2-[3-[(1S,2R,5R)-4-amino-2,5-dimethyl-8-methylidene-8-oxo-8λ6-thia-3-azabicyclo[3.2.1]oct-3-en-2-yl]-4-fluorophenyl]-1-(5-but-2-ynoxypyrazin-2-yl)ethanone;2-[3-[(1S,2R,5R)-4-amino-2,5-dimethyl-8-methylidene-8-oxo-8λ6-thia-3-azabicyclo[3.2.1]oct-3-en-2-yl]-4-fluorophenyl]-1-(5-methoxy-3-methylpyrazin-2-yl)ethanone;2-[3-[(1S,2R,5R)-4-amino-5-(fluoromethyl)-2-methyl-8-methylidene-8-oxo-8λ6-thia-3-azabicyclo[3.2.1]oct-3-en-2-yl]-4-fluorophenyl]-1-(5-chloro-2-pyridinyl)ethanone;2-[3-[(1S,2R,5R)-4-amino-5-(fluoromethyl)-2-methyl-8-methylidene-8-oxo-8λ6-thia-3-azabicyclo[3.2.1]oct-3-en-2-yl]-4-fluorophenyl]-1-(5-methoxy-3-methylpyrazin-2-yl)ethanone;(1R,4R,5S)-4-[2-fluoro-5-[(2-methoxypyrido[3,4-b]pyrazin-5-yl)methyl]phenyl]-1,4-dimethyl-8-methylidene-8-oxo-8λ6-thia-3-azabicyclo[3.2.1]oct-2-en-2-amine

C117H128ClF7N20O13S5 — CID 157309777

About 2-[3-[(1S,2R,5R)-4-amino-2,5-dimethyl-8-methylidene-8-oxo-8λ6-thia-3-azabicyclo[3.2.1]oct-3-en-2-yl]-4-fluorophenyl]-1-(5-but-2-ynoxypyrazin-2-yl)ethanone;2-[3-[(1S,2R,5R)-4-amino-2,5-dimethyl-8-methylidene-8-oxo-8λ6-thia-3-azabicyclo[3.2.1]oct-3-en-2-yl]-4-fluorophenyl]-1-(5-methoxy-3-methylpyrazin-2-yl)ethanone;2-[3-[(1S,2R,5R)-4-amino-5-(fluoromethyl)-2-methyl-8-methylidene-8-oxo-8λ6-thia-3-azabicyclo[3.2.1]oct-3-en-2-yl]-4-fluorophenyl]-1-(5-chloro-2-pyridinyl)ethanone;2-[3-[(1S,2R,5R)-4-amino-5-(fluoromethyl)-2-methyl-8-methylidene-8-oxo-8λ6-thia-3-azabicyclo[3.2.1]oct-3-en-2-yl]-4-fluorophenyl]-1-(5-methoxy-3-methylpyrazin-2-yl)ethanone;(1R,4R,5S)-4-[2-fluoro-5-[(2-methoxypyrido[3,4-b]pyrazin-5-yl)methyl]phenyl]-1,4-dimethyl-8-methylidene-8-oxo-8λ6-thia-3-azabicyclo[3.2.1]oct-2-en-2-amine

