3-[5-[2-fluoro-4-[[[(3R)-oxolan-3-yl]amino]methyl]phenyl]-1,3,4-oxadiazol-2-yl]-5-(4-propan-2-ylsulfonylphenyl)pyrazin-2-amine;3-[5-[4-[[[(2R)-2-fluoropropyl]amino]methyl]phenyl]-1,3,4-oxadiazol-2-yl]-5-(4-propan-2-ylsulfonylphenyl)pyrazin-2-amine;3-[5-[4-[[[(3R)-oxolan-3-yl]amino]methyl]phenyl]-1,3,4-oxadiazol-2-yl]-5-(4-propan-2-ylsulfonylphenyl)pyrazin-2-amine;3-[5-[4-[[[(3S)-oxolan-3-yl]amino]methyl]phenyl]-1,3,4-oxadiazol-2-yl]-5-(4-propan-2-ylsulfonylphenyl)pyrazin-2-amine

C103H110F2N24O15S4 — CID 159035650

About 3-[5-[2-fluoro-4-[[[(3R)-oxolan-3-yl]amino]methyl]phenyl]-1,3,4-oxadiazol-2-yl]-5-(4-propan-2-ylsulfonylphenyl)pyrazin-2-amine;3-[5-[4-[[[(2R)-2-fluoropropyl]amino]methyl]phenyl]-1,3,4-oxadiazol-2-yl]-5-(4-propan-2-ylsulfonylphenyl)pyrazin-2-amine;3-[5-[4-[[[(3R)-oxolan-3-yl]amino]methyl]phenyl]-1,3,4-oxadiazol-2-yl]-5-(4-propan-2-ylsulfonylphenyl)pyrazin-2-amine;3-[5-[4-[[[(3S)-oxolan-3-yl]amino]methyl]phenyl]-1,3,4-oxadiazol-2-yl]-5-(4-propan-2-ylsulfonylphenyl)pyrazin-2-amine

3-[5-[2-fluoro-4-[[[(3R)-oxolan-3-yl]amino]methyl]phenyl]-1,3,4-oxadiazol-2-yl]-5-(4-propan-2-ylsulfonylphenyl)pyrazin-2-amine;3-[5-[4-[[[(2R)-2-fluoropropyl]amino]methyl]phenyl]-1,3,4-oxadiazol-2-yl]-5-(4-propan-2-ylsulfonylphenyl)pyrazin-2-amine;3-[5-[4-[[[(3R)-oxolan-3-yl]amino]methyl]phenyl]-1,3,4-oxadiazol-2-yl]-5-(4-propan-2-ylsulfonylphenyl)pyrazin-2-amine;3-[5-[4-[[[(3S)-oxolan-3-yl]amino]methyl]phenyl]-1,3,4-oxadiazol-2-yl]-5-(4-propan-2-ylsulfonylphenyl)pyrazin-2-amine (PubChem CID 159035650) has the molecular formula C103H110F2N24O15S4 and a molecular weight of 2090.43 g/mol. Its IUPAC name is 3-[5-[2-fluoro-4-[[[(3R)-oxolan-3-yl]amino]methyl]phenyl]-1,3,4-oxadiazol-2-yl]-5-(4-propan-2-ylsulfonylphenyl)pyrazin-2-amine;3-[5-[4-[[[(2R)-2-fluoropropyl]amino]methyl]phenyl]-1,3,4-oxadiazol-2-yl]-5-(4-propan-2-ylsulfonylphenyl)pyrazin-2-amine;3-[5-[4-[[[(3R)-oxolan-3-yl]amino]methyl]phenyl]-1,3,4-oxadiazol-2-yl]-5-(4-propan-2-ylsulfonylphenyl)pyrazin-2-amine;3-[5-[4-[[[(3S)-oxolan-3-yl]amino]methyl]phenyl]-1,3,4-oxadiazol-2-yl]-5-(4-propan-2-ylsulfonylphenyl)pyrazin-2-amine.

