3-[4-(6-fluoro-5H-imidazo[5,1-a]isoindol-5-yl)piperidin-1-yl]aniline;4-[4-(6-fluoro-5H-imidazo[5,1-a]isoindol-5-yl)piperidin-1-yl]benzoic acid;4-[4-(6-fluoro-5H-imidazo[5,1-a]isoindol-5-yl)piperidin-1-yl]-N-(oxan-4-yl)benzamide;1-[3-[4-(6-fluoro-5H-imidazo[5,1-a]isoindol-5-yl)piperidin-1-yl]phenyl]propan-2-one;6-fluoro-5-[1-(3-nitrophenyl)piperidin-4-yl]-5H-imidazo[5,1-a]isoindole;6-fluoro-5-[1-(4-piperazin-1-ylphenyl)piperidin-4-yl]-5H-imidazo[5,1-a]isoindole

C140H141F6N23O7 — CID 158070371

IUPAC3-[4-(6-fluoro-5H-imidazo[5,1-a]isoindol-5-yl)piperidin-1-yl]aniline;4-[4-(6-fluoro-5H-imidazo[5,1-a]isoindol-5-yl)piperidin-1-yl]benzoic acid;4-[4-(6-fluoro-5H-imidazo[5,1-a]isoindol-5-yl)piperidin-1-yl]-N-(oxan-4-yl)benzamide;1-[3-[4-(6-fluoro-5H-imidazo[5,1-a]isoindol-5-yl)piperidin-1-yl]phenyl]propan-2-one;6-fluoro-5-[1-(3-nitrophenyl)piperidin-4-yl]-5H-imidazo[5,1-a]isoindole;6-fluoro-5-[1-(4-piperazin-1-ylphenyl)piperidin-4-yl]-5H-imidazo[5,1-a]isoindole
SMILESCC(=O)Cc1cccc(N2CCC(C3c4c(F)cccc4-c4cncn43)CC2)c1.Fc1cccc2c1C(C1CCN(c3ccc(N4CCNCC4)cc3)CC1)n1cncc1-2.Nc1cccc(N2CCC(C3c4c(F)cccc4-c4cncn43)CC2)c1.O=C(NC1CCOCC1)c1ccc(N2CCC(C3c4c(F)cccc4-c4cncn43)CC2)cc1.O=C(O)c1ccc(N2CCC(C3c4c(F)cccc4-c4cncn43)CC2)cc1.O=[N+]([O-])c1cccc(N2CCC(C3c4c(F)cccc4-c4cncn43)CC2)c1
InChIInChI=1S/C27H29FN4O2.C25H28FN5.C24H24FN3O.C22H20FN3O2.C21H19FN4O2.C21H21FN4/c28-23-3-1-2-22-24-16-29-17-32(24)26(25(22)23)18-8-12-31(13-9-18)21-6-4-19(5-7-21)27(33)30-20-10-14-34-15-11-20;26-22-3-1-2-21-23-16-28-17-31(23)25(24(21)22)18-8-12-29(13-9-18)19-4-6-20(7-5-19)30-14-10-27-11-15-30;1-16(29)12-17-4-2-5-19(13-17)27-10-8-18(9-11-27)24-23-20(6-3-7-21(23)25)22-14-26-15-28(22)24;23-18-3-1-2-17-19-12-24-13-26(19)21(20(17)18)14-8-10-25(11-9-14)16-6-4-15(5-7-16)22(27)28;22-18-6-2-5-17-19-12-23-13-25(19)21(20(17)18)14-7-9-24(10-8-14)15-3-1-4-16(11-15)26(27)28;22-18-6-2-5-17-19-12-24-13-26(19)21(20(17)18)14-7-9-25(10-8-14)16-4-1-3-15(23)11-16/h1-7,16-18,20,26H,8-15H2,(H,30,33);1-7,16-18,25,27H,8-15H2;2-7,13-15,18,24H,8-12H2,1H3;1-7,12-14,21H,8-11H2,(H,27,28);1-6,11-14,21H,7-10H2;1-6,11-14,21H,7-10,23H2
InChIKeyFLTCGODUAVCJSM-UHFFFAOYSA-N
MW2371.81 g/mol
LogP25.69
Rot. Bonds19