2-[3-[(1S,2R,5R)-4-amino-2,5-dimethyl-8-methylidene-8-oxo-8λ6-thia-3-azabicyclo[3.2.1]oct-3-en-2-yl]-4-fluorophenyl]-1-(5-but-2-ynoxypyrazin-2-yl)ethanone;2-[3-[(1S,2R,5R)-4-amino-2,5-dimethyl-8-methylidene-8-oxo-8λ6-thia-3-azabicyclo[3.2.1]oct-3-en-2-yl]-4-fluorophenyl]-1-(5-methoxy-3-methylpyrazin-2-yl)ethanone;2-[3-[(1S,2R,5R)-4-amino-5-(fluoromethyl)-2-methyl-8-methylidene-8-oxo-8λ6-thia-3-azabicyclo[3.2.1]oct-3-en-2-yl]-4-fluorophenyl]-1-(5-chloro-2-pyridinyl)ethanone;2-[3-[(1S,2R,5R)-4-amino-5-(fluoromethyl)-2-methyl-8-methylidene-8-oxo-8λ6-thia-3-azabicyclo[3.2.1]oct-3-en-2-yl]-4-fluorophenyl]-1-(5-methoxy-3-methylpyrazin-2-yl)ethanone;(1R,4R,5S)-4-[2-fluoro-5-[(2-methoxypyrido[3,4-b]pyrazin-5-yl)methyl]phenyl]-1,4-dimethyl-8-methylidene-8-oxo-8λ6-thia-3-azabicyclo[3.2.1]oct-2-en-2-amine (PubChem CID 157309777) has the molecular formula C117H128ClF7N20O13S5 and a molecular weight of 2351.21 g/mol. Its IUPAC name is 2-[3-[(1S,2R,5R)-4-amino-2,5-dimethyl-8-methylidene-8-oxo-8λ6-thia-3-azabicyclo[3.2.1]oct-3-en-2-yl]-4-fluorophenyl]-1-(5-but-2-ynoxypyrazin-2-yl)ethanone;2-[3-[(1S,2R,5R)-4-amino-2,5-dimethyl-8-methylidene-8-oxo-8λ6-thia-3-azabicyclo[3.2.1]oct-3-en-2-yl]-4-fluorophenyl]-1-(5-methoxy-3-methylpyrazin-2-yl)ethanone;2-[3-[(1S,2R,5R)-4-amino-5-(fluoromethyl)-2-methyl-8-methylidene-8-oxo-8λ6-thia-3-azabicyclo[3.2.1]oct-3-en-2-yl]-4-fluorophenyl]-1-(5-chloro-2-pyridinyl)ethanone;2-[3-[(1S,2R,5R)-4-amino-5-(fluoromethyl)-2-methyl-8-methylidene-8-oxo-8λ6-thia-3-azabicyclo[3.2.1]oct-3-en-2-yl]-4-fluorophenyl]-1-(5-methoxy-3-methylpyrazin-2-yl)ethanone;(1R,4R,5S)-4-[2-fluoro-5-[(2-methoxypyrido[3,4-b]pyrazin-5-yl)methyl]phenyl]-1,4-dimethyl-8-methylidene-8-oxo-8λ6-thia-3-azabicyclo[3.2.1]oct-2-en-2-amine.

