6-(3-chloropropoxy)-1-ethyl-2-[4-(2-oxoimidazolidin-1-yl)phenyl]indole-3-carbonitrile;6-(3-chloropropoxy)-1-ethyl-2-[4-(2-oxo-1,3-oxazolidin-3-yl)phenyl]indole-3-carbonitrile;1-[4-[3-cyano-6-ethoxy-1-(2-methylpropyl)indol-2-yl]phenyl]-3-ethylurea;1-[4-[3-cyano-6-ethoxy-1-(2-methylpropyl)indol-2-yl]phenyl]-3-propylurea;N-[4-[3-cyano-1-ethyl-6-(2-pyrrolidin-1-ylethoxy)indol-2-yl]phenyl]cyclopropanecarboxamide;2-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-1-ethyl-6-pyrazin-2-yloxyindole-3-carbonitrile;2-fluoroethyl N-[4-[3-cyano-6-ethoxy-1-(2-methylpropyl)indol-2-yl]phenyl]carbamate;methyl N-[4-(3-cyano-6-ethoxy-1-propylindol-2-yl)phenyl]carbamate;propan-2-yl N-[4-(3-cyano-6-ethoxy-1-propan-2-ylindol-2-yl)phenyl]carbamate;propan-2-yl N-[4-(3-cyano-6-ethoxy-1-propylindol-2-yl)phenyl]carbamate;propyl N-[4-(3-cyano-6-ethoxy-1-propan-2-ylindol-2-yl)phenyl]carbamate;propyl N-[4-(3-cyano-6-ethoxy-1-propylindol-2-yl)phenyl]carbamate

C288H311Cl2FN42O32S — CID 158761656

IUPAC6-(3-chloropropoxy)-1-ethyl-2-[4-(2-oxoimidazolidin-1-yl)phenyl]indole-3-carbonitrile;6-(3-chloropropoxy)-1-ethyl-2-[4-(2-oxo-1,3-oxazolidin-3-yl)phenyl]indole-3-carbonitrile;1-[4-[3-cyano-6-ethoxy-1-(2-methylpropyl)indol-2-yl]phenyl]-3-ethylurea;1-[4-[3-cyano-6-ethoxy-1-(2-methylpropyl)indol-2-yl]phenyl]-3-propylurea;N-[4-[3-cyano-1-ethyl-6-(2-pyrrolidin-1-ylethoxy)indol-2-yl]phenyl]cyclopropanecarboxamide;2-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-1-ethyl-6-pyrazin-2-yloxyindole-3-carbonitrile;2-fluoroethyl N-[4-[3-cyano-6-ethoxy-1-(2-methylpropyl)indol-2-yl]phenyl]carbamate;methyl N-[4-(3-cyano-6-ethoxy-1-propylindol-2-yl)phenyl]carbamate;propan-2-yl N-[4-(3-cyano-6-ethoxy-1-propan-2-ylindol-2-yl)phenyl]carbamate;propan-2-yl N-[4-(3-cyano-6-ethoxy-1-propylindol-2-yl)phenyl]carbamate;propyl N-[4-(3-cyano-6-ethoxy-1-propan-2-ylindol-2-yl)phenyl]carbamate;propyl N-[4-(3-cyano-6-ethoxy-1-propylindol-2-yl)phenyl]carbamate
SMILESCCCNC(=O)Nc1ccc(-c2c(C#N)c3ccc(OCC)cc3n2CC(C)C)cc1.CCCOC(=O)Nc1ccc(-c2c(C#N)c3ccc(OCC)cc3n2C(C)C)cc1.CCCOC(=O)Nc1ccc(-c2c(C#N)c3ccc(OCC)cc3n2CCC)cc1.CCCn1c(-c2ccc(NC(=O)OC(C)C)cc2)c(C#N)c2ccc(OCC)cc21.CCCn1c(-c2ccc(NC(=O)OC)cc2)c(C#N)c2ccc(OCC)cc21.CCNC(=O)Nc1ccc(-c2c(C#N)c3ccc(OCC)cc3n2CC(C)C)cc1.CCOc1ccc2c(C#N)c(-c3ccc(NC(=O)OC(C)C)cc3)n(C(C)C)c2c1.CCOc1ccc2c(C#N)c(-c3ccc(NC(=O)OCCF)cc3)n(CC(C)C)c2c1.CCn1c(-c2ccc(N3CCCS3(=O)=O)cc2)c(C#N)c2ccc(Oc3cnccn3)cc21.CCn1c(-c2ccc(N3CCNC3=O)cc2)c(C#N)c2ccc(OCCCCl)cc21.CCn1c(-c2ccc(N3CCOC3=O)cc2)c(C#N)c2ccc(OCCCCl)cc21.CCn1c(-c2ccc(NC(=O)C3CC3)cc2)c(C#N)c2ccc(OCCN3CCCC3)cc21
InChIInChI=1S/C27H30N4O2.C25H30N4O2.C24H26FN3O3.C24H21N5O3S.C24H28N4O2.4C24H27N3O3.C23H23ClN4O2.C23H22ClN3O3.C22H23N3O3/c1-2-31-25-17-22(33-16-15-30-13-3-4-14-30)11-12-23(25)24(18-28)26(31)19-7-9-21(10-8-19)29-27(32)20-5-6-20;1-5-13-27-25(30)28-19-9-7-18(8-10-19)24-22(15-26)21-12-11-20(31-6-2)14-23(21)29(24)16-17(3)4;1-4-30-19-9-10-20-21(14-26)23(28(15-16(2)3)22(20)13-19)17-5-7-18(8-6-17)27-24(29)31-12-11-25;1-2-28-22-14-19(32-23-16-26-10-11-27-23)8-9-20(22)21(15-25)24(28)17-4-6-18(7-5-17)29-12-3-13-33(29,30)31;1-5-26-24(29)27-18-9-7-17(8-10-18)23-21(14-25)20-12-11-19(30-6-2)13-