2-[4-(6-fluoro-5H-imidazo[5,1-a]isoindol-5-yl)piperidin-1-yl]-5-(2-fluoro-4-pyridinyl)-1,3,4-thiadiazole;2-[4-(6-fluoro-5H-imidazo[5,1-a]isoindol-5-yl)piperidin-1-yl]pyrimidin-5-ol;2-[4-(6-fluoro-5H-imidazo[5,1-a]isoindol-5-yl)piperidin-1-yl]-1,3,4-thiadiazole;4-[5-[4-(6-fluoro-5H-imidazo[5,1-a]isoindol-5-yl)piperidin-1-yl]-1,3,4-thiadiazol-2-yl]-N-[(4-methoxyphenyl)methyl]pyridin-2-amine;6-fluoro-5-[1-(5-phenylmethoxypyrimidin-2-yl)piperidin-4-yl]-5H-imidazo[5,1-a]isoindole

C114H104F6N28O3S3 — CID 158294497

About 2-[4-(6-fluoro-5H-imidazo[5,1-a]isoindol-5-yl)piperidin-1-yl]-5-(2-fluoro-4-pyridinyl)-1,3,4-thiadiazole;2-[4-(6-fluoro-5H-imidazo[5,1-a]isoindol-5-yl)piperidin-1-yl]pyrimidin-5-ol;2-[4-(6-fluoro-5H-imidazo[5,1-a]isoindol-5-yl)piperidin-1-yl]-1,3,4-thiadiazole;4-[5-[4-(6-fluoro-5H-imidazo[5,1-a]isoindol-5-yl)piperidin-1-yl]-1,3,4-thiadiazol-2-yl]-N-[(4-methoxyphenyl)methyl]pyridin-2-amine;6-fluoro-5-[1-(5-phenylmethoxypyrimidin-2-yl)piperidin-4-yl]-5H-imidazo[5,1-a]isoindole

2-[4-(6-fluoro-5H-imidazo[5,1-a]isoindol-5-yl)piperidin-1-yl]-5-(2-fluoro-4-pyridinyl)-1,3,4-thiadiazole;2-[4-(6-fluoro-5H-imidazo[5,1-a]isoindol-5-yl)piperidin-1-yl]pyrimidin-5-ol;2-[4-(6-fluoro-5H-imidazo[5,1-a]isoindol-5-yl)piperidin-1-yl]-1,3,4-thiadiazole;4-[5-[4-(6-fluoro-5H-imidazo[5,1-a]isoindol-5-yl)piperidin-1-yl]-1,3,4-thiadiazol-2-yl]-N-[(4-methoxyphenyl)methyl]pyridin-2-amine;6-fluoro-5-[1-(5-phenylmethoxypyrimidin-2-yl)piperidin-4-yl]-5H-imidazo[5,1-a]isoindole (PubChem CID 158294497) has the molecular formula C114H104F6N28O3S3 and a molecular weight of 2124.47 g/mol. Its IUPAC name is 2-[4-(6-fluoro-5H-imidazo[5,1-a]isoindol-5-yl)piperidin-1-yl]-5-(2-fluoro-4-pyridinyl)-1,3,4-thiadiazole;2-[4-(6-fluoro-5H-imidazo[5,1-a]isoindol-5-yl)piperidin-1-yl]pyrimidin-5-ol;2-[4-(6-fluoro-5H-imidazo[5,1-a]isoindol-5-yl)piperidin-1-yl]-1,3,4-thiadiazole;4-[5-[4-(6-fluoro-5H-imidazo[5,1-a]isoindol-5-yl)piperidin-1-yl]-1,3,4-thiadiazol-2-yl]-N-[(4-methoxyphenyl)methyl]pyridin-2-amine;6-fluoro-5-[1-(5-phenylmethoxypyrimidin-2-yl)piperidin-4-yl]-5H-imidazo[5,1-a]isoindole.