Molecular Properties

• Compound Name: 2-[3-[(1S,2R,5R)-4-amino-2,5-dimethyl-8-methylidene-8-oxo-8λ6-thia-3-azabicyclo[3.2.1]oct-3-en-2-yl]-4-fluorophenyl]-1-(5-but-2-ynoxypyrazin-2-yl)ethanone;2-[3-[(1S,2R,5R)-4-amino-2,5-dimethyl-8-methylidene-8-oxo-8λ6-thia-3-azabicyclo[3.2.1]oct-3-en-2-yl]-4-fluorophenyl]-1-(5-methoxy-3-methylpyrazin-2-yl)ethanone;2-[3-[(1S,2R,5R)-4-amino-5-(fluoromethyl)-2-methyl-8-methylidene-8-oxo-8λ6-thia-3-azabicyclo[3.2.1]oct-3-en-2-yl]-4-fluorophenyl]-1-(5-chloro-2-pyridinyl)ethanone;2-[3-[(1S,2R,5R)-4-amino-5-(fluoromethyl)-2-methyl-8-methylidene-8-oxo-8λ6-thia-3-azabicyclo[3.2.1]oct-3-en-2-yl]-4-fluorophenyl]-1-(5-methoxy-3-methylpyrazin-2-yl)ethanone;(1R,4R,5S)-4-[2-fluoro-5-[(2-methoxypyrido[3,4-b]pyrazin-5-yl)methyl]phenyl]-1,4-dimethyl-8-methylidene-8-oxo-8λ6-thia-3-azabicyclo[3.2.1]oct-2-en-2-amine
• PubChem CID: 157309777
• Molecular Formula: C117H128ClF7N20O13S5
• Molecular Weight: 2351.21 g/mol
• Exact Mass: 2348.82
• IUPAC Name: 2-[3-[(1S,2R,5R)-4-amino-2,5-dimethyl-8-methylidene-8-oxo-8λ6-thia-3-azabicyclo[3.2.1]oct-3-en-2-yl]-4-fluorophenyl]-1-(5-but-2-ynoxypyrazin-2-yl)ethanone;2-[3-[(1S,2R,5R)-4-amino-2,5-dimethyl-8-methylidene-8-oxo-8λ6-thia-3-azabicyclo[3.2.1]oct-3-en-2-yl]-4-fluorophenyl]-1-(5-methoxy-3-methylpyrazin-2-yl)ethanone;2-[3-[(1S,2R,5R)-4-amino-5-(fluoromethyl)-2-methyl-8-methylidene-8-oxo-8λ6-thia-3-azabicyclo[3.2.1]oct-3-en-2-yl]-4-fluorophenyl]-1-(5-chloro-2-pyridinyl)ethanone;2-[3-[(1S,2R,5R)-4-amino-5-(fluoromethyl)-2-methyl-8-methylidene-8-oxo-8λ6-thia-3-azabicyclo[3.2.1]oct-3-en-2-yl]-4-fluorophenyl]-1-(5-methoxy-3-methylpyrazin-2-yl)ethanone;(1R,4R,5S)-4-[2-fluoro-5-[(2-methoxypyrido[3,4-b]pyrazin-5-yl)methyl]phenyl]-1,4-dimethyl-8-methylidene-8-oxo-8λ6-thia-3-azabicyclo[3.2.1]oct-2-en-2-amine
• SMILES: C=S1(=O)C2CC[C@]1(C)C(N)=N[C@]2(C)c1cc(CC(=O)c2cnc(OCC#CC)cn2)ccc1F.C=S1(=O)C2CC[C@]1(C)C(N)=N[C@]2(C)c1cc(CC(=O)c2ncc(OC)nc2C)ccc1F.C=S1(=O)C2CC[C@]1(C)C(N)=N[C@]2(C)c1cc(Cc2nccc3nc(OC)cnc23)ccc1F.C=S1(=O)C2CC[C@]1(CF)C(N)=N[C@]2(C)c1cc(CC(=O)c2ccc(Cl)cn2)ccc1F.C=S1(=O)C2CC[C@]1(CF)C(N)=N[C@]2(C)c1cc(CC(=O)c2ncc(OC)nc2C)ccc1F
• InChI: InChI=1S/C25H27FN4O3S.C24H26FN5O2S.C23H26F2N4O3S.C23H27FN4O3S.C22H22ClF2N3O2S/c1-5-6-11-33-22-15-28-19(14-29-22)20(31)13-16-7-8-18(26)17(12-16)25(3)21-9-10-24(2,23(27)30-25)34(21,4)32;1-23-9-7-19(33(23,4)31)24(2,30-22(23)26)15-11-14(5-6-16(15)25)12-18-21-17(8-10-27-18)29-20(32-3)13-28-21;1-13-20(27-11-19(28-13)32-3)17(30)10-14-5-6-16(25)15(9-14)22(2)18-7-8-23(12-24,21(26)29-22)33(18,4)31;1-13-20(26-12-19(27-13)31-4)17(29)11-14-6-7-16(24)15(10-14)23(3)18-8-9-22(2,21(25)28-23)32(18,5)30;1-21(19-7-8-22(12-24,20(26)28-21)31(19,2)30)15-9-13(3-5-16(15)25)10-18(29)17-6-4-14(23)11-27-17/h7-8,12,14-15,21H,4,9-11,13H2,1-3H3,(H2,27,30);5-6,8,10-11,13,19H,4,7,9,12H2,1-3H3,(H2,26,30);5-6,9,11,18H,4,7-8,10,12H2,1-3H3,(H2,26,29);6-7,10,12,18H,5,8-9,11H2,1-4H3,(H2,25,28);3-6,9,11,19H,2,7-8,10,12H2,1H3,(H2,26,28)/t21?,24-,25-,34?;19?,23-,24-,33?;18?,22-,23+,33?;18?,22-,23-,32?;19?,21-,22+,31?/m11111/s1
• InChIKey: BCXDENSEQWCFGU-BPVHWMNXSA-N
• XLogP: 14.24
• TPSA: 511.35 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 33
• Rotatable Bonds: 26
• Heavy Atoms: 163
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2351.21
LogP ≤ 5	14.24
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	33

