3-[4-[5-amino-6-[5-[4-[(2-fluoroethylamino)methyl]phenyl]-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]phenyl]sulfonylbutan-1-ol;3-[4-[5-amino-6-[5-[2-fluoro-4-[(1-fluoropropan-2-ylamino)methyl]phenyl]-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]phenyl]sulfonylbutan-1-ol;3-[4-[5-amino-6-[5-[4-[(1-fluoropropan-2-ylamino)methyl]phenyl]-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]phenyl]sulfonylbutan-1-ol;3-[4-[5-amino-6-[5-[4-[(2-fluoropropylamino)methyl]phenyl]-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]phenyl]sulfonylbutan-1-ol

C103H113F5N24O16S4 — CID 157186538

About 3-[4-[5-amino-6-[5-[4-[(2-fluoroethylamino)methyl]phenyl]-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]phenyl]sulfonylbutan-1-ol;3-[4-[5-amino-6-[5-[2-fluoro-4-[(1-fluoropropan-2-ylamino)methyl]phenyl]-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]phenyl]sulfonylbutan-1-ol;3-[4-[5-amino-6-[5-[4-[(1-fluoropropan-2-ylamino)methyl]phenyl]-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]phenyl]sulfonylbutan-1-ol;3-[4-[5-amino-6-[5-[4-[(2-fluoropropylamino)methyl]phenyl]-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]phenyl]sulfonylbutan-1-ol

3-[4-[5-amino-6-[5-[4-[(2-fluoroethylamino)methyl]phenyl]-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]phenyl]sulfonylbutan-1-ol;3-[4-[5-amino-6-[5-[2-fluoro-4-[(1-fluoropropan-2-ylamino)methyl]phenyl]-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]phenyl]sulfonylbutan-1-ol;3-[4-[5-amino-6-[5-[4-[(1-fluoropropan-2-ylamino)methyl]phenyl]-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]phenyl]sulfonylbutan-1-ol;3-[4-[5-amino-6-[5-[4-[(2-fluoropropylamino)methyl]phenyl]-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]phenyl]sulfonylbutan-1-ol (PubChem CID 157186538) has the molecular formula C103H113F5N24O16S4 and a molecular weight of 2166.45 g/mol. Its IUPAC name is 3-[4-[5-amino-6-[5-[4-[(2-fluoroethylamino)methyl]phenyl]-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]phenyl]sulfonylbutan-1-ol;3-[4-[5-amino-6-[5-[2-fluoro-4-[(1-fluoropropan-2-ylamino)methyl]phenyl]-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]phenyl]sulfonylbutan-1-ol;3-[4-[5-amino-6-[5-[4-[(1-fluoropropan-2-ylamino)methyl]phenyl]-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]phenyl]sulfonylbutan-1-ol;3-[4-[5-amino-6-[5-[4-[(2-fluoropropylamino)methyl]phenyl]-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]phenyl]sulfonylbutan-1-ol.

Molecular Properties

• Compound Name: 3-[4-[5-amino-6-[5-[4-[(2-fluoroethylamino)methyl]phenyl]-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]phenyl]sulfonylbutan-1-ol;3-[4-[5-amino-6-[5-[2-fluoro-4-[(1-fluoropropan-2-ylamino)methyl]phenyl]-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]phenyl]sulfonylbutan-1-ol;3-[4-[5-amino-6-[5-[4-[(1-fluoropropan-2-ylamino)methyl]phenyl]-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]phenyl]sulfonylbutan-1-ol;3-[4-[5-amino-6-[5-[4-[(2-fluoropropylamino)methyl]phenyl]-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]phenyl]sulfonylbutan-1-ol
• PubChem CID: 157186538
• Molecular Formula: C103H113F5N24O16S4
• Molecular Weight: 2166.45 g/mol
• Exact Mass: 2164.76
• IUPAC Name: 3-[4-[5-amino-6-[5-[4-[(2-fluoroethylamino)methyl]phenyl]-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]phenyl]sulfonylbutan-1-ol;3-[4-[5-amino-6-[5-[2-fluoro-4-[(1-fluoropropan-2-ylamino)methyl]phenyl]-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]phenyl]sulfonylbutan-1-ol;3-[4-[5-amino-6-[5-[4-[(1-fluoropropan-2-ylamino)methyl]phenyl]-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]phenyl]sulfonylbutan-1-ol;3-[4-[5-amino-6-[5-[4-[(2-fluoropropylamino)methyl]phenyl]-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]phenyl]sulfonylbutan-1-ol
• SMILES: CC(CCO)S(=O)(=O)c1ccc(-c2cnc(N)c(-c3nnc(-c4ccc(CNCCF)cc4)o3)n2)cc1.CC(CF)NCc1ccc(-c2nnc(-c3nc(-c4ccc(S(=O)(=O)C(C)CCO)cc4)cnc3N)o2)c(F)c1.CC(CF)NCc1ccc(-c2nnc(-c3nc(-c4ccc(S(=O)(=O)C(C)CCO)cc4)cnc3N)o2)cc1.CC(F)CNCc1ccc(-c2nnc(-c3nc(-c4ccc(S(=O)(=O)C(C)CCO)cc4)cnc3N)o2)cc1
• InChI: InChI=1S/C26H28F2N6O4S.2C26H29FN6O4S.C25H27FN6O4S/c1-15(12-27)30-13-17-3-8-20(21(28)11-17)25-33-34-26(38-25)23-24(29)31-14-22(32-23)18-4-6-19(7-5-18)39(36,37)16(2)9-10-35;1-16(27)13-29-14-18-3-5-20(6-4-18)25-32-33-26(37-25)23-24(28)30-15-22(31-23)19-7-9-21(10-8-19)38(35,36)17(2)11-12-34;1-16(13-27)29-14-18-3-5-20(6-4-18)25-32-33-26(37-25)23-24(28)30-15-22(31-23)19-7-9-21(10-8-19)38(35,36)17(2)11-12-34;1-16(10-13-33)37(34,35)20-8-6-18(7-9-20)21-15-29-23(27)22(30-21)25-32-31-24(36-25)19-4-2-17(3-5-19)14-28-12-11-26/h3-8,11,14-16,30,35H,9-10,12-13H2,1-2H3,(H2,29,31);2*3-10,15-17,29,34H,11-14H2,1-2H3,(H2,28,30);2-9,15-16,28,33H,10-14H2,1H3,(H2,27,29)
• InChIKey: APENIJYWBIGQOX-UHFFFAOYSA-N
• XLogP: 13.49
• TPSA: 628.48 Ų
• H-Bond Donors: 12
• H-Bond Acceptors: 40
• Rotatable Bonds: 44
• Heavy Atoms: 152
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2166.45
LogP ≤ 5	13.49
H-Bond Donors ≤ 5	12
H-Bond Acceptors ≤ 10	40