22(20)28(23)15-16(3)4;1-6-29-19-11-12-20-21(14-25)23(27(15(2)3)22(20)13-19)17-7-9-18(10-8-17)26-24(28)30-16(4)5;1-5-13-30-24(28)26-18-9-7-17(8-10-18)23-21(15-25)20-12-11-19(29-6-2)14-22(20)27(23)16(3)4;1-5-13-27-22-14-19(29-6-2)11-12-20(22)21(15-25)23(27)17-7-9-18(10-8-17)26-24(28)30-16(3)4;1-4-13-27-22-15-19(29-6-3)11-12-20(22)21(16-25)23(27)17-7-9-18(10-8-17)26-24(28)30-14-5-2;1-2-27-21-14-18(30-13-3-10-24)8-9-19(21)20(15-25)22(27)16-4-6-17(7-5-16)28-12-11-26-23(28)29;1-2-26-21-14-18(29-12-3-10-24)8-9-19(21)20(15-25)22(26)16-4-6-17(7-5-16)27-11-13-30-23(27)28;1-4-12-25-20-13-17(28-5-2)10-11-18(20)19(14-23)21(25)15-6-8-16(9-7-15)24-22(26)27-3/h7-12,17,20H,2-6,13-16H2,1H3,(H,29,32);7-12,14,17H,5-6,13,16H2,1-4H3,(H2,27,28,30);5-10,13,16H,4,11-12,15H2,1-3H3,(H,27,29);4-11,14,16H,2-3,12-13H2,1H3;7-13,16H,5-6,15H2,1-4H3,(H2,26,27,29);7-13,15-16H,6H2,1-5H3,(H,26,28);2*7-12,14,16H,5-6,13H2,1-4H3,(H,26,28);7-12,15H,4-6,13-14H2,1-3H3,(H,26,28);4-9,14H,2-3,10-13H2,1H3,(H,26,29);4-9,14H,2-3,10-13H2,1H3;6-11,13H,4-5,12H2,1-3H3,(H,24,26)
InChIKeyIOTDCIBIUAENAJ-UHFFFAOYSA-N
MW4994.89 g/mol
LogP65.44
Rot. Bonds84

About 6-(3-chloropropoxy)-1-ethyl-2-[4-(2-oxoimidazolidin-1-yl)phenyl]indole-3-carbonitrile;6-(3-chloropropoxy)-1-ethyl-2-[4-(2-oxo-1,3-oxazolidin-3-yl)phenyl]indole-3-carbonitrile;1-[4-[3-cyano-6-ethoxy-1-(2-methylpropyl)indol-2-yl]phenyl]-3-ethylurea;1-[4-[3-cyano-6-ethoxy-1-(2-methylpropyl)indol-2-yl]phenyl]-3-propylurea;N-[4-[3-cyano-1-ethyl-6-(2-pyrrolidin-1-ylethoxy)indol-2-yl]phenyl]cyclopropanecarboxamide;2-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-1-ethyl-6-pyrazin-2-yloxyindole-3-carbonitrile;2-fluoroethyl N-[4-[3-cyano-6-ethoxy-1-(2-methylpropyl)indol-2-yl]phenyl]carbamate;methyl N-[4-(3-cyano-6-ethoxy-1-propylindol-2-yl)phenyl]carbamate;propan-2-yl N-[4-(3-cyano-6-ethoxy-1-propan-2-ylindol-2-yl)phenyl]carbamate;propan-2-yl N-[4-(3-cyano-6-ethoxy-1-propylindol-2-yl)phenyl]carbamate;propyl N-[4-(3-cyano-6-ethoxy-1-propan-2-ylindol-2-yl)phenyl]carbamate;propyl N-[4-(3-cyano-6-ethoxy-1-propylindol-2-yl)phenyl]carbamate

6-(3-chloropropoxy)-1-ethyl-2-[4-(2-oxoimidazolidin-1-yl)phenyl]indole-3-carbonitrile;6-(3-chloropropoxy)-1-ethyl-2-[4-(2-oxo-1,3-oxazolidin-3-yl)phenyl]indole-3-carbonitrile;1-[4-[3-cyano-6-ethoxy-1-(2-methylpropyl)indol-2-yl]phenyl]-3-ethylurea;1-[4-[3-cyano-6-ethoxy-1-(2-methylpropyl)indol-2-yl]phenyl]-3-propylurea;N-[4-[3-cyano-1-ethyl-6-(2-pyrrolidin-1-ylethoxy)indol-2-yl]phenyl]cyclopropanecarboxamide;2-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-1-ethyl-6-pyrazin-2-yloxyindole-3-carbonitrile;2-fluoroethyl N-[4-[3-cyano-6-ethoxy-1-(2-methylpropyl)indol-2-yl]phenyl]carbamate;methyl N-[4-(3-cyano-6-ethoxy-1-propylindol-2-yl)phenyl]carbamate;propan-2-yl N-[4-(3-cyano-6-ethoxy-1-propan-2-ylindol-2-yl)phenyl]carbamate;propan-2-yl N-[4-(3-cyano-6-ethoxy-1-propylindol-2-yl)phenyl]carbamate;propyl N-[4-(3-cyano-6-ethoxy-1-propan-2-ylindol-2-yl)phenyl]carbamate;propyl N-[4-(3-cyano-6-ethoxy-1-propylindol-2-yl)phenyl]carbamate (PubChem CID 158761656) has the molecular formula C288H311Cl2FN42O32S and a molecular weight of 4994.89 g/mol. Its IUPAC name is 