tris([4-[2-(6-chloro-5H-imidazo[5,1-a]isoindol-5-yl)ethyl]-4-fluorocyclohexyl]-piperidin-1-ylmethanone);tris(2-[4-fluoro-4-[2-(6-fluoro-5H-imidazo[5,1-a]isoindol-5-yl)ethyl]cyclohexyl]acetamide)

C132H156Cl3F9N18O6 — CID 158058221

IUPACtris([4-[2-(6-chloro-5H-imidazo[5,1-a]isoindol-5-yl)ethyl]-4-fluorocyclohexyl]-piperidin-1-ylmethanone);tris(2-[4-fluoro-4-[2-(6-fluoro-5H-imidazo[5,1-a]isoindol-5-yl)ethyl]cyclohexyl]acetamide)
SMILESNC(=O)CC1CCC(F)(CCC2c3c(F)cccc3-c3cncn32)CC1.NC(=O)CC1CCC(F)(CCC2c3c(F)cccc3-c3cncn32)CC1.NC(=O)CC1CCC(F)(CCC2c3c(F)cccc3-c3cncn32)CC1.O=C(C1CCC(F)(CCC2c3c(Cl)cccc3-c3cncn32)CC1)N1CCCCC1.O=C(C1CCC(F)(CCC2c3c(Cl)cccc3-c3cncn32)CC1)N1CCCCC1.O=C(C1CCC(F)(CCC2c3c(Cl)cccc3-c3cncn32)CC1)N1CCCCC1
InChIInChI=1S/3C24H29ClFN3O.3C20H23F2N3O/c3*25-19-6-4-5-18-21-15-27-16-29(21)20(22(18)19)9-12-24(26)10-7-17(8-11-24)23(30)28-13-2-1-3-14-28;3*21-15-3-1-2-14-17-11-24-12-25(17)16(19(14)15)6-9-20(22)7-4-13(5-8-20)10-18(23)26/h3*4-6,15-17,20H,1-3,7-14H2;3*1-3,11-13,16H,4-10H2,(H2,23,26)
InChIKeyFKIGLFIOYVIHIS-UHFFFAOYSA-N
MW2368.16 g/mol
LogP29.83
Rot. Bonds27

About tris([4-[2-(6-chloro-5H-imidazo[5,1-a]isoindol-5-yl)ethyl]-4-fluorocyclohexyl]-piperidin-1-ylmethanone);tris(2-[4-fluoro-4-[2-(6-fluoro-5H-imidazo[5,1-a]isoindol-5-yl)ethyl]cyclohexyl]acetamide)

tris([4-[2-(6-chloro-5H-imidazo[5,1-a]isoindol-5-yl)ethyl]-4-fluorocyclohexyl]-piperidin-1-ylmethanone);tris(2-[4-fluoro-4-[2-(6-fluoro-5H-imidazo[5,1-a]isoindol-5-yl)ethyl]cyclohexyl]acetamide) (PubChem CID 158058221) has the molecular formula C132H156Cl3F9N18O6 and a molecular weight of 2368.16 g/mol. Its IUPAC name is tris([4-[2-(6-chloro-5H-imidazo[5,1-a]isoindol-5-yl)ethyl]-4-fluorocyclohexyl]-piperidin-1-ylmethanone);tris(2-[4-fluoro-4-[2-(6-fluoro-5H-imidazo[5,1-a]isoindol-5-yl)ethyl]cyclohexyl]acetamide).

