6-fluoro-5-piperidin-4-yl-5H-imidazo[5,1-a]isoindole;tris(6-fluoro-5-(1-pyridin-2-ylpiperidin-4-yl)-5H-imidazo[5,1-a]isoindole);bis(2,2,2-trifluoroacetic acid)

C79H75F10N15O4 — CID 159762696

IUPAC6-fluoro-5-piperidin-4-yl-5H-imidazo[5,1-a]isoindole;tris(6-fluoro-5-(1-pyridin-2-ylpiperidin-4-yl)-5H-imidazo[5,1-a]isoindole);bis(2,2,2-trifluoroacetic acid)
SMILESFc1cccc2c1C(C1CCN(c3ccccn3)CC1)n1cncc1-2.Fc1cccc2c1C(C1CCN(c3ccccn3)CC1)n1cncc1-2.Fc1cccc2c1C(C1CCN(c3ccccn3)CC1)n1cncc1-2.Fc1cccc2c1C(C1CCNCC1)n1cncc1-2.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F
InChIInChI=1S/3C20H19FN4.C15H16FN3.2C2HF3O2/c3*21-16-5-3-4-15-17-12-22-13-25(17)20(19(15)16)14-7-10-24(11-8-14)18-6-1-2-9-23-18;16-12-3-1-2-11-13-8-18-9-19(13)15(14(11)12)10-4-6-17-7-5-10;2*3-2(4,5)1(6)7/h3*1-6,9,12-14,20H,7-8,10-11H2;1-3,8-10,15,17H,4-7H2;2*(H,6,7)
InChIKeyOWSOLAGKMFZLJM-UHFFFAOYSA-N
MW1488.55 g/mol
LogP15.57
Rot. Bonds7

About 6-fluoro-5-piperidin-4-yl-5H-imidazo[5,1-a]isoindole;tris(6-fluoro-5-(1-pyridin-2-ylpiperidin-4-yl)-5H-imidazo[5,1-a]isoindole);bis(2,2,2-trifluoroacetic acid)

6-fluoro-5-piperidin-4-yl-5H-imidazo[5,1-a]isoindole;tris(6-fluoro-5-(1-pyridin-2-ylpiperidin-4-yl)-5H-imidazo[5,1-a]isoindole);bis(2,2,2-trifluoroacetic acid) (PubChem CID 159762696) has the molecular formula C79H75F10N15O4 and a molecular weight of 1488.55 g/mol. Its IUPAC name is 6-fluoro-5-piperidin-4-yl-5H-imidazo[5,1-a]isoindole;tris(6-fluoro-5-(1-pyridin-2-ylpiperidin-4-yl)-5H-imidazo[5,1-a]isoindole);bis(2,2,2-trifluoroacetic acid).

Molecular Properties

Compound Name6-fluoro-5-piperidin-4-yl-5H-imidazo[5,1-a]isoindole;tris(6-fluoro-5-(1-pyridin-2-ylpiperidin-4-yl)-5H-imidazo[5,1-a]isoindole);bis(2,2,2-trifluoroacetic acid)
PubChem CID159762696
Molecular FormulaC79H75F10N15O4
Molecular Weight1488.55 g/mol
Exact Mass1487.60
IUPAC Name6-fluoro-5-piperidin-4-yl-5H-imidazo[5,1-a]isoindole;tris(6-fluoro-5-(1-pyridin-2-ylpiperidin-4-yl)-5H-imidazo[5,1-a]isoindole);bis(2,2,2-trifluoroacetic acid)
SMILESFc1cccc2c1C(C1CCN(c3ccccn3)CC1)n1cncc1-2.Fc1cccc2c1C(C1CCN(c3ccccn3)CC1)n1cncc1-2.Fc1cccc2c1C(C1CCN(c3ccccn3)CC1)n1cncc1-2.Fc1cccc2c1C(C1CCNCC1)n1cncc1-2.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F
InChIInChI=1S/3C20H19FN4.C15H16FN3.2C2HF3O2/c3*21-16-5-3-4-15-17-12-22-13-25(17)20(19(15)16)14-7-10-24(11-8-14)18-6-1-2-9-23-18;16-12-3-1-2-11-13-8-18-9-19(13)15(14(11)12)10-4-6-17-7-5-10;2*3-2(4,5)1(6)7/h3*1-6,9,12-14,20H,7-8,10-11H2;1-3,8-10,15,17H,4-7H2;2*(H,6,7)
InChIKeyOWSOLAGKMFZLJM-UHFFFAOYSA-N
XLogP15.57
TPSA206.30 Ų
H-Bond Donors3
H-Bond Acceptors17
Rotatable Bonds7
Heavy Atoms108
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001488.55
LogP ≤ 515.57
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1017

Analyze 6-fluoro-5-piperidin-4-yl-5H-imidazo[5,1-a]isoindole;tris(6-fluoro-5-(1-pyridin-2-ylpiperidin-4-yl)-5H-imidazo[5,1-a]isoindole);bis(2,2,2-trifluoroacetic acid) with MolForge