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-[3-[(1S,2R,5R)-4-amino-2,5-dimethyl-8-methylidene-8-oxo-8λ6-thia-3-azabicyclo[3.2.1]oct-3-en-2-yl]-4-fluorophenyl]-1-(5-but-2-ynoxypyrazin-2-yl)ethanone;2-[3-[(1S,2R,5R)-4-amino-2,5-dimethyl-8-methylidene-8-oxo-8λ6-thia-3-azabicyclo[3.2.1]oct-3-en-2-yl]-4-fluorophenyl]-1-(5-methoxy-3-methylpyrazin-2-yl)ethanone;2-[3-[(1S,2R,5R)-4-amino-5-(fluoromethyl)-2-methyl-8-methylidene-8-oxo-8λ6-thia-3-azabicyclo[3.2.1]oct-3-en-2-yl]-4-fluorophenyl]-1-(5-chloro-2-pyridinyl)ethanone;2-[3-[(1S,2R,5R)-4-amino-5-(fluoromethyl)-2-methyl-8-methylidene-8-oxo-8λ6-thia-3-azabicyclo[3.2.1]oct-3-en-2-yl]-4-fluorophenyl]-1-(5-methoxy-3-methylpyrazin-2-yl)ethanone;(1R,4R,5S)-4-[2-fluoro-5-[(2-methoxypyrido[3,4-b]pyrazin-5-yl)methyl]phenyl]-1,4-dimethyl-8-methylidene-8-oxo-8λ6-thia-3-azabicyclo[3.2.1]oct-2-en-2-amine?

The IUPAC name of 2-[3-[(1S,2R,5R)-4-amino-2,5-dimethyl-8-methylidene-8-oxo-8λ6-thia-3-azabicyclo[3.2.1]oct-3-en-2-yl]-4-fluorophenyl]-1-(5-but-2-ynoxypyrazin-2-yl)ethanone;2-[3-[(1S,2R,5R)-4-amino-2,5-dimethyl-8-methylidene-8-oxo-8λ6-thia-3-azabicyclo[3.2.1]oct-3-en-2-yl]-4-fluorophenyl]-1-(5-methoxy-3-methylpyrazin-2-yl)ethanone;2-[3-[(1S,2R,5R)-4-amino-5-(fluoromethyl)-2-methyl-8-methylidene-8-oxo-8λ6-thia-3-azabicyclo[3.2.1]oct-3-en-2-yl]-4-fluorophenyl]-1-(5-chloro-2-pyridinyl)ethanone;2-[3-[(1S,2R,5R)-4-amino-5-(fluoromethyl)-2-methyl-8-methylidene-8-oxo-8λ6-thia-3-azabicyclo[3.2.1]oct-3-en-2-yl]-4-fluorophenyl]-1-(5-methoxy-3-methylpyrazin-2-yl)ethanone;(1R,4R,5S)-4-[2-fluoro-5-[(2-methoxypyrido[3,4-b]pyrazin-5-yl)methyl]phenyl]-1,4-dimethyl-8-methylidene-8-oxo-8λ6-thia-3-azabicyclo[3.2.1]oct-2-en-2-amine (CID 157309777) is 2-[3-[(1S,2R,5R)-4-amino-2,5-dimethyl-8-methylidene-8-oxo-8λ6-thia-3-azabicyclo[3.2.1]oct-3-en-2-yl]-4-fluorophenyl]-1-(5-but-2-ynoxypyrazin-2-yl)ethanone;2-[3-[(1S,2R,5R)-4-amino-2,5-dimethyl-8-methylidene-8-oxo-8λ6-thia-3-azabicyclo[3.2.1]oct-3-en-2-yl]-4-fluorophenyl]-1-(5-methoxy-3-methylpyrazin-2-yl)ethanone;2-[3-[(1S,2R,5R)-4-amino-5-(fluoromethyl)-2-methyl-8-methylidene-8-oxo-8λ6-thia-3-azabicyclo[3.2.1]oct-3-en-2-yl]-4-fluorophenyl]-1-(5-chloro-2-pyridinyl)ethanone;2-[3-[(1S,2R,5R)-4-amino-5-(fluoromethyl)-2-methyl-8-methylidene-8-oxo-8λ6-thia-3-azabicyclo[3.2.1]oct-3-en-2-yl]-4-fluorophenyl]-1-(5-methoxy-3-methylpyrazin-2-yl)ethanone;(1R,4R,5S)-4-[2-fluoro-5-[(2-methoxypyrido[3,4-b]pyrazin-5-yl)methyl]phenyl]-1,4-dimethyl-8-methylidene-8-oxo-8λ6-thia-3-azabicyclo[3.2.1]oct-2-en-2-amine.

