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]-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;bis(4-[5-[4-(6-fluoro-5H-imidazo[5,1-a]isoindol-5-yl)piperidin-1-yl]-1,3,4-thiadiazol-2-yl]pyridin-2-amine);6-fluoro-5-piperidin-4-yl-5H-imidazo[5,1-a]isoindole;bis(2,2,2-trifluoroacetic acid)

C132H120F13N35O5S5 — CID 161187370

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]-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;bis(4-[5-[4-(6-fluoro-5H-imidazo[5,1-a]isoindol-5-yl)piperidin-1-yl]-1,3,4-thiadiazol-2-yl]pyridin-2-amine);6-fluoro-5-piperidin-4-yl-5H-imidazo[5,1-a]isoindole;bis(2,2,2-trifluoroacetic acid)

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]-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;bis(4-[5-[4-(6-fluoro-5H-imidazo[5,1-a]isoindol-5-yl)piperidin-1-yl]-1,3,4-thiadiazol-2-yl]pyridin-2-amine);6-fluoro-5-piperidin-4-yl-5H-imidazo[5,1-a]isoindole;bis(2,2,2-trifluoroacetic acid) (PubChem CID 161187370) has the molecular formula C132H120F13N35O5S5 and a molecular weight of 2683.96 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]-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;bis(4-[5-[4-(6-fluoro-5H-imidazo[5,1-a]isoindol-5-yl)piperidin-1-yl]-1,3,4-thiadiazol-2-yl]pyridin-2-amine);6-fluoro-5-piperidin-4-yl-5H-imidazo[5,1-a]isoindole;bis(2,2,2-trifluoroacetic acid).

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]-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;bis(4-[5-[4-(6-fluoro-5H-imidazo[5,1-a]isoindol-5-yl)piperidin-1-yl]-1,3,4-thiadiazol-2-yl]pyridin-2-amine);6-fluoro-5-piperidin-4-yl-5H-imidazo[5,1-a]isoindole;bis(2,2,2-trifluoroacetic acid)
• PubChem CID: 161187370
• Molecular Formula: C132H120F13N35O5S5
• Molecular Weight: 2683.96 g/mol
• Exact Mass: 2681.86
• 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]-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;bis(4-[5-[4-(6-fluoro-5H-imidazo[5,1-a]isoindol-5-yl)piperidin-1-yl]-1,3,4-thiadiazol-2-yl]pyridin-2-amine);6-fluoro-5-piperidin-4-yl-5H-imidazo[5,1-a]isoindole;bis(2,2,2-trifluoroacetic acid)
• 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(c3nncs3)CC1)n1cncc1-2.Fc1cccc2c1C(C1CCNCC1)n1cncc1-2.Nc1cc(-c2nnc(N3CCC(C4c5c(F)cccc5-c5cncn54)CC3)s2)ccn1.Nc1cc(-c2nnc(N3CCC(C4c5c(F)cccc5-c5cncn54)CC3)s2)ccn1.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F
• InChI: InChI=1S/C30H28FN7OS.C22H18F2N6S.2C22H20FN7S.C17H16FN5S.C15H16FN3.2C2HF3O2/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;3*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;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;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/h2-9,12,15,17-18,20,28H,10-11,13-14,16H2,1H3,(H,33,34);1-4,7,10-13,20H,5-6,8-9H2;2*1-4,7,10-13,20H,5-6,8-9H2,(H2,24,26);1-3,8-11,16H,4-7H2;1-3,8-10,15,17H,4-7H2;2*(H,6,7)
• InChIKey: HYRGTUTWCYSGLQ-UHFFFAOYSA-N
• XLogP: 25.83
• TPSA: 463.51 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 43
• Rotatable Bonds: 19
• Heavy Atoms: 190
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2683.96
LogP ≤ 5	25.83
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	43

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]-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;bis(4-[5-[4-(6-fluoro-5H-imidazo[5,1-a]isoindol-5-yl)piperidin-1-yl]-1,3,4-thiadiazol-2-yl]pyridin-2-amine);6-fluoro-5-piperidin-4-yl-5H-imidazo[5,1-a]isoindole;bis(2,2,2-trifluoroacetic acid)?

