6-[2-[3-[(1R,5S,6R)-3-amino-5-ethyl-2-oxa-4-azabicyclo[4.1.0]hept-3-en-5-yl]-4-chlorophenyl]acetyl]-5-chloropyridine-3-carbonitrile;6-[2-[3-[(1R,5S,6R)-3-amino-5-ethyl-2-oxa-4-azabicyclo[4.1.0]hept-3-en-5-yl]-4-fluorophenyl]acetyl]pyridine-3-carbonitrile;2-[3-[(1R,5S,6R)-3-amino-5-ethyl-2-oxa-4-azabicyclo[4.1.0]hept-3-en-5-yl]-4-fluorophenyl]-1-(5-but-2-ynoxypyrazin-2-yl)ethanone;2-[3-[(1R,5S,6R)-3-amino-5-ethyl-2-oxa-4-azabicyclo[4.1.0]hept-3-en-5-yl]-4-fluorophenyl]-1-(3,5-dichloro-2-pyridinyl)ethanone;6-[2-[3-[(1R,5S,6R)-3-amino-5-(1-fluoroethyl)-2-oxa-4-azabicyclo[4.1.0]hept-3-en-5-yl]-4-fluoro-5-methylphenyl]acetyl]-5-chloropyridine-3-carbonitrile;6-[2-[3-[(1R,5S,6R)-3-amino-5-(1-fluoroethyl)-2-oxa-4-azabicyclo[4.1.0]hept-3-en-5-yl]-4-fluoro-5-methylphenyl]acetyl]-5-methylpyridine-3-carbonitrile;2-[3-[(1R,5S,6R)-3-amino-5-(1-fluoroethyl)-2-oxa-4-azabicyclo[4.1.0]hept-3-en-5-yl]-4-fluorophenyl]-1-(5-chloro-3-fluoro-2-pyridinyl)ethanone

C150H136Cl6F10N26O15 — CID 160702492

About 6-[2-[3-[(1R,5S,6R)-3-amino-5-ethyl-2-oxa-4-azabicyclo[4.1.0]hept-3-en-5-yl]-4-chlorophenyl]acetyl]-5-chloropyridine-3-carbonitrile;6-[2-[3-[(1R,5S,6R)-3-amino-5-ethyl-2-oxa-4-azabicyclo[4.1.0]hept-3-en-5-yl]-4-fluorophenyl]acetyl]pyridine-3-carbonitrile;2-[3-[(1R,5S,6R)-3-amino-5-ethyl-2-oxa-4-azabicyclo[4.1.0]hept-3-en-5-yl]-4-fluorophenyl]-1-(5-but-2-ynoxypyrazin-2-yl)ethanone;2-[3-[(1R,5S,6R)-3-amino-5-ethyl-2-oxa-4-azabicyclo[4.1.0]hept-3-en-5-yl]-4-fluorophenyl]-1-(3,5-dichloro-2-pyridinyl)ethanone;6-[2-[3-[(1R,5S,6R)-3-amino-5-(1-fluoroethyl)-2-oxa-4-azabicyclo[4.1.0]hept-3-en-5-yl]-4-fluoro-5-methylphenyl]acetyl]-5-chloropyridine-3-carbonitrile;6-[2-[3-[(1R,5S,6R)-3-amino-5-(1-fluoroethyl)-2-oxa-4-azabicyclo[4.1.0]hept-3-en-5-yl]-4-fluoro-5-methylphenyl]acetyl]-5-methylpyridine-3-carbonitrile;2-[3-[(1R,5S,6R)-3-amino-5-(1-fluoroethyl)-2-oxa-4-azabicyclo[4.1.0]hept-3-en-5-yl]-4-fluorophenyl]-1-(5-chloro-3-fluoro-2-pyridinyl)ethanone