6-(3-chloropropoxy)-1-ethyl-2-[4-(2-oxoimidazolidin-1-yl)phenyl]indole-3-carbonitrile;6-(3-chloropropoxy)-1-ethyl-2-[4-(2-oxo-1,3-oxazolidin-3-yl)phenyl]indole-3-carbonitrile;1-[4-[3-cyano-6-ethoxy-1-(2-methylpropyl)indol-2-yl]phenyl]-3-ethylurea;1-[4-[3-cyano-6-ethoxy-1-(2-methylpropyl)indol-2-yl]phenyl]-3-propylurea;N-[4-[3-cyano-1-ethyl-6-(2-pyrrolidin-1-ylethoxy)indol-2-yl]phenyl]cyclopropanecarboxamide;2-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-1-ethyl-6-pyrazin-2-yloxyindole-3-carbonitrile;2-fluoroethyl N-[4-[3-cyano-6-ethoxy-1-(2-methylpropyl)indol-2-yl]phenyl]carbamate;methyl N-[4-(3-cyano-6-ethoxy-1-propylindol-2-yl)phenyl]carbamate;propan-2-yl N-[4-(3-cyano-6-ethoxy-1-propan-2-ylindol-2-yl)phenyl]carbamate;propan-2-yl N-[4-(3-cyano-6-ethoxy-1-propylindol-2-yl)phenyl]carbamate;propyl N-[4-(3-cyano-6-ethoxy-1-propan-2-ylindol-2-yl)phenyl]carbamate;propyl N-[4-(3-cyano-6-ethoxy-1-propylindol-2-yl)phenyl]carbamate.

Molecular Properties

Compound Name6-(3-chloropropoxy)-1-ethyl-2-[4-(2-oxoimidazolidin-1-yl)phenyl]indole-3-carbonitrile;6-(3-chloropropoxy)-1-ethyl-2-[4-(2-oxo-1,3-oxazolidin-3-yl)phenyl]indole-3-carbonitrile;1-[4-[3-cyano-6-ethoxy-1-(2-methylpropyl)indol-2-yl]phenyl]-3-ethylurea;1-[4-[3-cyano-6-ethoxy-1-(2-methylpropyl)indol-2-yl]phenyl]-3-propylurea;N-[4-[3-cyano-1-ethyl-6-(2-pyrrolidin-1-ylethoxy)indol-2-yl]phenyl]cyclopropanecarboxamide;2-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-1-ethyl-6-pyrazin-2-yloxyindole-3-carbonitrile;2-fluoroethyl N-[4-[3-cyano-6-ethoxy-1-(2-methylpropyl)indol-2-yl]phenyl]carbamate;methyl N-[4-(3-cyano-6-ethoxy-1-propylindol-2-yl)phenyl]carbamate;propan-2-yl N-[4-(3-cyano-6-ethoxy-1-propan-2-ylindol-2-yl)phenyl]carbamate;propan-2-yl N-[4-(3-cyano-6-ethoxy-1-propylindol-2-yl)phenyl]carbamate;propyl N-[4-(3-cyano-6-ethoxy-1-propan-2-ylindol-2-yl)phenyl]carbamate;propyl N-[4-(3-cyano-6-ethoxy-1-propylindol-2-yl)phenyl]carbamate
PubChem CID158761656
Molecular FormulaC288H311Cl2FN42O32S
Molecular Weight4994.89 g/mol
Exact Mass4990.31
IUPAC Name6-(3-chloropropoxy)-1-ethyl-2-[4-(2-oxoimidazolidin-1-yl)phenyl]indole-3-carbonitrile;6-(3-chloropropoxy)-1-ethyl-2-[4-(2-oxo-1,3-oxazolidin-3-yl)phenyl]indole-3-carbonitrile;1-[4-[3-cyano-6-ethoxy-1-(2-methylpropyl)indol-2-yl]phenyl]-3-ethylurea;1-[4-[3-cyano-6-ethoxy-1-(2-methylpropyl)indol-2-yl]phenyl]-3-propylurea;N-[4-[3-cyano-1-ethyl-6-(2-pyrrolidin-1-ylethoxy)indol-2-yl]phenyl]cyclopropanecarboxamide;2-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-1-ethyl-6-pyrazin-2-yloxyindole-3-carbonitrile;2-fluoroethyl N-[4-[3-cyano-6-ethoxy-1-(2-methylpropyl)indol-2-yl]phenyl]carbamate;methyl N-[4-(3-cyano-6-ethoxy-1-propylindol-2-yl)phenyl]carbamate;propan-2-yl N-[4-(3-cyano-6-ethoxy-1-propan-2-ylindol-2-yl)phenyl]carbamate;propan-2-yl N-[4-(3-cyano-6-ethoxy-1-propylindol-2-yl)phenyl]carbamate;propyl N-[4-(3-cyano-6-ethoxy-1-propan-2-ylindol-2-yl)phenyl]carbamate;propyl N-[4-(3-cyano-6-ethoxy-1-propylindol-2-yl)phenyl]carbamate