Molecular Properties

Compound Nametris([4-[2-(6-chloro-5H-imidazo[5,1-a]isoindol-5-yl)ethyl]-4-fluorocyclohexyl]-piperidin-1-ylmethanone);tris(2-[4-fluoro-4-[2-(6-fluoro-5H-imidazo[5,1-a]isoindol-5-yl)ethyl]cyclohexyl]acetamide)
PubChem CID158058221
Molecular FormulaC132H156Cl3F9N18O6
Molecular Weight2368.16 g/mol
Exact Mass2365.14
IUPAC Nametris([4-[2-(6-chloro-5H-imidazo[5,1-a]isoindol-5-yl)ethyl]-4-fluorocyclohexyl]-piperidin-1-ylmethanone);tris(2-[4-fluoro-4-[2-(6-fluoro-5H-imidazo[5,1-a]isoindol-5-yl)ethyl]cyclohexyl]acetamide)
SMILESNC(=O)CC1CCC(F)(CCC2c3c(F)cccc3-c3cncn32)CC1.NC(=O)CC1CCC(F)(CCC2c3c(F)cccc3-c3cncn32)CC1.NC(=O)CC1CCC(F)(CCC2c3c(F)cccc3-c3cncn32)CC1.O=C(C1CCC(F)(CCC2c3c(Cl)cccc3-c3cncn32)CC1)N1CCCCC1.O=C(C1CCC(F)(CCC2c3c(Cl)cccc3-c3cncn32)CC1)N1CCCCC1.O=C(C1CCC(F)(CCC2c3c(Cl)cccc3-c3cncn32)CC1)N1CCCCC1
InChIInChI=1S/3C24H29ClFN3O.3C20H23F2N3O/c3*25-19-6-4-5-18-21-15-27-16-29(21)20(22(18)19)9-12-24(26)10-7-17(8-11-24)23(30)28-13-2-1-3-14-28;3*21-15-3-1-2-14-17-11-24-12-25(17)16(19(14)15)6-9-20(22)7-4-13(5-8-20)10-18(23)26/h3*4-6,15-17,20H,1-3,7-14H2;3*1-3,11-13,16H,4-10H2,(H2,23,26)
InChIKeyFKIGLFIOYVIHIS-UHFFFAOYSA-N
XLogP29.83
TPSA297.12 Ų
H-Bond Donors3
H-Bond Acceptors18
Rotatable Bonds27
Heavy Atoms168
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002368.16
LogP ≤ 529.83
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1018

Analyze tris([4-[2-(6-chloro-5H-imidazo[5,1-a]isoindol-5-yl)ethyl]-4-fluorocyclohexyl]-piperidin-1-ylmethanone);tris(2-[4-fluoro-4-[2-(6-fluoro-5H-imidazo[5,1-a]isoindol-5-yl)ethyl]cyclohexyl]acetamide) with MolForge

