6-(3-chloropropoxy)-1-ethyl-2-[4-(2-oxo-1,3-oxazolidin-3-yl)phenyl]indole-3-carbonitrile;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;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

C146H154ClN21O17S — CID 158129460

About 6-(3-chloropropoxy)-1-ethyl-2-[4-(2-oxo-1,3-oxazolidin-3-yl)phenyl]indole-3-carbonitrile;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;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-oxo-1,3-oxazolidin-3-yl)phenyl]indole-3-carbonitrile;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;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 158129460) has the molecular formula C146H154ClN21O17S and a molecular weight of 2542.49 g/mol. Its IUPAC name is 6-(3-chloropropoxy)-1-ethyl-2-[4-(2-oxo-1,3-oxazolidin-3-yl)phenyl]indole-3-carbonitrile;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;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 Name: 6-(3-chloropropoxy)-1-ethyl-2-[4-(2-oxo-1,3-oxazolidin-3-yl)phenyl]indole-3-carbonitrile;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;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: 158129460
• Molecular Formula: C146H154ClN21O17S
• Molecular Weight: 2542.49 g/mol
• Exact Mass: 2540.12
• IUPAC Name: 6-(3-chloropropoxy)-1-ethyl-2-[4-(2-oxo-1,3-oxazolidin-3-yl)phenyl]indole-3-carbonitrile;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;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
• SMILES: 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.CCn1c(-c2ccc(N3CCCS3(=O)=O)cc2)c(C#N)c2ccc(Oc3cnccn3)cc21.CCn1c(-c2ccc(N3CCOC3=O)cc2)c(C#N)c2ccc(OCCCCl)cc21.CCn1c(-c2ccc(NC(=O)C3CC3)cc2)c(C#N)c2ccc(OCCN3CCCC3)cc21
• InChI: InChI=1S/C27H30N4O2.C24H21N5O3S.3C24H27N3O3.C23H22ClN3O3/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;1-2-28-22-14-19(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;1-5-13-30-24(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;1-2-26-21-14-18(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/h7-12,17,20H,2-6,13-16H2,1H3,(H,29,32);4-11,14,16H,2-3,12-13H2,1H3;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
• InChIKey: FSOZKOYPJQGLGR-UHFFFAOYSA-N
• XLogP: 32.52
• TPSA: 467.73 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 32
• Rotatable Bonds: 42
• Heavy Atoms: 186
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2542.49
LogP ≤ 5	32.52
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	32

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 6-(3-chloropropoxy)-1-ethyl-2-[4-(2-oxo-1,3-oxazolidin-3-yl)phenyl]indole-3-carbonitrile;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;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-oxo-1,3-oxazolidin-3-yl)phenyl]indole-3-carbonitrile;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;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 158129460) is 6-(3-chloropropoxy)-1-ethyl-2-[4-(2-oxo-1,3-oxazolidin-3-yl)phenyl]indole-3-carbonitrile;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;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-oxo-1,3-oxazolidin-3-yl)phenyl]indole-3-carbonitrile;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;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-oxo-1,3-oxazolidin-3-yl)phenyl]indole-3-carbonitrile;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;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 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.CCn1c(-c2ccc(N3CCCS3(=O)=O)cc2)c(C#N)c2ccc(Oc3cnccn3)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-oxo-1,3-oxazolidin-3-yl)phenyl]indole-3-carbonitrile;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;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 FSOZKOYPJQGLGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H30N4O2.C24H21N5O3S.3C24H27N3O3.C23H22ClN3O3/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;1-2-28-22-14-19(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;1-5-13-30-24(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;1-2-26-21-14-18(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/h7-12,17,20H,2-6,13-16H2,1H3,(H,29,32);4-11,14,16H,2-3,12-13H2,1H3;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.

What are the key properties of 6-(3-chloropropoxy)-1-ethyl-2-[4-(2-oxo-1,3-oxazolidin-3-yl)phenyl]indole-3-carbonitrile;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;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-oxo-1,3-oxazolidin-3-yl)phenyl]indole-3-carbonitrile;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;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 2542.49 g/mol, XLogP of 32.52, 42 rotatable bonds, 4 hydrogen bond donors, and 32 hydrogen bond acceptors.

Where does this data come from?

All data for 6-(3-chloropropoxy)-1-ethyl-2-[4-(2-oxo-1,3-oxazolidin-3-yl)phenyl]indole-3-carbonitrile;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;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 158129460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).