Molecular Properties

• Compound Name: 2-[4-(6-fluoro-5H-imidazo[5,1-a]isoindol-5-yl)piperidin-1-yl]-5-(2-fluoro-4-pyridinyl)-1,3,4-thiadiazole;2-[4-(6-fluoro-5H-imidazo[5,1-a]isoindol-5-yl)piperidin-1-yl]pyrimidin-5-ol;2-[4-(6-fluoro-5H-imidazo[5,1-a]isoindol-5-yl)piperidin-1-yl]-1,3,4-thiadiazole;4-[5-[4-(6-fluoro-5H-imidazo[5,1-a]isoindol-5-yl)piperidin-1-yl]-1,3,4-thiadiazol-2-yl]-N-[(4-methoxyphenyl)methyl]pyridin-2-amine;6-fluoro-5-[1-(5-phenylmethoxypyrimidin-2-yl)piperidin-4-yl]-5H-imidazo[5,1-a]isoindole
• PubChem CID: 158294497
• Molecular Formula: C114H104F6N28O3S3
• Molecular Weight: 2124.47 g/mol
• Exact Mass: 2122.79
• IUPAC Name: 2-[4-(6-fluoro-5H-imidazo[5,1-a]isoindol-5-yl)piperidin-1-yl]-5-(2-fluoro-4-pyridinyl)-1,3,4-thiadiazole;2-[4-(6-fluoro-5H-imidazo[5,1-a]isoindol-5-yl)piperidin-1-yl]pyrimidin-5-ol;2-[4-(6-fluoro-5H-imidazo[5,1-a]isoindol-5-yl)piperidin-1-yl]-1,3,4-thiadiazole;4-[5-[4-(6-fluoro-5H-imidazo[5,1-a]isoindol-5-yl)piperidin-1-yl]-1,3,4-thiadiazol-2-yl]-N-[(4-methoxyphenyl)methyl]pyridin-2-amine;6-fluoro-5-[1-(5-phenylmethoxypyrimidin-2-yl)piperidin-4-yl]-5H-imidazo[5,1-a]isoindole
• SMILES: COc1ccc(CNc2cc(-c3nnc(N4CCC(C5c6c(F)cccc6-c6cncn65)CC4)s3)ccn2)cc1.Fc1cc(-c2nnc(N3CCC(C4c5c(F)cccc5-c5cncn54)CC3)s2)ccn1.Fc1cccc2c1C(C1CCN(c3ncc(OCc4ccccc4)cn3)CC1)n1cncc1-2.Fc1cccc2c1C(C1CCN(c3nncs3)CC1)n1cncc1-2.Oc1cnc(N2CCC(C3c4c(F)cccc4-c4cncn43)CC2)nc1
• InChI: InChI=1S/C30H28FN7OS.C26H24FN5O.C22H18F2N6S.C19H18FN5O.C17H16FN5S/c1-39-22-7-5-19(6-8-22)16-34-26-15-21(9-12-33-26)29-35-36-30(40-29)37-13-10-20(11-14-37)28-27-23(3-2-4-24(27)31)25-17-32-18-38(25)28;27-22-8-4-7-21-23-15-28-17-32(23)25(24(21)22)19-9-11-31(12-10-19)26-29-13-20(14-30-26)33-16-18-5-2-1-3-6-18;23-16-3-1-2-15-17-11-25-12-30(17)20(19(15)16)13-5-8-29(9-6-13)22-28-27-21(31-22)14-4-7-26-18(24)10-14;20-15-3-1-2-14-16-10-21-11-25(16)18(17(14)15)12-4-6-24(7-5-12)19-22-8-13(26)9-23-19;18-13-3-1-2-12-14-8-19-9-23(14)16(15(12)13)11-4-6-22(7-5-11)17-21-20-10-24-17/h2-9,12,15,17-18,20,28H,10-11,13-14,16H2,1H3,(H,33,34);1-8,13-15,17,19,25H,9-12,16H2;1-4,7,10-13,20H,5-6,8-9H2;1-3,8-12,18,26H,4-7H2;1-3,8-11,16H,4-7H2
• InChIKey: GLSYYZYQZBXUJY-UHFFFAOYSA-N
• XLogP: 21.85
• TPSA: 310.70 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 34
• Rotatable Bonds: 19
• Heavy Atoms: 154
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2124.47
LogP ≤ 5	21.85
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	34

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-[4-(6-fluoro-5H-imidazo[5,1-a]isoindol-5-yl)piperidin-1-yl]-5-(2-fluoro-4-pyridinyl)-1,3,4-thiadiazole;2-[4-(6-fluoro-5H-imidazo[5,1-a]isoindol-5-yl)piperidin-1-yl]pyrimidin-5-ol;2-[4-(6-fluoro-5H-imidazo[5,1-a]isoindol-5-yl)piperidin-1-yl]-1,3,4-thiadiazole;4-[5-[4-(6-fluoro-5H-imidazo[5,1-a]isoindol-5-yl)piperidin-1-yl]-1,3,4-thiadiazol-2-yl]-N-[(4-methoxyphenyl)methyl]pyridin-2-amine;6-fluoro-5-[1-(5-phenylmethoxypyrimidin-2-yl)piperidin-4-yl]-5H-imidazo[5,1-a]isoindole?