What is the SMILES notation for 2-[3-[(1S,2R,5R)-4-amino-2,5-dimethyl-8-methylidene-8-oxo-8λ6-thia-3-azabicyclo[3.2.1]oct-3-en-2-yl]-4-fluorophenyl]-1-(5-but-2-ynoxypyrazin-2-yl)ethanone;2-[3-[(1S,2R,5R)-4-amino-2,5-dimethyl-8-methylidene-8-oxo-8λ6-thia-3-azabicyclo[3.2.1]oct-3-en-2-yl]-4-fluorophenyl]-1-(5-methoxy-3-methylpyrazin-2-yl)ethanone;2-[3-[(1S,2R,5R)-4-amino-5-(fluoromethyl)-2-methyl-8-methylidene-8-oxo-8λ6-thia-3-azabicyclo[3.2.1]oct-3-en-2-yl]-4-fluorophenyl]-1-(5-chloro-2-pyridinyl)ethanone;2-[3-[(1S,2R,5R)-4-amino-5-(fluoromethyl)-2-methyl-8-methylidene-8-oxo-8λ6-thia-3-azabicyclo[3.2.1]oct-3-en-2-yl]-4-fluorophenyl]-1-(5-methoxy-3-methylpyrazin-2-yl)ethanone;(1R,4R,5S)-4-[2-fluoro-5-[(2-methoxypyrido[3,4-b]pyrazin-5-yl)methyl]phenyl]-1,4-dimethyl-8-methylidene-8-oxo-8λ6-thia-3-azabicyclo[3.2.1]oct-2-en-2-amine?

The canonical SMILES for 2-[3-[(1S,2R,5R)-4-amino-2,5-dimethyl-8-methylidene-8-oxo-8λ6-thia-3-azabicyclo[3.2.1]oct-3-en-2-yl]-4-fluorophenyl]-1-(5-but-2-ynoxypyrazin-2-yl)ethanone;2-[3-[(1S,2R,5R)-4-amino-2,5-dimethyl-8-methylidene-8-oxo-8λ6-thia-3-azabicyclo[3.2.1]oct-3-en-2-yl]-4-fluorophenyl]-1-(5-methoxy-3-methylpyrazin-2-yl)ethanone;2-[3-[(1S,2R,5R)-4-amino-5-(fluoromethyl)-2-methyl-8-methylidene-8-oxo-8λ6-thia-3-azabicyclo[3.2.1]oct-3-en-2-yl]-4-fluorophenyl]-1-(5-chloro-2-pyridinyl)ethanone;2-[3-[(1S,2R,5R)-4-amino-5-(fluoromethyl)-2-methyl-8-methylidene-8-oxo-8λ6-thia-3-azabicyclo[3.2.1]oct-3-en-2-yl]-4-fluorophenyl]-1-(5-methoxy-3-methylpyrazin-2-yl)ethanone;(1R,4R,5S)-4-[2-fluoro-5-[(2-methoxypyrido[3,4-b]pyrazin-5-yl)methyl]phenyl]-1,4-dimethyl-8-methylidene-8-oxo-8λ6-thia-3-azabicyclo[3.2.1]oct-2-en-2-amine is C=S1(=O)C2CC[C@]1(C)C(N)=N[C@]2(C)c1cc(CC(=O)c2cnc(OCC#CC)cn2)ccc1F.C=S1(=O)C2CC[C@]1(C)C(N)=N[C@]2(C)c1cc(CC(=O)c2ncc(OC)nc2C)ccc1F.C=S1(=O)C2CC[C@]1(C)C(N)=N[C@]2(C)c1cc(Cc2nccc3nc(OC)cnc23)ccc1F.C=S1(=O)C2CC[C@]1(CF)C(N)=N[C@]2(C)c1cc(CC(=O)c2ccc(Cl)cn2)ccc1F.C=S1(=O)C2CC[C@]1(CF)C(N)=N[C@]2(C)c1cc(CC(=O)c2ncc(OC)nc2C)ccc1F.