SMILESCCCNC(=O)Nc1ccc(-c2c(C#N)c3ccc(OCC)cc3n2CC(C)C)cc1.CCCOC(=O)Nc1ccc(-c2c(C#N)c3ccc(OCC)cc3n2C(C)C)cc1.CCCOC(=O)Nc1ccc(-c2c(C#N)c3ccc(OCC)cc3n2CCC)cc1.CCCn1c(-c2ccc(NC(=O)OC(C)C)cc2)c(C#N)c2ccc(OCC)cc21.CCCn1c(-c2ccc(NC(=O)OC)cc2)c(C#N)c2ccc(OCC)cc21.CCNC(=O)Nc1ccc(-c2c(C#N)c3ccc(OCC)cc3n2CC(C)C)cc1.CCOc1ccc2c(C#N)c(-c3ccc(NC(=O)OC(C)C)cc3)n(C(C)C)c2c1.CCOc1ccc2c(C#N)c(-c3ccc(NC(=O)OCCF)cc3)n(CC(C)C)c2c1.CCn1c(-c2ccc(N3CCCS3(=O)=O)cc2)c(C#N)c2ccc(Oc3cnccn3)cc21.CCn1c(-c2ccc(N3CCNC3=O)cc2)c(C#N)c2ccc(OCCCCl)cc21.CCn1c(-c2ccc(N3CCOC3=O)cc2)c(C#N)c2ccc(OCCCCl)cc21.CCn1c(-c2ccc(NC(=O)C3CC3)cc2)c(C#N)c2ccc(OCCN3CCCC3)cc21
InChIInChI=1S/C27H30N4O2.C25H30N4O2.C24H26FN3O3.C24H21N5O3S.C24H28N4O2.4C24H27N3O3.C23H23ClN4O2.C23H22ClN3O3.C22H23N3O3/c1-2-31-25-17-22(33-16-15-30-13-3-4-14-30)11-12-23(25)24(18-28)26(31)19-7-9-21(10-8-19)29-27(32)20-5-6-20;1-5-13-27-25(30)28-19-9-7-18(8-10-19)24-22(15-26)21-12-11-20(31-6-2)14-23(21)29(24)16-17(3)4;1-4-30-19-9-10-20-21(14-26)23(28(15-16(2)3)22(20)13-19)17-5-7-18(8-6-17)27-24(29)31-12-11-25;1-2-28-22-14-19(32-23-16-26-10-11-27-23)8-9-20(22)21(15-25)24(28)17-4-6-18(7-5-17)29-12-3-13-33(29,30)31;1-5-26-24(29)27-18-9-7-17(8-10-18)23-21(14-25)20-12-11-19(30-6-2)13-22(20)28(23)15-16(3)4;1-6-29-19-11-12-20-21(14-25)23(27(15(2)3)22(20)13-19)17-7-9-18(10-8-17)26-24(28)30-16(4)5;1-5-13-30-24(28)26-18-9-7-17(8-10-18)23-21(15-25)20-12-11-19(29-6-2)14-22(20)27(23)16(3)4;1-5-13-27-22-14-19(29-6-2)11-12-20(22)21(15-25)23(27)17-7-9-18(10-8-17)26-24(28)30-16(3)4;1-4-13-27-22-15-19(29-6-3)11-12-20(22)21(16-25)23(27)17-7-9-18(10-8-17)26-24(28)30-14-5-2;1-2-27-21-14-18(30-13-3-10-24)8-9-19(21)20(15-25)22(27)16-4-6-17(7-5-16)28-12-11-26-23(28)29;1-2-26-21-14-18(29-12-3-10-24)8-9-19(21)20(15-25)22(26)16-4-6-17(7-5-16)27-11-13-30-23(27)28;1-4-12-25-20-13-17(28-5-2)10-11-18(20)19(14-23)21(25)15-6-8-16(9-7-15)24-22(26)27-3/h7-12,17,20H,2-6,13-16H2,1H3,(H,29,32);7-12,14,17H,5-6,13,16H2,1-4H3,(H2,27,28,30);5-10,13,16H,4,11-12,15H2,1-3H3,(H,27,29);4-11,14,16H,2-3,12-13H2,1H3;7-13,16H,5-6,15H2,1-4H3,(H2,26,27,29);7-13,15-16H,6H2,1-5H3,(H,26,28);2*7-12,14,16H,5-6,13H2,1-4H3,(H,26,28);7-12,15H,4-6,13-14H2,1-3H3,(H,26,28);4-9,14H,2-3,10-13H2,1H3,(H,26,29);4-9,14H,2-3,10-13H2,1H3;6-11,13H,4-5,12H2,1-3H3,(H,24,26)
InChIKeyIOTDCIBIUAENAJ-UHFFFAOYSA-N
XLogP65.44
TPSA925.02 Ų
H-Bond Donors12
H-Bond Acceptors59
Rotatable Bonds84
Heavy Atoms366
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5004994.89
LogP ≤ 565.44
H-Bond Donors ≤ 512
H-Bond Acceptors ≤ 1059

Analyze 6-(3-chloropropoxy)-1-ethyl-2-[4-(2-oxoimidazolidin-1-yl)phenyl]indole-3-carbonitrile;6-(3-chloropropoxy)-1-ethyl-2-[4-(2-oxo-1,3-oxazolidin-3-yl)phenyl]indole-3-carbonitrile;1-[4-[3-cyano-6-ethoxy-1-(2-methylpropyl)indol-2-yl]phenyl]-3-ethylurea;1-[4-[3-cyano-6-ethoxy-1-(2-methylpropyl)indol-2-yl]phenyl]-3-propylurea;N-[4-[3-cyano-1-ethyl-6-(2-pyrrolidin-1-ylethoxy)indol-2-yl]phenyl]cyclopropanecarboxamide;2-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-1-ethyl-6-pyrazin-2-yloxyindole-3-carbonitrile;2-fluoroethyl N-[4-[3-cyano-6-ethoxy-1-(2-methylpropyl)indol-2-yl]phenyl]carbamate;methyl N-[4-(3-cyano-6-ethoxy-1-propylindol-2-yl)phenyl]carbamate;propan-2-yl N-[4-(3-cyano-6-ethoxy-1-propan-2-ylindol-2-yl)phenyl]carbamate;propan-2-yl N-[4-(3-cyano-6-ethoxy-1-propylindol-2-yl)phenyl]carbamate;propyl N-[4-(3-cyano-6-ethoxy-1-propan-2-ylindol-2-yl)phenyl]carbamate;propyl N-[4-(3-cyano-6-ethoxy-1-propylindol-2-yl)phenyl]carbamate with MolForge