About 3-[4-(6-fluoro-5H-imidazo[5,1-a]isoindol-5-yl)piperidin-1-yl]aniline;4-[4-(6-fluoro-5H-imidazo[5,1-a]isoindol-5-yl)piperidin-1-yl]benzoic acid;4-[4-(6-fluoro-5H-imidazo[5,1-a]isoindol-5-yl)piperidin-1-yl]-N-(oxan-4-yl)benzamide;1-[3-[4-(6-fluoro-5H-imidazo[5,1-a]isoindol-5-yl)piperidin-1-yl]phenyl]propan-2-one;6-fluoro-5-[1-(3-nitrophenyl)piperidin-4-yl]-5H-imidazo[5,1-a]isoindole;6-fluoro-5-[1-(4-piperazin-1-ylphenyl)piperidin-4-yl]-5H-imidazo[5,1-a]isoindole

3-[4-(6-fluoro-5H-imidazo[5,1-a]isoindol-5-yl)piperidin-1-yl]aniline;4-[4-(6-fluoro-5H-imidazo[5,1-a]isoindol-5-yl)piperidin-1-yl]benzoic acid;4-[4-(6-fluoro-5H-imidazo[5,1-a]isoindol-5-yl)piperidin-1-yl]-N-(oxan-4-yl)benzamide;1-[3-[4-(6-fluoro-5H-imidazo[5,1-a]isoindol-5-yl)piperidin-1-yl]phenyl]propan-2-one;6-fluoro-5-[1-(3-nitrophenyl)piperidin-4-yl]-5H-imidazo[5,1-a]isoindole;6-fluoro-5-[1-(4-piperazin-1-ylphenyl)piperidin-4-yl]-5H-imidazo[5,1-a]isoindole (PubChem CID 158070371) has the molecular formula C140H141F6N23O7 and a molecular weight of 2371.81 g/mol. Its IUPAC name is 3-[4-(6-fluoro-5H-imidazo[5,1-a]isoindol-5-yl)piperidin-1-yl]aniline;4-[4-(6-fluoro-5H-imidazo[5,1-a]isoindol-5-yl)piperidin-1-yl]benzoic acid;4-[4-(6-fluoro-5H-imidazo[5,1-a]isoindol-5-yl)piperidin-1-yl]-N-(oxan-4-yl)benzamide;1-[3-[4-(6-fluoro-5H-imidazo[5,1-a]isoindol-5-yl)piperidin-1-yl]phenyl]propan-2-one;6-fluoro-5-[1-(3-nitrophenyl)piperidin-4-yl]-5H-imidazo[5,1-a]isoindole;6-fluoro-5-[1-(4-piperazin-1-ylphenyl)piperidin-4-yl]-5H-imidazo[5,1-a]isoindole.