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Related Compounds

tert-butyl (3aS,6aS)-5-[[2-[[4-[3-[5-[(3aS,6aS)-5-[[2-[[5-fluoro-4-(7-fluoro-2-methyl-3-propan-2-ylbenzimidazol-5-yl)-2-pyridinyl]amino]pyrimidin-5-yl]methyl]-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrol-1-yl]pentan-2-yl]-7-fluoro-2-methylbenzimidazol-5-yl]-5-fluoro-2-pyridinyl]amino]pyrimidin-5-yl]methyl]-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrole-1-carboxylate
CID 144878207
2-[4,5-Bis(trifluoromethyl)imidazol-3-id-2-yl]pyridine;4-hydroxy-3-methylpent-3-en-2-one;tetrakis(4-hydroxypent-3-en-2-one);2-(4-methyl-2-pyridinyl)benzimidazol-1-ide;platinum;bis(2-pyridin-2-ylbenzimidazol-1-ide);4,5,6,7-tetrafluoro-2-pyridin-2-ylbenzimidazol-1-ide
CID 157460312
4-hydroxypent-3-en-2-one;pentakis(iridium);3-(3H-naphthalen-3-id-2-yl)imidazo[1,5-a]pyridine;3-phenylimidazo[5,1-a]isoquinoline;bis(3-phenylimidazo[1,5-a]pyridine);3-[3-(trifluoromethyl)benzene-6-id-1-yl]imidazo[1,5-a]pyridine
CID 157469702
Bis(1-cyclohexyl-2-(10-fluoro-4,6,11-triazatricyclo[6.4.0.02,6]dodeca-1(12),2,4,8,10-pentaen-7-yl)ethanol);tetrakis(1-(4,4-difluorocyclohexyl)-2-(4,6,9-triazatricyclo[6.4.0.02,6]dodeca-1(8),2,4,9,11-pentaen-7-yl)ethanol)
CID 157558543
5-bromo-2-[4-(6-fluoro-5H-imidazo[5,1-a]isoindol-5-yl)piperidin-1-yl]-1,3-thiazole;tris(2-[4-(6-fluoro-5H-imidazo[5,1-a]isoindol-5-yl)piperidin-1-yl]-5-phenyl-1,3-thiazole);6-fluoro-5-piperidin-4-yl-5H-imidazo[5,1-a]isoindole;methane;bis(2,2,2-trifluoroacetic acid)
CID 157576012
2-[(2R,5R)-2-[(2-chloroimidazol-1-yl)methyl]-5-methylpiperazin-1-yl]-1-[6-[(4-fluorophenyl)methyl]-3,3-dimethyl-2H-pyrrolo[3,2-b]pyridin-1-yl]ethanone;2-[(2R,5R)-2-[(2,4-dimethylimidazol-1-yl)methyl]-5-methylpiperazin-1-yl]-1-[6-[(4-fluorophenyl)methyl]-3,3-dimethyl-2H-pyrrolo[3,2-b]pyridin-1-yl]ethanone;1-[6-[(4-fluorophenyl)methyl]-3,3-dimethyl-2H-pyrrolo[3,2-b]pyridin-1-yl]-2-[(2R,5R)-2-(imidazol-1-ylmethyl)-5-methylpiperazin-1-yl]ethanone;1-[6-[(4-fluorophenyl)methyl]-3,3-dimethyl-2H-pyrrolo[3,2-b]pyridin-1-yl]-2-[(2R,5R)-5-methyl-2-[[2-(trifluoromethyl)imidazol-1-yl]methyl]piperazin-1-yl]ethanone
CID 157670004
3-[4-(2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-ylmethyl)-3-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridine;tert-butyl 2-[[4-imidazo[1,2-a]pyridin-3-yl-2-(trifluoromethyl)phenyl]methyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-5-carboxylate
CID 157700670
tris(6-fluoro-5-[1-(1-methylindol-4-yl)piperidin-4-yl]-5H-imidazo[5,1-a]isoindole);6-fluoro-5-piperidin-4-yl-5H-imidazo[5,1-a]isoindole;bis(2,2,2-trifluoroacetic acid)
CID 157849041
2-[4,5-Bis(trifluoromethyl)imidazol-3-id-2-yl]pyridine;2-(4,5-dimethylimidazol-3-id-2-yl)pyridine;4-hydroxy-3-methylpent-3-en-2-one;pentakis(4-hydroxypent-3-en-2-one);2-(4-methyl-2-pyridinyl)benzimidazol-1-ide;platinum;bis(2-pyridin-2-ylbenzimidazol-1-ide);4,5,6,7-tetrafluoro-2-pyridin-2-ylbenzimidazol-1-ide
CID 157926172
3,6-dimethyl-10H-imidazo[2,1-a]isoquinolin-10-ide;1,1,1,5,5,5-hexafluoro-4-hydroxypent-3-en-2-one;pentakis(10H-imidazo[2,1-a]isoquinolin-10-ide);3-methyl-2-phenylpyridine;2-(2H-naphthalen-2-id-1-yl)pyridine;1-phenylisoquinoline;bis(2-phenylpyridine);platinum;pentakis(platinum(2+))
CID 158060077
(2S)-2-amino-1-[4-fluoro-4-[2-(6-fluoro-5H-imidazo[5,1-a]isoindol-5-yl)ethyl]piperidin-1-yl]-3-methylbutan-1-one;(2S)-1-[4-fluoro-4-[2-(6-fluoro-5H-imidazo[5,1-a]isoindol-5-yl)ethyl]piperidin-1-yl]-2,3-dimethylbutan-1-one;6-fluoro-5-[2-(4-fluoropiperidin-4-yl)ethyl]-5H-imidazo[5,1-a]isoindole;methane;3-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoic acid;2,2,2-trifluoroacetaldehyde
CID 158232103
5-cyclohexyl-6-fluoro-5H-imidazo[5,1-a]isoindole;3-[4-(6-fluoro-5H-imidazo[5,1-a]isoindol-5-yl)piperidin-1-yl]aniline;tris(N-[3-[4-(6-fluoro-5H-imidazo[5,1-a]isoindol-5-yl)piperidin-1-yl]phenyl]acetamide);6-fluoro-5-[1-(3-nitrophenyl)piperidin-4-yl]-5H-imidazo[5,1-a]isoindole;bis(2,2,2-trifluoroacetic acid)
CID 158385617