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Frequently Asked Questions

What is the IUPAC name of 6-(3-chloropropoxy)-1-ethyl-2-[4-(2-oxoimidazolidin-1-yl)phenyl]indole-3-carbonitrile;6-(3-chloropropoxy)-1-ethyl-2-[4-(2-oxo-1,3-oxazolidin-3-yl)phenyl]indole-3-carbonitrile;1-[4-[3-cyano-6-ethoxy-1-(2-methylpropyl)indol-2-yl]phenyl]-3-ethylurea;1-[4-[3-cyano-6-ethoxy-1-(2-methylpropyl)indol-2-yl]phenyl]-3-propylurea;N-[4-[3-cyano-1-ethyl-6-(2-pyrrolidin-1-ylethoxy)indol-2-yl]phenyl]cyclopropanecarboxamide;2-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-1-ethyl-6-pyrazin-2-yloxyindole-3-carbonitrile;2-fluoroethyl N-[4-[3-cyano-6-ethoxy-1-(2-methylpropyl)indol-2-yl]phenyl]carbamate;methyl N-[4-(3-cyano-6-ethoxy-1-propylindol-2-yl)phenyl]carbamate;propan-2-yl N-[4-(3-cyano-6-ethoxy-1-propan-2-ylindol-2-yl)phenyl]carbamate;propan-2-yl N-[4-(3-cyano-6-ethoxy-1-propylindol-2-yl)phenyl]carbamate;propyl N-[4-(3-cyano-6-ethoxy-1-propan-2-ylindol-2-yl)phenyl]carbamate;propyl N-[4-(3-cyano-6-ethoxy-1-propylindol-2-yl)phenyl]carbamate?
The IUPAC name of 6-(3-chloropropoxy)-1-ethyl-2-[4-(2-oxoimidazolidin-1-yl)phenyl]indole-3-carbonitrile;6-(3-chloropropoxy)-1-ethyl-2-[4-(2-oxo-1,3-oxazolidin-3-yl)phenyl]indole-3-carbonitrile;1-[4-[3-cyano-6-ethoxy-1-(2-methylpropyl)indol-2-yl]phenyl]-3-ethylurea;1-[4-[3-cyano-6-ethoxy-1-(2-methylpropyl)indol-2-yl]phenyl]-3-propylurea;N-[4-[3-cyano-1-ethyl-6-(2-pyrrolidin-1-ylethoxy)indol-2-yl]phenyl]cyclopropanecarboxamide;2-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-1-ethyl-6-pyrazin-2-yloxyindole-3-carbonitrile;2-fluoroethyl N-[4-[3-cyano-6-ethoxy-1-(2-methylpropyl)indol-2-yl]phenyl]carbamate;methyl N-[4-(3-cyano-6-ethoxy-1-propylindol-2-yl)phenyl]carbamate;propan-2-yl N-[4-(3-cyano-6-ethoxy-1-propan-2-ylindol-2-yl)phenyl]carbamate;propan-2-yl N-[4-(3-cyano-6-ethoxy-1-propylindol-2-yl)phenyl]carbamate;propyl N-[4-(3-cyano-6-ethoxy-1-propan-2-ylindol-2-yl)phenyl]carbamate;propyl N-[4-(3-cyano-6-ethoxy-1-propylindol-2-yl)phenyl]carbamate (CID 158761656) is 6-(3-chloropropoxy)-1-ethyl-2-[4-(2-oxoimidazolidin-1-yl)phenyl]indole-3-carbonitrile;6-(3-chloropropoxy)-1-ethyl-2-[4-(2-oxo-1,3-oxazolidin-3-yl)phenyl]indole-3-carbonitrile;1-[4-[3-cyano-6-ethoxy-1-(2-methylpropyl)indol-2-yl]phenyl]-3-ethylurea;1-[4-[3-cyano-6-ethoxy-1-(2-methylpropyl)indol-2-yl]phenyl]-3-propylurea;N-[4-[3-cyano-1-ethyl-6-(2-pyrrolidin-1-ylethoxy)indol-2-yl]phenyl]cyclopropanecarboxamide;2-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-1-ethyl-6-pyrazin-2-yloxyindole-3-carbonitrile;2-fluoroethyl N-[4-[3-cyano-6-ethoxy-1-(2-methylpropyl)indol-2-yl]phenyl]carbamate;methyl N-[4-(3-cyano-6-ethoxy-1-propylindol-2-yl)phenyl]carbamate;propan-2-yl N-[4-(3-cyano-6-ethoxy-1-propan-2-ylindol-2-yl)phenyl]carbamate;propan-2-yl N-[4-(3-cyano-6-ethoxy-1-propylindol-2-yl)phenyl]carbamate;propyl N-[4-(3-cyano-6-ethoxy-1-propan-2-ylindol-2-yl)phenyl]carbamate;propyl N-[4-(3-cyano-6-ethoxy-1-propylindol-2-yl)phenyl]carbamate.
