[3-cyano-1-ethyl-6-(trifluoromethoxy)indol-2-yl]phenyl]acetamide;N-[4-[3-cyano-1-ethyl-6-(trifluoromethoxy)indol-2-yl]phenyl]-2,2-dimethylpropanamide;N-[4-[3-cyano-1-ethyl-6-(trifluoromethoxy)indol-2-yl]phenyl]-3-phenylpropanamide;N-[4-[3-cyano-1-ethyl-6-(trifluoromethoxy)indol-2-yl]phenyl]propanamide;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-ethyl-6-(2-pyrazol-1-ylethoxy)indole-3-carbonitrile;2-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-1-(2-fluoroethyl)-6-(trifluoromethoxy)indole-3-carbonitrile;2-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-1-(2-methoxyethyl)-6-(trifluoromethoxy)indole-3-carbonitrile is CCC(=O)Nc1ccc(-c2c(C#N)c3ccc(OC(F)(F)F)cc3n2CC)cc1.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(OCCn3cccn3)cc21.CCn1c(-c2ccc(NC(=O)C(C)(C)C)cc2)c(C#N)c2ccc(OC(F)(F)F)cc21.CCn1c(-c2ccc(NC(=O)CCc3ccccc3)cc2)c(C#N)c2ccc(OC(F)(F)F)cc21.CCn1c(-c2ccc(NC(=O)NC(C)C)c(F)c2)c(C#N)c2ccc(OC)cc21.CCn1c(-c2ccc(NC(C)=O)cc2)c(C#N)c2ccc(OC(F)(F)F)cc21.CCn1c(-c2ccc(NS(=O)(=O)C(C)C)cc2)c(C#N)c2ccc(OCCF)cc21.COCCn1c(-c2ccc(N3CCCS3(=O)=O)cc2)c(C#N)c2ccc(OC(F)(F)F)cc21.N#Cc1c(-c2ccc(N3CCCS3(=O)=O)cc2)n(CCF)c2cc(OC(F)(F)F)ccc12.
What is the InChIKey of 1-butyl-3-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)-2-fluorophenyl]urea;N-[4-[3-cyano-1-ethyl-6-(2-fluoroethoxy)indol-2-yl]phenyl]propane-2-sulfonamide;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;N-[4-[3-cyano-1-ethyl-6-(trifluoromethoxy)indol-2-yl]phenyl]acetamide;N-[4-[3-cyano-1-ethyl-6-(trifluoromethoxy)indol-2-yl]phenyl]-2,2-dimethylpropanamide;N-[4-[3-cyano-1-ethyl-6-(trifluoromethoxy)indol-2-yl]phenyl]-3-phenylpropanamide;N-[4-[3-cyano-1-ethyl-6-(trifluoromethoxy)indol-2-yl]phenyl]propanamide;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-ethyl-6-(2-pyrazol-1-ylethoxy)indole-3-carbonitrile;2-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-1-(2-fluoroethyl)-6-(trifluoromethoxy)indole-3-carbonitrile;2-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-1-(2-methoxyethyl)-6-(trifluoromethoxy)indole-3-carbonitrile?
The InChIKey is HYKXGEHZBYKWLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H22F3N3O2.C25H25N5O3S.C23H22F3N3O2.C23H25FN4O2.C22H20F3N3O4S.C22H23FN4O2.C22H24FN3O3S.C22H23N3O3S.C21H17F4N3O3S.C21H18F3N3O2.C21H21FN4O2.C20H16F3N3O2/c1-2-33-24-16-21(35-27(28,29)30)13-14-22(24)23(17-31)26(33)19-9-11-20(12-10-19)32-25(34)15-8-18-6-4-3-5-7-18;1-2-29-24-17-21(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;1-5-29-19-12-16(31-23(24,25)26)10-11-17(19)18(13-27)20(29)14-6-8-15(9-7-14)28-21(30)22(2,3)4;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;1-4-26-21-13-18(29-12-11-23)9-10-19(21)20(14-24)22(26)16-5-7-17(8-6-16)25-30(27,28)15(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;22-8-10-27-19-12-16(31-21(23,24)25)6-7-17(19)18(13-26)20(27)14-2-4-15(5-3-14)28-9-1-11-32(28,29)30;1-3-19(28)26-14-7-5-13(6-8-14)20-17(12-25)16-10-9-15(29-21(22,23)24)11-18(16)27(20)4-2;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;1-3-26-18-10-15(28-20(21,22)23)8-9-16(18)17(11-24)19(26)13-4-6-14(7-5-13)25-12(2)27/h3-7,9-14,16H,2,8,15H2,1H3,(H,32,34);3,5-12,17H,2,4,13-16H2,1H3;6-12H,5H2,1-4H3,(H,28,30);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);5-10,13,15,25H,4,11-12H2,1-3H3;5,7-10,13-14H,3-4,6,11-12H2,1-2H3;2-7,12H,1,8-11H2;5-11H,3-4H2,1-2H3,(H,26,28);6-11H,4-5H2,1-3H3,(H2,24,25,27);4-10H,3H2,1-2H3,(H,25,27).
What are the key properties of 1-butyl-3-[4-(3-cyano-1-ethyl-6-methoxyindol-2-yl)-2-fluorophenyl]urea;N-[4-[3-cyano-1-ethyl-6-(2-fluoroethoxy)indol-2-yl]phenyl]propane-2-sulfonamide;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;N-[4-[3-cyano-1-ethyl-6-(trifluoromethoxy)indol-2-yl]phenyl]acetamide;N-[4-[3-cyano-1-ethyl-6-(trifluoromethoxy)indol-2-yl]phenyl]-2,2-dimethylpropanamide;N-[4-[3-cyano-1-ethyl-6-(trifluoromethoxy)indol-2-yl]phenyl]-3-phenylpropanamide;N-[4-[3-cyano-1-ethyl-6-(trifluoromethoxy)indol-2-yl]phenyl]propanamide;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-ethyl-6-(2-pyrazol-1-ylethoxy)indole-3-carbonitrile;2-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-1-(2-fluoroethyl)-6-(trifluoromethoxy)indole-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;N-[4-[3-cyano-1-ethyl-6-(2-fluoroethoxy)indol-2-yl]phenyl]propane-2-sulfonamide;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;N-[4-[3-cyano-1-ethyl-6-(trifluoromethoxy)indol-2-yl]phenyl]acetamide;N-[4-[3-cyano-1-ethyl-6-(trifluoromethoxy)indol-2-yl]phenyl]-2,2-dimethylpropanamide;N-[4-[3-cyano-1-ethyl-6-(trifluoromethoxy)indol-2-yl]phenyl]-3-phenylpropanamide;N-[4-[3-cyano-1-ethyl-6-(trifluoromethoxy)indol-2-yl]phenyl]propanamide;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-ethyl-6-(2-pyrazol-1-ylethoxy)indole-3-carbonitrile;2-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-1-(2-fluoroethyl)-6-(trifluoromethoxy)indole-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 5140.55 g/mol, XLogP of 59.60, 68 rotatable bonds, 11 hydrogen bond donors, and 56 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;N-[4-[3-cyano-1-ethyl-6-(2-fluoroethoxy)indol-2-yl]phenyl]propane-2-sulfonamide;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;N-[4-[3-cyano-1-ethyl-6-(trifluoromethoxy)indol-2-yl]phenyl]acetamide;N-[4-[3-cyano-1-ethyl-6-(trifluoromethoxy)indol-2-yl]phenyl]-2,2-dimethylpropanamide;N-[4-[3-cyano-1-ethyl-6-(trifluoromethoxy)indol-2-yl]phenyl]-3-phenylpropanamide;N-[4-[3-cyano-1-ethyl-6-(trifluoromethoxy)indol-2-yl]phenyl]propanamide;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-ethyl-6-(2-pyrazol-1-ylethoxy)indole-3-carbonitrile;2-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-1-(2-fluoroethyl)-6-(trifluoromethoxy)indole-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 158624632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).