What is the InChIKey of 2-[3-[(1S,2R,5R)-4-amino-2,5-dimethyl-8-methylidene-8-oxo-8λ6-thia-3-azabicyclo[3.2.1]oct-3-en-2-yl]-4-fluorophenyl]-1-(5-but-2-ynoxypyrazin-2-yl)ethanone;2-[3-[(1S,2R,5R)-4-amino-2,5-dimethyl-8-methylidene-8-oxo-8λ6-thia-3-azabicyclo[3.2.1]oct-3-en-2-yl]-4-fluorophenyl]-1-(5-methoxy-3-methylpyrazin-2-yl)ethanone;2-[3-[(1S,2R,5R)-4-amino-5-(fluoromethyl)-2-methyl-8-methylidene-8-oxo-8λ6-thia-3-azabicyclo[3.2.1]oct-3-en-2-yl]-4-fluorophenyl]-1-(5-chloro-2-pyridinyl)ethanone;2-[3-[(1S,2R,5R)-4-amino-5-(fluoromethyl)-2-methyl-8-methylidene-8-oxo-8λ6-thia-3-azabicyclo[3.2.1]oct-3-en-2-yl]-4-fluorophenyl]-1-(5-methoxy-3-methylpyrazin-2-yl)ethanone;(1R,4R,5S)-4-[2-fluoro-5-[(2-methoxypyrido[3,4-b]pyrazin-5-yl)methyl]phenyl]-1,4-dimethyl-8-methylidene-8-oxo-8λ6-thia-3-azabicyclo[3.2.1]oct-2-en-2-amine?

The InChIKey is BCXDENSEQWCFGU-BPVHWMNXSA-N. The full InChI is InChI=1S/C25H27FN4O3S.C24H26FN5O2S.C23H26F2N4O3S.C23H27FN4O3S.C22H22ClF2N3O2S/c1-5-6-11-33-22-15-28-19(14-29-22)20(31)13-16-7-8-18(26)17(12-16)25(3)21-9-10-24(2,23(27)30-25)34(21,4)32;1-23-9-7-19(33(23,4)31)24(2,30-22(23)26)15-11-14(5-6-16(15)25)12-18-21-17(8-10-27-18)29-20(32-3)13-28-21;1-13-20(27-11-19(28-13)32-3)17(30)10-14-5-6-16(25)15(9-14)22(2)18-7-8-23(12-24,21(26)29-22)33(18,4)31;1-13-20(26-12-19(27-13)31-4)17(29)11-14-6-7-16(24)15(10-14)23(3)18-8-9-22(2,21(25)28-23)32(18,5)30;1-21(19-7-8-22(12-24,20(26)28-21)31(19,2)30)15-9-13(3-5-16(15)25)10-18(29)17-6-4-14(23)11-27-17/h7-8,12,14-15,21H,4,9-11,13H2,1-3H3,(H2,27,30);5-6,8,10-11,13,19H,4,7,9,12H2,1-3H3,(H2,26,30);5-6,9,11,18H,4,7-8,10,12H2,1-3H3,(H2,26,29);6-7,10,12,18H,5,8-9,11H2,1-4H3,(H2,25,28);3-6,9,11,19H,2,7-8,10,12H2,1H3,(H2,26,28)/t21?,24-,25-,34?;19?,23-,24-,33?;18?,22-,23+,33?;18?,22-,23-,32?;19?,21-,22+,31?/m11111/s1.