What is the SMILES notation for 6-(3-chloropropoxy)-1-ethyl-2-[4-(2-oxoimidazolidin-1-yl)phenyl]indole-3-carbonitrile;6-(3-chloropropoxy)-1-ethyl-2-[4-(2-oxo-1,3-oxazolidin-3-yl)phenyl]indole-3-carbonitrile;1-[4-[3-cyano-6-ethoxy-1-(2-methylpropyl)indol-2-yl]phenyl]-3-ethylurea;1-[4-[3-cyano-6-ethoxy-1-(2-methylpropyl)indol-2-yl]phenyl]-3-propylurea;N-[4-[3-cyano-1-ethyl-6-(2-pyrrolidin-1-ylethoxy)indol-2-yl]phenyl]cyclopropanecarboxamide;2-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-1-ethyl-6-pyrazin-2-yloxyindole-3-carbonitrile;2-fluoroethyl N-[4-[3-cyano-6-ethoxy-1-(2-methylpropyl)indol-2-yl]phenyl]carbamate;methyl N-[4-(3-cyano-6-ethoxy-1-propylindol-2-yl)phenyl]carbamate;propan-2-yl N-[4-(3-cyano-6-ethoxy-1-propan-2-ylindol-2-yl)phenyl]carbamate;propan-2-yl N-[4-(3-cyano-6-ethoxy-1-propylindol-2-yl)phenyl]carbamate;propyl N-[4-(3-cyano-6-ethoxy-1-propan-2-ylindol-2-yl)phenyl]carbamate;propyl N-[4-(3-cyano-6-ethoxy-1-propylindol-2-yl)phenyl]carbamate?
The canonical SMILES for 6-(3-chloropropoxy)-1-ethyl-2-[4-(2-oxoimidazolidin-1-yl)phenyl]indole-3-carbonitrile;6-(3-chloropropoxy)-1-ethyl-2-[4-(2-oxo-1,3-oxazolidin-3-yl)phenyl]indole-3-carbonitrile;1-[4-[3-cyano-6-ethoxy-1-(2-methylpropyl)indol-2-yl]phenyl]-3-ethylurea;1-[4-[3-cyano-6-ethoxy-1-(2-methylpropyl)indol-2-yl]phenyl]-3-propylurea;N-[4-[3-cyano-1-ethyl-6-(2-pyrrolidin-1-ylethoxy)indol-2-yl]phenyl]cyclopropanecarboxamide;2-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-1-ethyl-6-pyrazin-2-yloxyindole-3-carbonitrile;2-fluoroethyl N-[4-[3-cyano-6-ethoxy-1-(2-methylpropyl)indol-2-yl]phenyl]carbamate;methyl N-[4-(3-cyano-6-ethoxy-1-propylindol-2-yl)phenyl]carbamate;propan-2-yl N-[4-(3-cyano-6-ethoxy-1-propan-2-ylindol-2-yl)phenyl]carbamate;propan-2-yl N-[4-(3-cyano-6-ethoxy-1-propylindol-2-yl)phenyl]carbamate;propyl N-[4-(3-cyano-6-ethoxy-1-propan-2-ylindol-2-yl)phenyl]carbamate;propyl N-[4-(3-cyano-6-ethoxy-1-propylindol-2-yl)phenyl]carbamate is CCCNC(=O)Nc1ccc(-c2c(C#N)c3ccc(OCC)cc3n2CC(C)C)cc1.CCCOC(=O)Nc1ccc(-c2c(C#N)c3ccc(OCC)cc3n2C(C)C)cc1.CCCOC(=O)Nc1ccc(-c2c(C#N)c3ccc(OCC)cc3n2CCC)cc1.CCCn1c(-c2ccc(NC(=O)OC(C)C)cc2)c(C#N)c2ccc(OCC)cc21.CCCn1c(-c2ccc(NC(=O)OC)cc2)c(C#N)c2ccc(OCC)cc21.CCNC(=O)Nc1ccc(-c2c(C#N)c3ccc(OCC)cc3n2CC(C)C)cc1.CCOc1ccc2c(C#N)c(-c3ccc(NC(=O)OC(C)C)cc3)n(C(C)C)c2c1.CCOc1ccc2c(C#N)c(-c3ccc(NC(=O)OCCF)cc3)n(CC(C)C)c2c1.CCn1c(-c2ccc(N3CCCS3(=O)=O)cc2)c(C#N)c2ccc(Oc3cnccn3)cc21.CCn1c(-c2ccc(N3CCNC3=O)cc2)c(C#N)c2ccc(OCCCCl)cc21.CCn1c(-c2ccc(N3CCOC3=O)cc2)c(C#N)c2ccc(OCCCCl)cc21.CCn1c(-c2ccc(NC(=O)C3CC3)cc2)c(C#N)c2ccc(OCCN3CCCC3)cc21.