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]-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;bis(4-[5-[4-(6-fluoro-5H-imidazo[5,1-a]isoindol-5-yl)piperidin-1-yl]-1,3,4-thiadiazol-2-yl]pyridin-2-amine);6-fluoro-5-piperidin-4-yl-5H-imidazo[5,1-a]isoindole;bis(2,2,2-trifluoroacetic acid) (CID 161187370) 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]-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;bis(4-[5-[4-(6-fluoro-5H-imidazo[5,1-a]isoindol-5-yl)piperidin-1-yl]-1,3,4-thiadiazol-2-yl]pyridin-2-amine);6-fluoro-5-piperidin-4-yl-5H-imidazo[5,1-a]isoindole;bis(2,2,2-trifluoroacetic acid).

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]-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;bis(4-[5-[4-(6-fluoro-5H-imidazo[5,1-a]isoindol-5-yl)piperidin-1-yl]-1,3,4-thiadiazol-2-yl]pyridin-2-amine);6-fluoro-5-piperidin-4-yl-5H-imidazo[5,1-a]isoindole;bis(2,2,2-trifluoroacetic acid)?

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]-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;bis(4-[5-[4-(6-fluoro-5H-imidazo[5,1-a]isoindol-5-yl)piperidin-1-yl]-1,3,4-thiadiazol-2-yl]pyridin-2-amine);6-fluoro-5-piperidin-4-yl-5H-imidazo[5,1-a]isoindole;bis(2,2,2-trifluoroacetic acid) 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(c3nncs3)CC1)n1cncc1-2.Fc1cccc2c1C(C1CCNCC1)n1cncc1-2.Nc1cc(-c2nnc(N3CCC(C4c5c(F)cccc5-c5cncn54)CC3)s2)ccn1.Nc1cc(-c2nnc(N3CCC(C4c5c(F)cccc5-c5cncn54)CC3)s2)ccn1.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F.

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]-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;bis(4-[5-[4-(6-fluoro-5H-imidazo[5,1-a]isoindol-5-yl)piperidin-1-yl]-1,3,4-thiadiazol-2-yl]pyridin-2-amine);6-fluoro-5-piperidin-4-yl-5H-imidazo[5,1-a]isoindole;bis(2,2,2-trifluoroacetic acid)?

The InChIKey is HYRGTUTWCYSGLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H28FN7OS.C22H18F2N6S.2C22H20FN7S.C17H16FN5S.C15H16FN3.2C2HF3O2/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;3*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;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;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/h2-9,12,15,17-18,20,28H,10-11,13-14,16H2,1H3,(H,33,34);1-4,7,10-13,20H,5-6,8-9H2;2*1-4,7,10-13,20H,5-6,8-9H2,(H2,24,26);1-3,8-11,16H,4-7H2;1-3,8-10,15,17H,4-7H2;2*(H,6,7).

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]-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;bis(4-[5-[4-(6-fluoro-5H-imidazo[5,1-a]isoindol-5-yl)piperidin-1-yl]-1,3,4-thiadiazol-2-yl]pyridin-2-amine);6-fluoro-5-piperidin-4-yl-5H-imidazo[5,1-a]isoindole;bis(2,2,2-trifluoroacetic acid)?

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]-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;bis(4-[5-[4-(6-fluoro-5H-imidazo[5,1-a]isoindol-5-yl)piperidin-1-yl]-1,3,4-thiadiazol-2-yl]pyridin-2-amine);6-fluoro-5-piperidin-4-yl-5H-imidazo[5,1-a]isoindole;bis(2,2,2-trifluoroacetic acid) has a molecular weight of 2683.96 g/mol, XLogP of 25.83, 19 rotatable bonds, 6 hydrogen bond donors, and 43 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]-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;bis(4-[5-[4-(6-fluoro-5H-imidazo[5,1-a]isoindol-5-yl)piperidin-1-yl]-1,3,4-thiadiazol-2-yl]pyridin-2-amine);6-fluoro-5-piperidin-4-yl-5H-imidazo[5,1-a]isoindole;bis(2,2,2-trifluoroacetic acid) is sourced from PubChem (CID 161187370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).