Molecular Properties

Compound Name3-[4-(6-fluoro-5H-imidazo[5,1-a]isoindol-5-yl)piperidin-1-yl]aniline;4-[4-(6-fluoro-5H-imidazo[5,1-a]isoindol-5-yl)piperidin-1-yl]benzoic acid;4-[4-(6-fluoro-5H-imidazo[5,1-a]isoindol-5-yl)piperidin-1-yl]-N-(oxan-4-yl)benzamide;1-[3-[4-(6-fluoro-5H-imidazo[5,1-a]isoindol-5-yl)piperidin-1-yl]phenyl]propan-2-one;6-fluoro-5-[1-(3-nitrophenyl)piperidin-4-yl]-5H-imidazo[5,1-a]isoindole;6-fluoro-5-[1-(4-piperazin-1-ylphenyl)piperidin-4-yl]-5H-imidazo[5,1-a]isoindole
PubChem CID158070371
Molecular FormulaC140H141F6N23O7
Molecular Weight2371.81 g/mol
Exact Mass2370.13
IUPAC Name3-[4-(6-fluoro-5H-imidazo[5,1-a]isoindol-5-yl)piperidin-1-yl]aniline;4-[4-(6-fluoro-5H-imidazo[5,1-a]isoindol-5-yl)piperidin-1-yl]benzoic acid;4-[4-(6-fluoro-5H-imidazo[5,1-a]isoindol-5-yl)piperidin-1-yl]-N-(oxan-4-yl)benzamide;1-[3-[4-(6-fluoro-5H-imidazo[5,1-a]isoindol-5-yl)piperidin-1-yl]phenyl]propan-2-one;6-fluoro-5-[1-(3-nitrophenyl)piperidin-4-yl]-5H-imidazo[5,1-a]isoindole;6-fluoro-5-[1-(4-piperazin-1-ylphenyl)piperidin-4-yl]-5H-imidazo[5,1-a]isoindole
SMILESCC(=O)Cc1cccc(N2CCC(C3c4c(F)cccc4-c4cncn43)CC2)c1.Fc1cccc2c1C(C1CCN(c3ccc(N4CCNCC4)cc3)CC1)n1cncc1-2.Nc1cccc(N2CCC(C3c4c(F)cccc4-c4cncn43)CC2)c1.O=C(NC1CCOCC1)c1ccc(N2CCC(C3c4c(F)cccc4-c4cncn43)CC2)cc1.O=C(O)c1ccc(N2CCC(C3c4c(F)cccc4-c4cncn43)CC2)cc1.O=[N+]([O-])c1cccc(N2CCC(C3c4c(F)cccc4-c4cncn43)CC2)c1
InChIInChI=1S/C27H29FN4O2.C25H28FN5.C24H24FN3O.C22H20FN3O2.C21H19FN4O2.C21H21FN4/c28-23-3-1-2-22-24-16-29-17-32(24)26(25(22)23)18-8-12-31(13-9-18)21-6-4-19(5-7-21)27(33)30-20-10-14-34-15-11-20;26-22-3-1-2-21-23-16-28-17-31(23)25(24(21)22)18-8-12-29(13-9-18)19-4-6-20(7-5-19)30-14-10-27-11-15-30;1-16(29)12-17-4-2-5-19(13-17)27-10-8-18(9-11-27)24-23-20(6-3-7-21(23)25)22-14-26-15-28(22)24;23-18-3-1-2-17-19-12-24-13-26(19)21(20(17)18)14-8-10-25(11-9-14)16-6-4-15(5-7-16)22(27)28;22-18-6-2-5-17-19-12-23-13-25(19)21(20(17)18)14-7-9-24(10-8-14)15-3-1-4-16(11-15)26(27)28;22-18-6-2-5-17-19-12-24-13-26(19)21(20(17)18)14-7-9-25(10-8-14)16-4-1-3-15(23)11-16/h1-7,16-18,20,26H,8-15H2,(H,30,33);1-7,16-18,25,27H,8-15H2;2-7,13-15,18,24H,8-12H2,1H3;1-7,12-14,21H,8-11H2,(H,27,28);1-6,11-14,21H,7-10H2;1-6,11-14,21H,7-10,23H2
InChIKeyFLTCGODUAVCJSM-UHFFFAOYSA-N
XLogP25.69
TPSA303.49 Ų
H-Bond Donors4
H-Bond Acceptors27
Rotatable Bonds19
Heavy Atoms176
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002371.81
LogP ≤ 525.69
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1027

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 3-[4-(6-fluoro-5H-imidazo[5,1-a]isoindol-5-yl)piperidin-1-yl]aniline;4-[4-(6-fluoro-5H-imidazo[5,1-a]isoindol-5-yl)piperidin-1-yl]benzoic acid;4-[4-(6-fluoro-5H-imidazo[5,1-a]isoindol-5-yl)piperidin-1-yl]-N-(oxan-4-yl)benzamide;1-[3-[4-(6-fluoro-5H-imidazo[5,1-a]isoindol-5-yl)piperidin-1-yl]phenyl]propan-2-one;6-fluoro-5-[1-(3-nitrophenyl)piperidin-4-yl]-5H-imidazo[5,1-a]isoindole;6-fluoro-5-[1-(4-piperazin-1-ylphenyl)piperidin-4-yl]-5H-imidazo[5,1-a]isoindole with MolForge