What are the key properties of 2-[3-[(1S,2R,5R)-4-amino-2,5-dimethyl-8-methylidene-8-oxo-8λ6-thia-3-azabicyclo[3.2.1]oct-3-en-2-yl]-4-fluorophenyl]-1-(5-but-2-ynoxypyrazin-2-yl)ethanone;2-[3-[(1S,2R,5R)-4-amino-2,5-dimethyl-8-methylidene-8-oxo-8λ6-thia-3-azabicyclo[3.2.1]oct-3-en-2-yl]-4-fluorophenyl]-1-(5-methoxy-3-methylpyrazin-2-yl)ethanone;2-[3-[(1S,2R,5R)-4-amino-5-(fluoromethyl)-2-methyl-8-methylidene-8-oxo-8λ6-thia-3-azabicyclo[3.2.1]oct-3-en-2-yl]-4-fluorophenyl]-1-(5-chloro-2-pyridinyl)ethanone;2-[3-[(1S,2R,5R)-4-amino-5-(fluoromethyl)-2-methyl-8-methylidene-8-oxo-8λ6-thia-3-azabicyclo[3.2.1]oct-3-en-2-yl]-4-fluorophenyl]-1-(5-methoxy-3-methylpyrazin-2-yl)ethanone;(1R,4R,5S)-4-[2-fluoro-5-[(2-methoxypyrido[3,4-b]pyrazin-5-yl)methyl]phenyl]-1,4-dimethyl-8-methylidene-8-oxo-8λ6-thia-3-azabicyclo[3.2.1]oct-2-en-2-amine?

2-[3-[(1S,2R,5R)-4-amino-2,5-dimethyl-8-methylidene-8-oxo-8λ6-thia-3-azabicyclo[3.2.1]oct-3-en-2-yl]-4-fluorophenyl]-1-(5-but-2-ynoxypyrazin-2-yl)ethanone;2-[3-[(1S,2R,5R)-4-amino-2,5-dimethyl-8-methylidene-8-oxo-8λ6-thia-3-azabicyclo[3.2.1]oct-3-en-2-yl]-4-fluorophenyl]-1-(5-methoxy-3-methylpyrazin-2-yl)ethanone;2-[3-[(1S,2R,5R)-4-amino-5-(fluoromethyl)-2-methyl-8-methylidene-8-oxo-8λ6-thia-3-azabicyclo[3.2.1]oct-3-en-2-yl]-4-fluorophenyl]-1-(5-chloro-2-pyridinyl)ethanone;2-[3-[(1S,2R,5R)-4-amino-5-(fluoromethyl)-2-methyl-8-methylidene-8-oxo-8λ6-thia-3-azabicyclo[3.2.1]oct-3-en-2-yl]-4-fluorophenyl]-1-(5-methoxy-3-methylpyrazin-2-yl)ethanone;(1R,4R,5S)-4-[2-fluoro-5-[(2-methoxypyrido[3,4-b]pyrazin-5-yl)methyl]phenyl]-1,4-dimethyl-8-methylidene-8-oxo-8λ6-thia-3-azabicyclo[3.2.1]oct-2-en-2-amine has a molecular weight of 2351.21 g/mol, XLogP of 14.24, 26 rotatable bonds, 5 hydrogen bond donors, and 33 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[3-[(1S,2R,5R)-4-amino-2,5-dimethyl-8-methylidene-8-oxo-8λ6-thia-3-azabicyclo[3.2.1]oct-3-en-2-yl]-4-fluorophenyl]-1-(5-but-2-ynoxypyrazin-2-yl)ethanone;2-[3-[(1S,2R,5R)-4-amino-2,5-dimethyl-8-methylidene-8-oxo-8λ6-thia-3-azabicyclo[3.2.1]oct-3-en-2-yl]-4-fluorophenyl]-1-(5-methoxy-3-methylpyrazin-2-yl)ethanone;2-[3-[(1S,2R,5R)-4-amino-5-(fluoromethyl)-2-methyl-8-methylidene-8-oxo-8λ6-thia-3-azabicyclo[3.2.1]oct-3-en-2-yl]-4-fluorophenyl]-1-(5-chloro-2-pyridinyl)ethanone;2-[3-[(1S,2R,5R)-4-amino-5-(fluoromethyl)-2-methyl-8-methylidene-8-oxo-8λ6-thia-3-azabicyclo[3.2.1]oct-3-en-2-yl]-4-fluorophenyl]-1-(5-methoxy-3-methylpyrazin-2-yl)ethanone;(1R,4R,5S)-4-[2-fluoro-5-[(2-methoxypyrido[3,4-b]pyrazin-5-yl)methyl]phenyl]-1,4-dimethyl-8-methylidene-8-oxo-8λ6-thia-3-azabicyclo[3.2.1]oct-2-en-2-amine is sourced from PubChem (CID 157309777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).