Molecular Properties

• Compound Name: 3-[5-[2-fluoro-4-[[[(3R)-oxolan-3-yl]amino]methyl]phenyl]-1,3,4-oxadiazol-2-yl]-5-(4-propan-2-ylsulfonylphenyl)pyrazin-2-amine;3-[5-[4-[[[(2R)-2-fluoropropyl]amino]methyl]phenyl]-1,3,4-oxadiazol-2-yl]-5-(4-propan-2-ylsulfonylphenyl)pyrazin-2-amine;3-[5-[4-[[[(3R)-oxolan-3-yl]amino]methyl]phenyl]-1,3,4-oxadiazol-2-yl]-5-(4-propan-2-ylsulfonylphenyl)pyrazin-2-amine;3-[5-[4-[[[(3S)-oxolan-3-yl]amino]methyl]phenyl]-1,3,4-oxadiazol-2-yl]-5-(4-propan-2-ylsulfonylphenyl)pyrazin-2-amine
• PubChem CID: 159035650
• Molecular Formula: C103H110F2N24O15S4
• Molecular Weight: 2090.43 g/mol
• Exact Mass: 2088.74
• IUPAC Name: 3-[5-[2-fluoro-4-[[[(3R)-oxolan-3-yl]amino]methyl]phenyl]-1,3,4-oxadiazol-2-yl]-5-(4-propan-2-ylsulfonylphenyl)pyrazin-2-amine;3-[5-[4-[[[(2R)-2-fluoropropyl]amino]methyl]phenyl]-1,3,4-oxadiazol-2-yl]-5-(4-propan-2-ylsulfonylphenyl)pyrazin-2-amine;3-[5-[4-[[[(3R)-oxolan-3-yl]amino]methyl]phenyl]-1,3,4-oxadiazol-2-yl]-5-(4-propan-2-ylsulfonylphenyl)pyrazin-2-amine;3-[5-[4-[[[(3S)-oxolan-3-yl]amino]methyl]phenyl]-1,3,4-oxadiazol-2-yl]-5-(4-propan-2-ylsulfonylphenyl)pyrazin-2-amine
• SMILES: CC(C)S(=O)(=O)c1ccc(-c2cnc(N)c(-c3nnc(-c4ccc(CNC[C@@H](C)F)cc4)o3)n2)cc1.CC(C)S(=O)(=O)c1ccc(-c2cnc(N)c(-c3nnc(-c4ccc(CN[C@@H]5CCOC5)cc4)o3)n2)cc1.CC(C)S(=O)(=O)c1ccc(-c2cnc(N)c(-c3nnc(-c4ccc(CN[C@@H]5CCOC5)cc4F)o3)n2)cc1.CC(C)S(=O)(=O)c1ccc(-c2cnc(N)c(-c3nnc(-c4ccc(CN[C@H]5CCOC5)cc4)o3)n2)cc1
• InChI: InChI=1S/C26H27FN6O4S.2C26H28N6O4S.C25H27FN6O3S/c1-15(2)38(34,35)19-6-4-17(5-7-19)22-13-30-24(28)23(31-22)26-33-32-25(37-26)20-8-3-16(11-21(20)27)12-29-18-9-10-36-14-18;2*1-16(2)37(33,34)21-9-7-18(8-10-21)22-14-29-24(27)23(30-22)26-32-31-25(36-26)19-5-3-17(4-6-19)13-28-20-11-12-35-15-20;1-15(2)36(33,34)20-10-8-18(9-11-20)21-14-29-23(27)22(30-21)25-32-31-24(35-25)19-6-4-17(5-7-19)13-28-12-16(3)26/h3-8,11,13,15,18,29H,9-10,12,14H2,1-2H3,(H2,28,30);2*3-10,14,16,20,28H,11-13,15H2,1-2H3,(H2,27,29);4-11,14-16,28H,12-13H2,1-3H3,(H2,27,29)/t18-;2*20-;16-/m1101/s1
• InChIKey: JVKUDLPDIOHWTD-JRXRMBFQSA-N
• XLogP: 14.72
• TPSA: 575.25 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 39
• Rotatable Bonds: 33
• Heavy Atoms: 148
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2090.43
LogP ≤ 5	14.72
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	39

Frequently Asked Questions

What is the IUPAC name of 3-[5-[2-fluoro-4-[[[(3R)-oxolan-3-yl]amino]methyl]phenyl]-1,3,4-oxadiazol-2-yl]-5-(4-propan-2-ylsulfonylphenyl)pyrazin-2-amine;3-[5-[4-[[[(2R)-2-fluoropropyl]amino]methyl]phenyl]-1,3,4-oxadiazol-2-yl]-5-(4-propan-2-ylsulfonylphenyl)pyrazin-2-amine;3-[5-[4-[[[(3R)-oxolan-3-yl]amino]methyl]phenyl]-1,3,4-oxadiazol-2-yl]-5-(4-propan-2-ylsulfonylphenyl)pyrazin-2-amine;3-[5-[4-[[[(3S)-oxolan-3-yl]amino]methyl]phenyl]-1,3,4-oxadiazol-2-yl]-5-(4-propan-2-ylsulfonylphenyl)pyrazin-2-amine?