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 3-[4-[5-amino-6-[5-[4-[(2-fluoroethylamino)methyl]phenyl]-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]phenyl]sulfonylbutan-1-ol;3-[4-[5-amino-6-[5-[2-fluoro-4-[(1-fluoropropan-2-ylamino)methyl]phenyl]-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]phenyl]sulfonylbutan-1-ol;3-[4-[5-amino-6-[5-[4-[(1-fluoropropan-2-ylamino)methyl]phenyl]-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]phenyl]sulfonylbutan-1-ol;3-[4-[5-amino-6-[5-[4-[(2-fluoropropylamino)methyl]phenyl]-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]phenyl]sulfonylbutan-1-ol?

The IUPAC name of 3-[4-[5-amino-6-[5-[4-[(2-fluoroethylamino)methyl]phenyl]-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]phenyl]sulfonylbutan-1-ol;3-[4-[5-amino-6-[5-[2-fluoro-4-[(1-fluoropropan-2-ylamino)methyl]phenyl]-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]phenyl]sulfonylbutan-1-ol;3-[4-[5-amino-6-[5-[4-[(1-fluoropropan-2-ylamino)methyl]phenyl]-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]phenyl]sulfonylbutan-1-ol;3-[4-[5-amino-6-[5-[4-[(2-fluoropropylamino)methyl]phenyl]-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]phenyl]sulfonylbutan-1-ol (CID 157186538) is 3-[4-[5-amino-6-[5-[4-[(2-fluoroethylamino)methyl]phenyl]-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]phenyl]sulfonylbutan-1-ol;3-[4-[5-amino-6-[5-[2-fluoro-4-[(1-fluoropropan-2-ylamino)methyl]phenyl]-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]phenyl]sulfonylbutan-1-ol;3-[4-[5-amino-6-[5-[4-[(1-fluoropropan-2-ylamino)methyl]phenyl]-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]phenyl]sulfonylbutan-1-ol;3-[4-[5-amino-6-[5-[4-[(2-fluoropropylamino)methyl]phenyl]-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]phenyl]sulfonylbutan-1-ol.

What is the SMILES notation for 3-[4-[5-amino-6-[5-[4-[(2-fluoroethylamino)methyl]phenyl]-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]phenyl]sulfonylbutan-1-ol;3-[4-[5-amino-6-[5-[2-fluoro-4-[(1-fluoropropan-2-ylamino)methyl]phenyl]-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]phenyl]sulfonylbutan-1-ol;3-[4-[5-amino-6-[5-[4-[(1-fluoropropan-2-ylamino)methyl]phenyl]-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]phenyl]sulfonylbutan-1-ol;3-[4-[5-amino-6-[5-[4-[(2-fluoropropylamino)methyl]phenyl]-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]phenyl]sulfonylbutan-1-ol?