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Related Compounds

bis(6-chloro-5-[2-(6-fluorospiro[2.5]octan-6-yl)ethyl]-5H-imidazo[5,1-a]isoindole);tris(4-[2-(6-chloro-5H-imidazo[5,1-a]isoindol-5-yl)ethyl]-4-fluorocyclohexane-1-carboxamide);2-(4,6,9-triazatricyclo[6.4.0.02,6]dodeca-1(8),2,4,9,11-pentaen-7-yl)-1-(1,4,4-trifluorocyclohexyl)ethanol
CID 157296258
tris(1-[4-(6-fluoro-5H-imidazo[5,1-a]isoindol-5-yl)piperidin-1-yl]ethanone);6-fluoro-5-piperidin-4-yl-5H-imidazo[5,1-a]isoindole;bis(2,2,2-trifluoroacetic acid)
CID 159015490
6-chloro-5-[2-(1,4,4-trifluorocyclohexyl)ethyl]-5H-imidazo[5,1-a]isoindole;bis(7-[2-(1-fluorocyclohexyl)ethyl]-10-(trifluoromethyl)-4,6,9-triazatricyclo[6.4.0.02,6]dodeca-1(8),2,4,9,11-pentaene);tris(4-fluoro-4-[2-(5H-imidazo[5,1-a]isoindol-5-yl)ethyl]cyclohexane-1-carboxamide)
CID 159908977
bis(4-(6-fluoro-5H-imidazo[5,1-a]isoindol-5-yl)-N-phenylpiperidine-1-carboxamide);1-[4-(6-fluoro-5H-imidazo[5,1-a]isoindol-5-yl)piperidin-1-yl]-2-phenylethanone;6-fluoro-5-piperidin-4-yl-5H-imidazo[5,1-a]isoindole;bis(2,2,2-trifluoroacetic acid)
CID 160312878
bis(N-(4-cyanophenyl)-4-(6-fluoro-5H-imidazo[5,1-a]isoindol-5-yl)piperidine-1-carboxamide);4-[2-[4-(6-fluoro-5H-imidazo[5,1-a]isoindol-5-yl)piperidin-1-yl]-2-oxoethyl]benzonitrile;6-fluoro-5-piperidin-4-yl-5H-imidazo[5,1-a]isoindole;bis(2,2,2-trifluoroacetic acid)
CID 161938147
2-[4-fluoro-4-[2-(5H-imidazo[5,1-a]isoindol-5-yl)ethyl]cyclohexyl]acetamide
CID 118917025
2-[4-[2-(6-chloro-5H-imidazo[5,1-a]isoindol-5-yl)ethyl]-4-fluorocyclohexyl]acetamide;[4-[2-(6-chloro-5H-imidazo[5,1-a]isoindol-5-yl)ethyl]-4-fluorocyclohexyl]-piperidin-1-ylmethanone;tetrakis(4-[2-(6-chloro-5H-imidazo[5,1-a]isoindol-5-yl)ethyl]-4-fluoro-N,N-dimethylcyclohexane-1-carboxamide)
CID 157278619
4-[2-(6-chloro-5H-imidazo[5,1-a]isoindol-5-yl)ethyl]-4-fluorocyclohexane-1-carboxamide;bis(12-fluoro-7-[2-(1-fluorocyclohexyl)ethyl]-4,6,9-triazatricyclo[6.4.0.02,6]dodeca-1(12),2,4,8,10-pentaene);4-fluoro-4-[2-(12-fluoro-4,6,9-triazatricyclo[6.4.0.02,6]dodeca-1(12),2,4,8,10-pentaen-7-yl)ethyl]cyclohexan-1-ol;bis([4-fluoro-4-[2-(4,6,9-triazatricyclo[6.4.0.02,6]dodeca-1(8),2,4,9,11-pentaen-7-yl)ethyl]cyclohexyl]-piperidin-1-ylmethanone)
CID 157878089
lithium;4-[2-(6-chloro-5H-imidazo[5,1-a]isoindol-5-yl)ethyl]-4-fluorocyclohexane-1-carboxamide;4-[2-(6-chloro-5H-imidazo[5,1-a]isoindol-5-yl)ethyl]-4-fluorocyclohexane-1-carboxylic acid;methanamine;methyl 4-[2-(6-chloro-5H-imidazo[5,1-a]isoindol-5-yl)ethyl]-4-fluorocyclohexane-1-carboxylate;hydroxide
CID 157950878
tris([4-[2-(6-chloro-5H-imidazo[5,1-a]isoindol-5-yl)ethyl]-4-fluorocyclohexyl]methanol);4-fluoro-4-[2-(12-fluoro-4,6,9-triazatricyclo[6.4.0.02,6]dodeca-1(12),2,4,8,10-pentaen-7-yl)ethyl]cyclohexan-1-ol;bis(4-fluoro-4-[2-(5H-imidazo[5,1-a]isoindol-5-yl)ethyl]cyclohexan-1-amine)
CID 159627271
tris(2-[4-[2-(6-chloro-5H-imidazo[5,1-a]isoindol-5-yl)ethyl]-4-fluorocyclohexyl]acetamide);tris(2-[4-fluoro-4-[2-(5H-imidazo[5,1-a]isoindol-5-yl)ethyl]cyclohexyl]acetamide)
CID 159873012
6-chloro-5-[2-(1-fluorocyclohexyl)ethyl]-5H-imidazo[5,1-a]isoindole;bis(7-[2-(1-fluoro-4,4-dimethylcyclohexyl)ethyl]-4,6,9,11-tetrazatricyclo[6.4.0.02,6]dodeca-1(12),2,4,8,10-pentaene);bis(2-[4-fluoro-4-[2-(5H-imidazo[5,1-a]isoindol-5-yl)ethyl]cyclohexyl]propan-2-ol)
CID 160378851