The IUPAC name of 3-[5-[2-fluoro-4-[[[(3R)-oxolan-3-yl]amino]methyl]phenyl]-1,3,4-oxadiazol-2-yl]-5-(4-propan-2-ylsulfonylphenyl)pyrazin-2-amine;3-[5-[4-[[[(2R)-2-fluoropropyl]amino]methyl]phenyl]-1,3,4-oxadiazol-2-yl]-5-(4-propan-2-ylsulfonylphenyl)pyrazin-2-amine;3-[5-[4-[[[(3R)-oxolan-3-yl]amino]methyl]phenyl]-1,3,4-oxadiazol-2-yl]-5-(4-propan-2-ylsulfonylphenyl)pyrazin-2-amine;3-[5-[4-[[[(3S)-oxolan-3-yl]amino]methyl]phenyl]-1,3,4-oxadiazol-2-yl]-5-(4-propan-2-ylsulfonylphenyl)pyrazin-2-amine (CID 159035650) is 3-[5-[2-fluoro-4-[[[(3R)-oxolan-3-yl]amino]methyl]phenyl]-1,3,4-oxadiazol-2-yl]-5-(4-propan-2-ylsulfonylphenyl)pyrazin-2-amine;3-[5-[4-[[[(2R)-2-fluoropropyl]amino]methyl]phenyl]-1,3,4-oxadiazol-2-yl]-5-(4-propan-2-ylsulfonylphenyl)pyrazin-2-amine;3-[5-[4-[[[(3R)-oxolan-3-yl]amino]methyl]phenyl]-1,3,4-oxadiazol-2-yl]-5-(4-propan-2-ylsulfonylphenyl)pyrazin-2-amine;3-[5-[4-[[[(3S)-oxolan-3-yl]amino]methyl]phenyl]-1,3,4-oxadiazol-2-yl]-5-(4-propan-2-ylsulfonylphenyl)pyrazin-2-amine.

What is the SMILES notation for 3-[5-[2-fluoro-4-[[[(3R)-oxolan-3-yl]amino]methyl]phenyl]-1,3,4-oxadiazol-2-yl]-5-(4-propan-2-ylsulfonylphenyl)pyrazin-2-amine;3-[5-[4-[[[(2R)-2-fluoropropyl]amino]methyl]phenyl]-1,3,4-oxadiazol-2-yl]-5-(4-propan-2-ylsulfonylphenyl)pyrazin-2-amine;3-[5-[4-[[[(3R)-oxolan-3-yl]amino]methyl]phenyl]-1,3,4-oxadiazol-2-yl]-5-(4-propan-2-ylsulfonylphenyl)pyrazin-2-amine;3-[5-[4-[[[(3S)-oxolan-3-yl]amino]methyl]phenyl]-1,3,4-oxadiazol-2-yl]-5-(4-propan-2-ylsulfonylphenyl)pyrazin-2-amine?

The canonical SMILES for 3-[5-[2-fluoro-4-[[[(3R)-oxolan-3-yl]amino]methyl]phenyl]-1,3,4-oxadiazol-2-yl]-5-(4-propan-2-ylsulfonylphenyl)pyrazin-2-amine;3-[5-[4-[[[(2R)-2-fluoropropyl]amino]methyl]phenyl]-1,3,4-oxadiazol-2-yl]-5-(4-propan-2-ylsulfonylphenyl)pyrazin-2-amine;3-[5-[4-[[[(3R)-oxolan-3-yl]amino]methyl]phenyl]-1,3,4-oxadiazol-2-yl]-5-(4-propan-2-ylsulfonylphenyl)pyrazin-2-amine;3-[5-[4-[[[(3S)-oxolan-3-yl]amino]methyl]phenyl]-1,3,4-oxadiazol-2-yl]-5-(4-propan-2-ylsulfonylphenyl)pyrazin-2-amine is CC(C)S(=O)(=O)c1ccc(-c2cnc(N)c(-c3nnc(-c4ccc(CNC[C@@H](C)F)cc4)o3)n2)cc1.CC(C)S(=O)(=O)c1ccc(-c2cnc(N)c(-c3nnc(-c4ccc(CN[C@@H]5CCOC5)cc4)o3)n2)cc1.CC(C)S(=O)(=O)c1ccc(-c2cnc(N)c(-c3nnc(-c4ccc(CN[C@@H]5CCOC5)cc4F)o3)n2)cc1.CC(C)S(=O)(=O)c1ccc(-c2cnc(N)c(-c3nnc(-c4ccc(CN[C@H]5CCOC5)cc4)o3)n2)cc1.