Frequently Asked Questions

What is the IUPAC name of 6-fluoro-5-piperidin-4-yl-5H-imidazo[5,1-a]isoindole;tris(6-fluoro-5-(1-pyridin-2-ylpiperidin-4-yl)-5H-imidazo[5,1-a]isoindole);bis(2,2,2-trifluoroacetic acid)?
The IUPAC name of 6-fluoro-5-piperidin-4-yl-5H-imidazo[5,1-a]isoindole;tris(6-fluoro-5-(1-pyridin-2-ylpiperidin-4-yl)-5H-imidazo[5,1-a]isoindole);bis(2,2,2-trifluoroacetic acid) (CID 159762696) is 6-fluoro-5-piperidin-4-yl-5H-imidazo[5,1-a]isoindole;tris(6-fluoro-5-(1-pyridin-2-ylpiperidin-4-yl)-5H-imidazo[5,1-a]isoindole);bis(2,2,2-trifluoroacetic acid).
What is the SMILES notation for 6-fluoro-5-piperidin-4-yl-5H-imidazo[5,1-a]isoindole;tris(6-fluoro-5-(1-pyridin-2-ylpiperidin-4-yl)-5H-imidazo[5,1-a]isoindole);bis(2,2,2-trifluoroacetic acid)?
The canonical SMILES for 6-fluoro-5-piperidin-4-yl-5H-imidazo[5,1-a]isoindole;tris(6-fluoro-5-(1-pyridin-2-ylpiperidin-4-yl)-5H-imidazo[5,1-a]isoindole);bis(2,2,2-trifluoroacetic acid) is Fc1cccc2c1C(C1CCN(c3ccccn3)CC1)n1cncc1-2.Fc1cccc2c1C(C1CCN(c3ccccn3)CC1)n1cncc1-2.Fc1cccc2c1C(C1CCN(c3ccccn3)CC1)n1cncc1-2.Fc1cccc2c1C(C1CCNCC1)n1cncc1-2.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F.
What is the InChIKey of 6-fluoro-5-piperidin-4-yl-5H-imidazo[5,1-a]isoindole;tris(6-fluoro-5-(1-pyridin-2-ylpiperidin-4-yl)-5H-imidazo[5,1-a]isoindole);bis(2,2,2-trifluoroacetic acid)?
The InChIKey is OWSOLAGKMFZLJM-UHFFFAOYSA-N. The full InChI is InChI=1S/3C20H19FN4.C15H16FN3.2C2HF3O2/c3*21-16-5-3-4-15-17-12-22-13-25(17)20(19(15)16)14-7-10-24(11-8-14)18-6-1-2-9-23-18;16-12-3-1-2-11-13-8-18-9-19(13)15(14(11)12)10-4-6-17-7-5-10;2*3-2(4,5)1(6)7/h3*1-6,9,12-14,20H,7-8,10-11H2;1-3,8-10,15,17H,4-7H2;2*(H,6,7).
What are the key properties of 6-fluoro-5-piperidin-4-yl-5H-imidazo[5,1-a]isoindole;tris(6-fluoro-5-(1-pyridin-2-ylpiperidin-4-yl)-5H-imidazo[5,1-a]isoindole);bis(2,2,2-trifluoroacetic acid)?
6-fluoro-5-piperidin-4-yl-5H-imidazo[5,1-a]isoindole;tris(6-fluoro-5-(1-pyridin-2-ylpiperidin-4-yl)-5H-imidazo[5,1-a]isoindole);bis(2,2,2-trifluoroacetic acid) has a molecular weight of 1488.55 g/mol, XLogP of 15.57, 7 rotatable bonds, 3 hydrogen bond donors, and 17 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-5-piperidin-4-yl-5H-imidazo[5,1-a]isoindole;tris(6-fluoro-5-(1-pyridin-2-ylpiperidin-4-yl)-5H-imidazo[5,1-a]isoindole);bis(2,2,2-trifluoroacetic acid) is sourced from PubChem (CID 159762696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).