The canonical SMILES for 3-[4-[5-amino-6-[5-[4-[(2-fluoroethylamino)methyl]phenyl]-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]phenyl]sulfonylbutan-1-ol;3-[4-[5-amino-6-[5-[2-fluoro-4-[(1-fluoropropan-2-ylamino)methyl]phenyl]-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]phenyl]sulfonylbutan-1-ol;3-[4-[5-amino-6-[5-[4-[(1-fluoropropan-2-ylamino)methyl]phenyl]-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]phenyl]sulfonylbutan-1-ol;3-[4-[5-amino-6-[5-[4-[(2-fluoropropylamino)methyl]phenyl]-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]phenyl]sulfonylbutan-1-ol is CC(CCO)S(=O)(=O)c1ccc(-c2cnc(N)c(-c3nnc(-c4ccc(CNCCF)cc4)o3)n2)cc1.CC(CF)NCc1ccc(-c2nnc(-c3nc(-c4ccc(S(=O)(=O)C(C)CCO)cc4)cnc3N)o2)c(F)c1.CC(CF)NCc1ccc(-c2nnc(-c3nc(-c4ccc(S(=O)(=O)C(C)CCO)cc4)cnc3N)o2)cc1.CC(F)CNCc1ccc(-c2nnc(-c3nc(-c4ccc(S(=O)(=O)C(C)CCO)cc4)cnc3N)o2)cc1.

What is the InChIKey of 3-[4-[5-amino-6-[5-[4-[(2-fluoroethylamino)methyl]phenyl]-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]phenyl]sulfonylbutan-1-ol;3-[4-[5-amino-6-[5-[2-fluoro-4-[(1-fluoropropan-2-ylamino)methyl]phenyl]-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]phenyl]sulfonylbutan-1-ol;3-[4-[5-amino-6-[5-[4-[(1-fluoropropan-2-ylamino)methyl]phenyl]-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]phenyl]sulfonylbutan-1-ol;3-[4-[5-amino-6-[5-[4-[(2-fluoropropylamino)methyl]phenyl]-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]phenyl]sulfonylbutan-1-ol?

The InChIKey is APENIJYWBIGQOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28F2N6O4S.2C26H29FN6O4S.C25H27FN6O4S/c1-15(12-27)30-13-17-3-8-20(21(28)11-17)25-33-34-26(38-25)23-24(29)31-14-22(32-23)18-4-6-19(7-5-18)39(36,37)16(2)9-10-35;1-16(27)13-29-14-18-3-5-20(6-4-18)25-32-33-26(37-25)23-24(28)30-15-22(31-23)19-7-9-21(10-8-19)38(35,36)17(2)11-12-34;1-16(13-27)29-14-18-3-5-20(6-4-18)25-32-33-26(37-25)23-24(28)30-15-22(31-23)19-7-9-21(10-8-19)38(35,36)17(2)11-12-34;1-16(10-13-33)37(34,35)20-8-6-18(7-9-20)21-15-29-23(27)22(30-21)25-32-31-24(36-25)19-4-2-17(3-5-19)14-28-12-11-26/h3-8,11,14-16,30,35H,9-10,12-13H2,1-2H3,(H2,29,31);2*3-10,15-17,29,34H,11-14H2,1-2H3,(H2,28,30);2-9,15-16,28,33H,10-14H2,1H3,(H2,27,29).

What are the key properties of 3-[4-[5-amino-6-[5-[4-[(2-fluoroethylamino)methyl]phenyl]-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]phenyl]sulfonylbutan-1-ol;3-[4-[5-amino-6-[5-[2-fluoro-4-[(1-fluoropropan-2-ylamino)methyl]phenyl]-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]phenyl]sulfonylbutan-1-ol;3-[4-[5-amino-6-[5-[4-[(1-fluoropropan-2-ylamino)methyl]phenyl]-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]phenyl]sulfonylbutan-1-ol;3-[4-[5-amino-6-[5-[4-[(2-fluoropropylamino)methyl]phenyl]-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]phenyl]sulfonylbutan-1-ol?

3-[4-[5-amino-6-[5-[4-[(2-fluoroethylamino)methyl]phenyl]-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]phenyl]sulfonylbutan-1-ol;3-[4-[5-amino-6-[5-[2-fluoro-4-[(1-fluoropropan-2-ylamino)methyl]phenyl]-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]phenyl]sulfonylbutan-1-ol;3-[4-[5-amino-6-[5-[4-[(1-fluoropropan-2-ylamino)methyl]phenyl]-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]phenyl]sulfonylbutan-1-ol;3-[4-[5-amino-6-[5-[4-[(2-fluoropropylamino)methyl]phenyl]-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]phenyl]sulfonylbutan-1-ol has a molecular weight of 2166.45 g/mol, XLogP of 13.49, 44 rotatable bonds, 12 hydrogen bond donors, and 40 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[4-[5-amino-6-[5-[4-[(2-fluoroethylamino)methyl]phenyl]-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]phenyl]sulfonylbutan-1-ol;3-[4-[5-amino-6-[5-[2-fluoro-4-[(1-fluoropropan-2-ylamino)methyl]phenyl]-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]phenyl]sulfonylbutan-1-ol;3-[4-[5-amino-6-[5-[4-[(1-fluoropropan-2-ylamino)methyl]phenyl]-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]phenyl]sulfonylbutan-1-ol;3-[4-[5-amino-6-[5-[4-[(2-fluoropropylamino)methyl]phenyl]-1,3,4-oxadiazol-2-yl]pyrazin-2-yl]phenyl]sulfonylbutan-1-ol is sourced from PubChem (CID 157186538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).