What is the InChIKey of 3-[5-[2-fluoro-4-[[[(3R)-oxolan-3-yl]amino]methyl]phenyl]-1,3,4-oxadiazol-2-yl]-5-(4-propan-2-ylsulfonylphenyl)pyrazin-2-amine;3-[5-[4-[[[(2R)-2-fluoropropyl]amino]methyl]phenyl]-1,3,4-oxadiazol-2-yl]-5-(4-propan-2-ylsulfonylphenyl)pyrazin-2-amine;3-[5-[4-[[[(3R)-oxolan-3-yl]amino]methyl]phenyl]-1,3,4-oxadiazol-2-yl]-5-(4-propan-2-ylsulfonylphenyl)pyrazin-2-amine;3-[5-[4-[[[(3S)-oxolan-3-yl]amino]methyl]phenyl]-1,3,4-oxadiazol-2-yl]-5-(4-propan-2-ylsulfonylphenyl)pyrazin-2-amine?

The InChIKey is JVKUDLPDIOHWTD-JRXRMBFQSA-N. The full InChI is InChI=1S/C26H27FN6O4S.2C26H28N6O4S.C25H27FN6O3S/c1-15(2)38(34,35)19-6-4-17(5-7-19)22-13-30-24(28)23(31-22)26-33-32-25(37-26)20-8-3-16(11-21(20)27)12-29-18-9-10-36-14-18;2*1-16(2)37(33,34)21-9-7-18(8-10-21)22-14-29-24(27)23(30-22)26-32-31-25(36-26)19-5-3-17(4-6-19)13-28-20-11-12-35-15-20;1-15(2)36(33,34)20-10-8-18(9-11-20)21-14-29-23(27)22(30-21)25-32-31-24(35-25)19-6-4-17(5-7-19)13-28-12-16(3)26/h3-8,11,13,15,18,29H,9-10,12,14H2,1-2H3,(H2,28,30);2*3-10,14,16,20,28H,11-13,15H2,1-2H3,(H2,27,29);4-11,14-16,28H,12-13H2,1-3H3,(H2,27,29)/t18-;2*20-;16-/m1101/s1.

What are the key properties of 3-[5-[2-fluoro-4-[[[(3R)-oxolan-3-yl]amino]methyl]phenyl]-1,3,4-oxadiazol-2-yl]-5-(4-propan-2-ylsulfonylphenyl)pyrazin-2-amine;3-[5-[4-[[[(2R)-2-fluoropropyl]amino]methyl]phenyl]-1,3,4-oxadiazol-2-yl]-5-(4-propan-2-ylsulfonylphenyl)pyrazin-2-amine;3-[5-[4-[[[(3R)-oxolan-3-yl]amino]methyl]phenyl]-1,3,4-oxadiazol-2-yl]-5-(4-propan-2-ylsulfonylphenyl)pyrazin-2-amine;3-[5-[4-[[[(3S)-oxolan-3-yl]amino]methyl]phenyl]-1,3,4-oxadiazol-2-yl]-5-(4-propan-2-ylsulfonylphenyl)pyrazin-2-amine?

3-[5-[2-fluoro-4-[[[(3R)-oxolan-3-yl]amino]methyl]phenyl]-1,3,4-oxadiazol-2-yl]-5-(4-propan-2-ylsulfonylphenyl)pyrazin-2-amine;3-[5-[4-[[[(2R)-2-fluoropropyl]amino]methyl]phenyl]-1,3,4-oxadiazol-2-yl]-5-(4-propan-2-ylsulfonylphenyl)pyrazin-2-amine;3-[5-[4-[[[(3R)-oxolan-3-yl]amino]methyl]phenyl]-1,3,4-oxadiazol-2-yl]-5-(4-propan-2-ylsulfonylphenyl)pyrazin-2-amine;3-[5-[4-[[[(3S)-oxolan-3-yl]amino]methyl]phenyl]-1,3,4-oxadiazol-2-yl]-5-(4-propan-2-ylsulfonylphenyl)pyrazin-2-amine has a molecular weight of 2090.43 g/mol, XLogP of 14.72, 33 rotatable bonds, 8 hydrogen bond donors, and 39 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[5-[2-fluoro-4-[[[(3R)-oxolan-3-yl]amino]methyl]phenyl]-1,3,4-oxadiazol-2-yl]-5-(4-propan-2-ylsulfonylphenyl)pyrazin-2-amine;3-[5-[4-[[[(2R)-2-fluoropropyl]amino]methyl]phenyl]-1,3,4-oxadiazol-2-yl]-5-(4-propan-2-ylsulfonylphenyl)pyrazin-2-amine;3-[5-[4-[[[(3R)-oxolan-3-yl]amino]methyl]phenyl]-1,3,4-oxadiazol-2-yl]-5-(4-propan-2-ylsulfonylphenyl)pyrazin-2-amine;3-[5-[4-[[[(3S)-oxolan-3-yl]amino]methyl]phenyl]-1,3,4-oxadiazol-2-yl]-5-(4-propan-2-ylsulfonylphenyl)pyrazin-2-amine is sourced from PubChem (CID 159035650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).