What is the InChIKey of 6-(3-chloropropoxy)-1-ethyl-2-[4-(2-oxoimidazolidin-1-yl)phenyl]indole-3-carbonitrile;6-(3-chloropropoxy)-1-ethyl-2-[4-(2-oxo-1,3-oxazolidin-3-yl)phenyl]indole-3-carbonitrile;1-[4-[3-cyano-6-ethoxy-1-(2-methylpropyl)indol-2-yl]phenyl]-3-ethylurea;1-[4-[3-cyano-6-ethoxy-1-(2-methylpropyl)indol-2-yl]phenyl]-3-propylurea;N-[4-[3-cyano-1-ethyl-6-(2-pyrrolidin-1-ylethoxy)indol-2-yl]phenyl]cyclopropanecarboxamide;2-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-1-ethyl-6-pyrazin-2-yloxyindole-3-carbonitrile;2-fluoroethyl N-[4-[3-cyano-6-ethoxy-1-(2-methylpropyl)indol-2-yl]phenyl]carbamate;methyl N-[4-(3-cyano-6-ethoxy-1-propylindol-2-yl)phenyl]carbamate;propan-2-yl N-[4-(3-cyano-6-ethoxy-1-propan-2-ylindol-2-yl)phenyl]carbamate;propan-2-yl N-[4-(3-cyano-6-ethoxy-1-propylindol-2-yl)phenyl]carbamate;propyl N-[4-(3-cyano-6-ethoxy-1-propan-2-ylindol-2-yl)phenyl]carbamate;propyl N-[4-(3-cyano-6-ethoxy-1-propylindol-2-yl)phenyl]carbamate?
The InChIKey is IOTDCIBIUAENAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H30N4O2.C25H30N4O2.C24H26FN3O3.C24H21N5O3S.C24H28N4O2.4C24H27N3O3.C23H23ClN4O2.C23H22ClN3O3.C22H23N3O3/c1-2-31-25-17-22(33-16-15-30-13-3-4-14-30)11-12-23(25)24(18-28)26(31)19-7-9-21(10-8-19)29-27(32)20-5-6-20;1-5-13-27-25(30)28-19-9-7-18(8-10-19)24-22(15-26)21-12-11-20(31-6-2)14-23(21)29(24)16-17(3)4;1-4-30-19-9-10-20-21(14-26)23(28(15-16(2)3)22(20)13-19)17-5-7-18(8-6-17)27-24(29)31-12-11-25;1-2-28-22-14-19(32-23-16-26-10-11-27-23)8-9-20(22)21(15-25)24(28)17-4-6-18(7-5-17)29-12-3-13-33(29,30)31;1-5-26-24(29)27-18-9-7-17(8-10-18)23-21(14-25)20-12-11-19(30-6-2)13-22(20)28(23)15-16(3)4;1-6-29-19-11-12-20-21(14-25)23(27(15(2)3)22(20)13-19)17-7-9-18(10-8-17)26-24(28)30-16(4)5;1-5-13-30-24(28)26-18-9-7-17(8-10-18)23-21(15-25)20-12-11-19(29-6-2)14-22(20)27(23)16(3)4;1-5-13-27-22-14-19(29-6-2)11-12-20(22)21(15-25)23(27)17-7-9-18(10-8-17)26-24(28)30-16(3)4;1-4-13-27-22-15-19(29-6-3)11-12-20(22)21(16-25)23(27)17-7-9-18(10-8-17)26-24(28)30-14-5-2;1-2-27-21-14-18(30-13-3-10-24)8-9-19(21)20(15-25)22(27)16-4-6-17(7-5-16)28-12-11-26-23(28)29;1-2-26-21-14-18(29-12-3-10-24)8-9-19(21)20(15-25)22(26)16-4-6-17(7-5-16)27-11-13-30-23(27)28;1-4-12-25-20-13-17(28-5-2)10-11-18(20)19(14-23)21(25)15-6-8-16(9-7-15)24-22(26)27-3/h7-12,17,20H,2-6,13-16H2,1H3,(H,29,32);7-12,14,17H,5-6,13,16H2,1-4H3,(H2,27,28,30);5-10,13,16H,4,11-12,15H2,1-3H3,(H,27,29);4-11,14,16H,2-3,12-13H2,1H3;7-13,16H,5-6,15H2,1-4H3,(H2,26,27,29);7-13,15-16H,6H2,1-5H3,(H,26,28);2*7-12,14,16H,5-6,13H2,1-4H3,(H,26,28);7-12,15H,4-6,13-14H2,1-3H3,(H,26,28);4-9,14H,2-3,10-13H2,1H3,(H,26,29);4-9,14H,2-3,10-13H2,1H3;6-11,13H,4-5,12H2,1-3H3,(H,24,26).