The IUPAC name of 2-[4-(6-fluoro-5H-imidazo[5,1-a]isoindol-5-yl)piperidin-1-yl]-5-(2-fluoro-4-pyridinyl)-1,3,4-thiadiazole;2-[4-(6-fluoro-5H-imidazo[5,1-a]isoindol-5-yl)piperidin-1-yl]pyrimidin-5-ol;2-[4-(6-fluoro-5H-imidazo[5,1-a]isoindol-5-yl)piperidin-1-yl]-1,3,4-thiadiazole;4-[5-[4-(6-fluoro-5H-imidazo[5,1-a]isoindol-5-yl)piperidin-1-yl]-1,3,4-thiadiazol-2-yl]-N-[(4-methoxyphenyl)methyl]pyridin-2-amine;6-fluoro-5-[1-(5-phenylmethoxypyrimidin-2-yl)piperidin-4-yl]-5H-imidazo[5,1-a]isoindole (CID 158294497) is 2-[4-(6-fluoro-5H-imidazo[5,1-a]isoindol-5-yl)piperidin-1-yl]-5-(2-fluoro-4-pyridinyl)-1,3,4-thiadiazole;2-[4-(6-fluoro-5H-imidazo[5,1-a]isoindol-5-yl)piperidin-1-yl]pyrimidin-5-ol;2-[4-(6-fluoro-5H-imidazo[5,1-a]isoindol-5-yl)piperidin-1-yl]-1,3,4-thiadiazole;4-[5-[4-(6-fluoro-5H-imidazo[5,1-a]isoindol-5-yl)piperidin-1-yl]-1,3,4-thiadiazol-2-yl]-N-[(4-methoxyphenyl)methyl]pyridin-2-amine;6-fluoro-5-[1-(5-phenylmethoxypyrimidin-2-yl)piperidin-4-yl]-5H-imidazo[5,1-a]isoindole.

What is the SMILES notation for 2-[4-(6-fluoro-5H-imidazo[5,1-a]isoindol-5-yl)piperidin-1-yl]-5-(2-fluoro-4-pyridinyl)-1,3,4-thiadiazole;2-[4-(6-fluoro-5H-imidazo[5,1-a]isoindol-5-yl)piperidin-1-yl]pyrimidin-5-ol;2-[4-(6-fluoro-5H-imidazo[5,1-a]isoindol-5-yl)piperidin-1-yl]-1,3,4-thiadiazole;4-[5-[4-(6-fluoro-5H-imidazo[5,1-a]isoindol-5-yl)piperidin-1-yl]-1,3,4-thiadiazol-2-yl]-N-[(4-methoxyphenyl)methyl]pyridin-2-amine;6-fluoro-5-[1-(5-phenylmethoxypyrimidin-2-yl)piperidin-4-yl]-5H-imidazo[5,1-a]isoindole?

The canonical SMILES for 2-[4-(6-fluoro-5H-imidazo[5,1-a]isoindol-5-yl)piperidin-1-yl]-5-(2-fluoro-4-pyridinyl)-1,3,4-thiadiazole;2-[4-(6-fluoro-5H-imidazo[5,1-a]isoindol-5-yl)piperidin-1-yl]pyrimidin-5-ol;2-[4-(6-fluoro-5H-imidazo[5,1-a]isoindol-5-yl)piperidin-1-yl]-1,3,4-thiadiazole;4-[5-[4-(6-fluoro-5H-imidazo[5,1-a]isoindol-5-yl)piperidin-1-yl]-1,3,4-thiadiazol-2-yl]-N-[(4-methoxyphenyl)methyl]pyridin-2-amine;6-fluoro-5-[1-(5-phenylmethoxypyrimidin-2-yl)piperidin-4-yl]-5H-imidazo[5,1-a]isoindole is COc1ccc(CNc2cc(-c3nnc(N4CCC(C5c6c(F)cccc6-c6cncn65)CC4)s3)ccn2)cc1.Fc1cc(-c2nnc(N3CCC(C4c5c(F)cccc5-c5cncn54)CC3)s2)ccn1.Fc1cccc2c1C(C1CCN(c3ncc(OCc4ccccc4)cn3)CC1)n1cncc1-2.Fc1cccc2c1C(C1CCN(c3nncs3)CC1)n1cncc1-2.Oc1cnc(N2CCC(C3c4c(F)cccc4-c4cncn43)CC2)nc1.

What is the InChIKey of 2-[4-(6-fluoro-5H-imidazo[5,1-a]isoindol-5-yl)piperidin-1-yl]-5-(2-fluoro-4-pyridinyl)-1,3,4-thiadiazole;2-[4-(6-fluoro-5H-imidazo[5,1-a]isoindol-5-yl)piperidin-1-yl]pyrimidin-5-ol;2-[4-(6-fluoro-5H-imidazo[5,1-a]isoindol-5-yl)piperidin-1-yl]-1,3,4-thiadiazole;4-[5-[4-(6-fluoro-5H-imidazo[5,1-a]isoindol-5-yl)piperidin-1-yl]-1,3,4-thiadiazol-2-yl]-N-[(4-methoxyphenyl)methyl]pyridin-2-amine;6-fluoro-5-[1-(5-phenylmethoxypyrimidin-2-yl)piperidin-4-yl]-5H-imidazo[5,1-a]isoindole?

The InChIKey is GLSYYZYQZBXUJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H28FN7OS.C26H24FN5O.C22H18F2N6S.C19H18FN5O.C17H16FN5S/c1-39-22-7-5-19(6-8-22)16-34-26-15-21(9-12-33-26)29-35-36-30(40-29)37-13-10-20(11-14-37)28-27-23(3-2-4-24(27)31)25-17-32-18-38(25)28;27-22-8-4-7-21-23-15-28-17-32(23)25(24(21)22)19-9-11-31(12-10-19)26-29-13-20(14-30-26)33-16-18-5-2-1-3-6-18;23-16-3-1-2-15-17-11-25-12-30(17)20(19(15)16)13-5-8-29(9-6-13)22-28-27-21(31-22)14-4-7-26-18(24)10-14;20-15-3-1-2-14-16-10-21-11-25(16)18(17(14)15)12-4-6-24(7-5-12)19-22-8-13(26)9-23-19;18-13-3-1-2-12-14-8-19-9-23(14)16(15(12)13)11-4-6-22(7-5-11)17-21-20-10-24-17/h2-9,12,15,17-18,20,28H,10-11,13-14,16H2,1H3,(H,33,34);1-8,13-15,17,19,25H,9-12,16H2;1-4,7,10-13,20H,5-6,8-9H2;1-3,8-12,18,26H,4-7H2;1-3,8-11,16H,4-7H2.

What are the key properties of 2-[4-(6-fluoro-5H-imidazo[5,1-a]isoindol-5-yl)piperidin-1-yl]-5-(2-fluoro-4-pyridinyl)-1,3,4-thiadiazole;2-[4-(6-fluoro-5H-imidazo[5,1-a]isoindol-5-yl)piperidin-1-yl]pyrimidin-5-ol;2-[4-(6-fluoro-5H-imidazo[5,1-a]isoindol-5-yl)piperidin-1-yl]-1,3,4-thiadiazole;4-[5-[4-(6-fluoro-5H-imidazo[5,1-a]isoindol-5-yl)piperidin-1-yl]-1,3,4-thiadiazol-2-yl]-N-[(4-methoxyphenyl)methyl]pyridin-2-amine;6-fluoro-5-[1-(5-phenylmethoxypyrimidin-2-yl)piperidin-4-yl]-5H-imidazo[5,1-a]isoindole?

2-[4-(6-fluoro-5H-imidazo[5,1-a]isoindol-5-yl)piperidin-1-yl]-5-(2-fluoro-4-pyridinyl)-1,3,4-thiadiazole;2-[4-(6-fluoro-5H-imidazo[5,1-a]isoindol-5-yl)piperidin-1-yl]pyrimidin-5-ol;2-[4-(6-fluoro-5H-imidazo[5,1-a]isoindol-5-yl)piperidin-1-yl]-1,3,4-thiadiazole;4-[5-[4-(6-fluoro-5H-imidazo[5,1-a]isoindol-5-yl)piperidin-1-yl]-1,3,4-thiadiazol-2-yl]-N-[(4-methoxyphenyl)methyl]pyridin-2-amine;6-fluoro-5-[1-(5-phenylmethoxypyrimidin-2-yl)piperidin-4-yl]-5H-imidazo[5,1-a]isoindole has a molecular weight of 2124.47 g/mol, XLogP of 21.85, 19 rotatable bonds, 2 hydrogen bond donors, and 34 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[4-(6-fluoro-5H-imidazo[5,1-a]isoindol-5-yl)piperidin-1-yl]-5-(2-fluoro-4-pyridinyl)-1,3,4-thiadiazole;2-[4-(6-fluoro-5H-imidazo[5,1-a]isoindol-5-yl)piperidin-1-yl]pyrimidin-5-ol;2-[4-(6-fluoro-5H-imidazo[5,1-a]isoindol-5-yl)piperidin-1-yl]-1,3,4-thiadiazole;4-[5-[4-(6-fluoro-5H-imidazo[5,1-a]isoindol-5-yl)piperidin-1-yl]-1,3,4-thiadiazol-2-yl]-N-[(4-methoxyphenyl)methyl]pyridin-2-amine;6-fluoro-5-[1-(5-phenylmethoxypyrimidin-2-yl)piperidin-4-yl]-5H-imidazo[5,1-a]isoindole is sourced from PubChem (CID 158294497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).