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Frequently Asked Questions

What is the IUPAC name of 3-[4-(6-fluoro-5H-imidazo[5,1-a]isoindol-5-yl)piperidin-1-yl]aniline;4-[4-(6-fluoro-5H-imidazo[5,1-a]isoindol-5-yl)piperidin-1-yl]benzoic acid;4-[4-(6-fluoro-5H-imidazo[5,1-a]isoindol-5-yl)piperidin-1-yl]-N-(oxan-4-yl)benzamide;1-[3-[4-(6-fluoro-5H-imidazo[5,1-a]isoindol-5-yl)piperidin-1-yl]phenyl]propan-2-one;6-fluoro-5-[1-(3-nitrophenyl)piperidin-4-yl]-5H-imidazo[5,1-a]isoindole;6-fluoro-5-[1-(4-piperazin-1-ylphenyl)piperidin-4-yl]-5H-imidazo[5,1-a]isoindole?
The IUPAC name of 3-[4-(6-fluoro-5H-imidazo[5,1-a]isoindol-5-yl)piperidin-1-yl]aniline;4-[4-(6-fluoro-5H-imidazo[5,1-a]isoindol-5-yl)piperidin-1-yl]benzoic acid;4-[4-(6-fluoro-5H-imidazo[5,1-a]isoindol-5-yl)piperidin-1-yl]-N-(oxan-4-yl)benzamide;1-[3-[4-(6-fluoro-5H-imidazo[5,1-a]isoindol-5-yl)piperidin-1-yl]phenyl]propan-2-one;6-fluoro-5-[1-(3-nitrophenyl)piperidin-4-yl]-5H-imidazo[5,1-a]isoindole;6-fluoro-5-[1-(4-piperazin-1-ylphenyl)piperidin-4-yl]-5H-imidazo[5,1-a]isoindole (CID 158070371) is 3-[4-(6-fluoro-5H-imidazo[5,1-a]isoindol-5-yl)piperidin-1-yl]aniline;4-[4-(6-fluoro-5H-imidazo[5,1-a]isoindol-5-yl)piperidin-1-yl]benzoic acid;4-[4-(6-fluoro-5H-imidazo[5,1-a]isoindol-5-yl)piperidin-1-yl]-N-(oxan-4-yl)benzamide;1-[3-[4-(6-fluoro-5H-imidazo[5,1-a]isoindol-5-yl)piperidin-1-yl]phenyl]propan-2-one;6-fluoro-5-[1-(3-nitrophenyl)piperidin-4-yl]-5H-imidazo[5,1-a]isoindole;6-fluoro-5-[1-(4-piperazin-1-ylphenyl)piperidin-4-yl]-5H-imidazo[5,1-a]isoindole.
What is the SMILES notation for 3-[4-(6-fluoro-5H-imidazo[5,1-a]isoindol-5-yl)piperidin-1-yl]aniline;4-[4-(6-fluoro-5H-imidazo[5,1-a]isoindol-5-yl)piperidin-1-yl]benzoic acid;4-[4-(6-fluoro-5H-imidazo[5,1-a]isoindol-5-yl)piperidin-1-yl]-N-(oxan-4-yl)benzamide;1-[3-[4-(6-fluoro-5H-imidazo[5,1-a]isoindol-5-yl)piperidin-1-yl]phenyl]propan-2-one;6-fluoro-5-[1-(3-nitrophenyl)piperidin-4-yl]-5H-imidazo[5,1-a]isoindole;6-fluoro-5-[1-(4-piperazin-1-ylphenyl)piperidin-4-yl]-5H-imidazo[5,1-a]isoindole?
The canonical SMILES for 3-[4-(6-fluoro-5H-imidazo[5,1-a]isoindol-5-yl)piperidin-1-yl]aniline;4-[4-(6-fluoro-5H-imidazo[5,1-a]isoindol-5-yl)piperidin-1-yl]benzoic acid;4-[4-(6-fluoro-5H-imidazo[5,1-a]isoindol-5-yl)piperidin-1-yl]-N-(oxan-4-yl)benzamide;1-[3-[4-(6-fluoro-5H-imidazo[5,1-a]isoindol-5-yl)piperidin-1-yl]phenyl]propan-2-one;6-fluoro-5-[1-(3-nitrophenyl)piperidin-4-yl]-5H-imidazo[5,1-a]isoindole;6-fluoro-5-[1-(4-piperazin-1-ylphenyl)piperidin-4-yl]-5H-imidazo[5,1-a]isoindole is CC(=O)Cc1cccc(N2CCC(C3c4c(F)cccc4-c4cncn43)CC2)c1.Fc1cccc2c1C(C1CCN(c3ccc(N4CCNCC4)cc3)CC1)n1cncc1-2.Nc1cccc(N2CCC(C3c4c(F)cccc4-c4cncn43)CC2)c1.O=C(NC1CCOCC1)c1ccc(N2CCC(C3c4c(F)cccc4-c4cncn43)CC2)cc1.O=C(O)c1ccc(N2CCC(C3c4c(F)cccc4-c4cncn43)CC2)cc1.O=[N+]([O-])c1cccc(N2CCC(C3c4c(F)cccc4-c4cncn43)CC2)c1.