Frequently Asked Questions

What is the IUPAC name of tris([4-[2-(6-chloro-5H-imidazo[5,1-a]isoindol-5-yl)ethyl]-4-fluorocyclohexyl]-piperidin-1-ylmethanone);tris(2-[4-fluoro-4-[2-(6-fluoro-5H-imidazo[5,1-a]isoindol-5-yl)ethyl]cyclohexyl]acetamide)?
The IUPAC name of tris([4-[2-(6-chloro-5H-imidazo[5,1-a]isoindol-5-yl)ethyl]-4-fluorocyclohexyl]-piperidin-1-ylmethanone);tris(2-[4-fluoro-4-[2-(6-fluoro-5H-imidazo[5,1-a]isoindol-5-yl)ethyl]cyclohexyl]acetamide) (CID 158058221) is tris([4-[2-(6-chloro-5H-imidazo[5,1-a]isoindol-5-yl)ethyl]-4-fluorocyclohexyl]-piperidin-1-ylmethanone);tris(2-[4-fluoro-4-[2-(6-fluoro-5H-imidazo[5,1-a]isoindol-5-yl)ethyl]cyclohexyl]acetamide).
What is the SMILES notation for tris([4-[2-(6-chloro-5H-imidazo[5,1-a]isoindol-5-yl)ethyl]-4-fluorocyclohexyl]-piperidin-1-ylmethanone);tris(2-[4-fluoro-4-[2-(6-fluoro-5H-imidazo[5,1-a]isoindol-5-yl)ethyl]cyclohexyl]acetamide)?
The canonical SMILES for tris([4-[2-(6-chloro-5H-imidazo[5,1-a]isoindol-5-yl)ethyl]-4-fluorocyclohexyl]-piperidin-1-ylmethanone);tris(2-[4-fluoro-4-[2-(6-fluoro-5H-imidazo[5,1-a]isoindol-5-yl)ethyl]cyclohexyl]acetamide) is NC(=O)CC1CCC(F)(CCC2c3c(F)cccc3-c3cncn32)CC1.NC(=O)CC1CCC(F)(CCC2c3c(F)cccc3-c3cncn32)CC1.NC(=O)CC1CCC(F)(CCC2c3c(F)cccc3-c3cncn32)CC1.O=C(C1CCC(F)(CCC2c3c(Cl)cccc3-c3cncn32)CC1)N1CCCCC1.O=C(C1CCC(F)(CCC2c3c(Cl)cccc3-c3cncn32)CC1)N1CCCCC1.O=C(C1CCC(F)(CCC2c3c(Cl)cccc3-c3cncn32)CC1)N1CCCCC1.
What is the InChIKey of tris([4-[2-(6-chloro-5H-imidazo[5,1-a]isoindol-5-yl)ethyl]-4-fluorocyclohexyl]-piperidin-1-ylmethanone);tris(2-[4-fluoro-4-[2-(6-fluoro-5H-imidazo[5,1-a]isoindol-5-yl)ethyl]cyclohexyl]acetamide)?
The InChIKey is FKIGLFIOYVIHIS-UHFFFAOYSA-N. The full InChI is InChI=1S/3C24H29ClFN3O.3C20H23F2N3O/c3*25-19-6-4-5-18-21-15-27-16-29(21)20(22(18)19)9-12-24(26)10-7-17(8-11-24)23(30)28-13-2-1-3-14-28;3*21-15-3-1-2-14-17-11-24-12-25(17)16(19(14)15)6-9-20(22)7-4-13(5-8-20)10-18(23)26/h3*4-6,15-17,20H,1-3,7-14H2;3*1-3,11-13,16H,4-10H2,(H2,23,26).
What are the key properties of tris([4-[2-(6-chloro-5H-imidazo[5,1-a]isoindol-5-yl)ethyl]-4-fluorocyclohexyl]-piperidin-1-ylmethanone);tris(2-[4-fluoro-4-[2-(6-fluoro-5H-imidazo[5,1-a]isoindol-5-yl)ethyl]cyclohexyl]acetamide)?
tris([4-[2-(6-chloro-5H-imidazo[5,1-a]isoindol-5-yl)ethyl]-4-fluorocyclohexyl]-piperidin-1-ylmethanone);tris(2-[4-fluoro-4-[2-(6-fluoro-5H-imidazo[5,1-a]isoindol-5-yl)ethyl]cyclohexyl]acetamide) has a molecular weight of 2368.16 g/mol, XLogP of 29.83, 27 rotatable bonds, 3 hydrogen bond donors, and 18 hydrogen bond acceptors.
Where does this data come from?
All data for tris([4-[2-(6-chloro-5H-imidazo[5,1-a]isoindol-5-yl)ethyl]-4-fluorocyclohexyl]-piperidin-1-ylmethanone);tris(2-[4-fluoro-4-[2-(6-fluoro-5H-imidazo[5,1-a]isoindol-5-yl)ethyl]cyclohexyl]acetamide) is sourced from PubChem (CID 158058221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).