What are the key properties of 6-(3-chloropropoxy)-1-ethyl-2-[4-(2-oxoimidazolidin-1-yl)phenyl]indole-3-carbonitrile;6-(3-chloropropoxy)-1-ethyl-2-[4-(2-oxo-1,3-oxazolidin-3-yl)phenyl]indole-3-carbonitrile;1-[4-[3-cyano-6-ethoxy-1-(2-methylpropyl)indol-2-yl]phenyl]-3-ethylurea;1-[4-[3-cyano-6-ethoxy-1-(2-methylpropyl)indol-2-yl]phenyl]-3-propylurea;N-[4-[3-cyano-1-ethyl-6-(2-pyrrolidin-1-ylethoxy)indol-2-yl]phenyl]cyclopropanecarboxamide;2-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-1-ethyl-6-pyrazin-2-yloxyindole-3-carbonitrile;2-fluoroethyl N-[4-[3-cyano-6-ethoxy-1-(2-methylpropyl)indol-2-yl]phenyl]carbamate;methyl N-[4-(3-cyano-6-ethoxy-1-propylindol-2-yl)phenyl]carbamate;propan-2-yl N-[4-(3-cyano-6-ethoxy-1-propan-2-ylindol-2-yl)phenyl]carbamate;propan-2-yl N-[4-(3-cyano-6-ethoxy-1-propylindol-2-yl)phenyl]carbamate;propyl N-[4-(3-cyano-6-ethoxy-1-propan-2-ylindol-2-yl)phenyl]carbamate;propyl N-[4-(3-cyano-6-ethoxy-1-propylindol-2-yl)phenyl]carbamate?
6-(3-chloropropoxy)-1-ethyl-2-[4-(2-oxoimidazolidin-1-yl)phenyl]indole-3-carbonitrile;6-(3-chloropropoxy)-1-ethyl-2-[4-(2-oxo-1,3-oxazolidin-3-yl)phenyl]indole-3-carbonitrile;1-[4-[3-cyano-6-ethoxy-1-(2-methylpropyl)indol-2-yl]phenyl]-3-ethylurea;1-[4-[3-cyano-6-ethoxy-1-(2-methylpropyl)indol-2-yl]phenyl]-3-propylurea;N-[4-[3-cyano-1-ethyl-6-(2-pyrrolidin-1-ylethoxy)indol-2-yl]phenyl]cyclopropanecarboxamide;2-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-1-ethyl-6-pyrazin-2-yloxyindole-3-carbonitrile;2-fluoroethyl N-[4-[3-cyano-6-ethoxy-1-(2-methylpropyl)indol-2-yl]phenyl]carbamate;methyl N-[4-(3-cyano-6-ethoxy-1-propylindol-2-yl)phenyl]carbamate;propan-2-yl N-[4-(3-cyano-6-ethoxy-1-propan-2-ylindol-2-yl)phenyl]carbamate;propan-2-yl N-[4-(3-cyano-6-ethoxy-1-propylindol-2-yl)phenyl]carbamate;propyl N-[4-(3-cyano-6-ethoxy-1-propan-2-ylindol-2-yl)phenyl]carbamate;propyl N-[4-(3-cyano-6-ethoxy-1-propylindol-2-yl)phenyl]carbamate has a molecular weight of 4994.89 g/mol, XLogP of 65.44, 84 rotatable bonds, 12 hydrogen bond donors, and 59 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-chloropropoxy)-1-ethyl-2-[4-(2-oxoimidazolidin-1-yl)phenyl]indole-3-carbonitrile;6-(3-chloropropoxy)-1-ethyl-2-[4-(2-oxo-1,3-oxazolidin-3-yl)phenyl]indole-3-carbonitrile;1-[4-[3-cyano-6-ethoxy-1-(2-methylpropyl)indol-2-yl]phenyl]-3-ethylurea;1-[4-[3-cyano-6-ethoxy-1-(2-methylpropyl)indol-2-yl]phenyl]-3-propylurea;N-[4-[3-cyano-1-ethyl-6-(2-pyrrolidin-1-ylethoxy)indol-2-yl]phenyl]cyclopropanecarboxamide;2-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-1-ethyl-6-pyrazin-2-yloxyindole-3-carbonitrile;2-fluoroethyl N-[4-[3-cyano-6-ethoxy-1-(2-methylpropyl)indol-2-yl]phenyl]carbamate;methyl N-[4-(3-cyano-6-ethoxy-1-propylindol-2-yl)phenyl]carbamate;propan-2-yl N-[4-(3-cyano-6-ethoxy-1-propan-2-ylindol-2-yl)phenyl]carbamate;propan-2-yl N-[4-(3-cyano-6-ethoxy-1-propylindol-2-yl)phenyl]carbamate;propyl N-[4-(3-cyano-6-ethoxy-1-propan-2-ylindol-2-yl)phenyl]carbamate;propyl N-[4-(3-cyano-6-ethoxy-1-propylindol-2-yl)phenyl]carbamate is sourced from PubChem (CID 158761656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).