What is the InChIKey of 3-[4-(6-fluoro-5H-imidazo[5,1-a]isoindol-5-yl)piperidin-1-yl]aniline;4-[4-(6-fluoro-5H-imidazo[5,1-a]isoindol-5-yl)piperidin-1-yl]benzoic acid;4-[4-(6-fluoro-5H-imidazo[5,1-a]isoindol-5-yl)piperidin-1-yl]-N-(oxan-4-yl)benzamide;1-[3-[4-(6-fluoro-5H-imidazo[5,1-a]isoindol-5-yl)piperidin-1-yl]phenyl]propan-2-one;6-fluoro-5-[1-(3-nitrophenyl)piperidin-4-yl]-5H-imidazo[5,1-a]isoindole;6-fluoro-5-[1-(4-piperazin-1-ylphenyl)piperidin-4-yl]-5H-imidazo[5,1-a]isoindole?
The InChIKey is FLTCGODUAVCJSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H29FN4O2.C25H28FN5.C24H24FN3O.C22H20FN3O2.C21H19FN4O2.C21H21FN4/c28-23-3-1-2-22-24-16-29-17-32(24)26(25(22)23)18-8-12-31(13-9-18)21-6-4-19(5-7-21)27(33)30-20-10-14-34-15-11-20;26-22-3-1-2-21-23-16-28-17-31(23)25(24(21)22)18-8-12-29(13-9-18)19-4-6-20(7-5-19)30-14-10-27-11-15-30;1-16(29)12-17-4-2-5-19(13-17)27-10-8-18(9-11-27)24-23-20(6-3-7-21(23)25)22-14-26-15-28(22)24;23-18-3-1-2-17-19-12-24-13-26(19)21(20(17)18)14-8-10-25(11-9-14)16-6-4-15(5-7-16)22(27)28;22-18-6-2-5-17-19-12-23-13-25(19)21(20(17)18)14-7-9-24(10-8-14)15-3-1-4-16(11-15)26(27)28;22-18-6-2-5-17-19-12-24-13-26(19)21(20(17)18)14-7-9-25(10-8-14)16-4-1-3-15(23)11-16/h1-7,16-18,20,26H,8-15H2,(H,30,33);1-7,16-18,25,27H,8-15H2;2-7,13-15,18,24H,8-12H2,1H3;1-7,12-14,21H,8-11H2,(H,27,28);1-6,11-14,21H,7-10H2;1-6,11-14,21H,7-10,23H2.
What are the key properties of 3-[4-(6-fluoro-5H-imidazo[5,1-a]isoindol-5-yl)piperidin-1-yl]aniline;4-[4-(6-fluoro-5H-imidazo[5,1-a]isoindol-5-yl)piperidin-1-yl]benzoic acid;4-[4-(6-fluoro-5H-imidazo[5,1-a]isoindol-5-yl)piperidin-1-yl]-N-(oxan-4-yl)benzamide;1-[3-[4-(6-fluoro-5H-imidazo[5,1-a]isoindol-5-yl)piperidin-1-yl]phenyl]propan-2-one;6-fluoro-5-[1-(3-nitrophenyl)piperidin-4-yl]-5H-imidazo[5,1-a]isoindole;6-fluoro-5-[1-(4-piperazin-1-ylphenyl)piperidin-4-yl]-5H-imidazo[5,1-a]isoindole?
3-[4-(6-fluoro-5H-imidazo[5,1-a]isoindol-5-yl)piperidin-1-yl]aniline;4-[4-(6-fluoro-5H-imidazo[5,1-a]isoindol-5-yl)piperidin-1-yl]benzoic acid;4-[4-(6-fluoro-5H-imidazo[5,1-a]isoindol-5-yl)piperidin-1-yl]-N-(oxan-4-yl)benzamide;1-[3-[4-(6-fluoro-5H-imidazo[5,1-a]isoindol-5-yl)piperidin-1-yl]phenyl]propan-2-one;6-fluoro-5-[1-(3-nitrophenyl)piperidin-4-yl]-5H-imidazo[5,1-a]isoindole;6-fluoro-5-[1-(4-piperazin-1-ylphenyl)piperidin-4-yl]-5H-imidazo[5,1-a]isoindole has a molecular weight of 2371.81 g/mol, XLogP of 25.69, 19 rotatable bonds, 4 hydrogen bond donors, and 27 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(6-fluoro-5H-imidazo[5,1-a]isoindol-5-yl)piperidin-1-yl]aniline;4-[4-(6-fluoro-5H-imidazo[5,1-a]isoindol-5-yl)piperidin-1-yl]benzoic acid;4-[4-(6-fluoro-5H-imidazo[5,1-a]isoindol-5-yl)piperidin-1-yl]-N-(oxan-4-yl)benzamide;1-[3-[4-(6-fluoro-5H-imidazo[5,1-a]isoindol-5-yl)piperidin-1-yl]phenyl]propan-2-one;6-fluoro-5-[1-(3-nitrophenyl)piperidin-4-yl]-5H-imidazo[5,1-a]isoindole;6-fluoro-5-[1-(4-piperazin-1-ylphenyl)piperidin-4-yl]-5H-imidazo[5,1-a]isoindole is sourced from PubChem (CID 158070371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).