6-[2-[3-[(1R,5S,6R)-3-amino-5-ethyl-2-oxa-4-azabicyclo[4.1.0]hept-3-en-5-yl]-4-chlorophenyl]acetyl]-5-chloropyridine-3-carbonitrile;6-[2-[3-[(1R,5S,6R)-3-amino-5-ethyl-2-oxa-4-azabicyclo[4.1.0]hept-3-en-5-yl]-4-fluorophenyl]acetyl]pyridine-3-carbonitrile;2-[3-[(1R,5S,6R)-3-amino-5-ethyl-2-oxa-4-azabicyclo[4.1.0]hept-3-en-5-yl]-4-fluorophenyl]-1-(5-but-2-ynoxypyrazin-2-yl)ethanone;2-[3-[(1R,5S,6R)-3-amino-5-ethyl-2-oxa-4-azabicyclo[4.1.0]hept-3-en-5-yl]-4-fluorophenyl]-1-(3,5-dichloro-2-pyridinyl)ethanone;6-[2-[3-[(1R,5S,6R)-3-amino-5-(1-fluoroethyl)-2-oxa-4-azabicyclo[4.1.0]hept-3-en-5-yl]-4-fluoro-5-methylphenyl]acetyl]-5-chloropyridine-3-carbonitrile;6-[2-[3-[(1R,5S,6R)-3-amino-5-(1-fluoroethyl)-2-oxa-4-azabicyclo[4.1.0]hept-3-en-5-yl]-4-fluoro-5-methylphenyl]acetyl]-5-methylpyridine-3-carbonitrile;2-[3-[(1R,5S,6R)-3-amino-5-(1-fluoroethyl)-2-oxa-4-azabicyclo[4.1.0]hept-3-en-5-yl]-4-fluorophenyl]-1-(5-chloro-3-fluoro-2-pyridinyl)ethanone (PubChem CID 160702492) has the molecular formula C150H136Cl6F10N26O15 and a molecular weight of 2945.60 g/mol. Its IUPAC name is 6-[2-[3-[(1R,5S,6R)-3-amino-5-ethyl-2-oxa-4-azabicyclo[4.1.0]hept-3-en-5-yl]-4-chlorophenyl]acetyl]-5-chloropyridine-3-carbonitrile;6-[2-[3-[(1R,5S,6R)-3-amino-5-ethyl-2-oxa-4-azabicyclo[4.1.0]hept-3-en-5-yl]-4-fluorophenyl]acetyl]pyridine-3-carbonitrile;2-[3-[(1R,5S,6R)-3-amino-5-ethyl-2-oxa-4-azabicyclo[4.1.0]hept-3-en-5-yl]-4-fluorophenyl]-1-(5-but-2-ynoxypyrazin-2-yl)ethanone;2-[3-[(1R,5S,6R)-3-amino-5-ethyl-2-oxa-4-azabicyclo[4.1.0]hept-3-en-5-yl]-4-fluorophenyl]-1-(3,5-dichloro-2-pyridinyl)ethanone;6-[2-[3-[(1R,5S,6R)-3-amino-5-(1-fluoroethyl)-2-oxa-4-azabicyclo[4.1.0]hept-3-en-5-yl]-4-fluoro-5-methylphenyl]acetyl]-5-chloropyridine-3-carbonitrile;6-[2-[3-[(1R,5S,6R)-3-amino-5-(1-fluoroethyl)-2-oxa-4-azabicyclo[4.1.0]hept-3-en-5-yl]-4-fluoro-5-methylphenyl]acetyl]-5-methylpyridine-3-carbonitrile;2-[3-[(1R,5S,6R)-3-amino-5-(1-fluoroethyl)-2-oxa-4-azabicyclo[4.1.0]hept-3-en-5-yl]-4-fluorophenyl]-1-(5-chloro-3-fluoro-2-pyridinyl)ethanone.

Molecular Properties

• Compound Name: 6-[2-[3-[(1R,5S,6R)-3-amino-5-ethyl-2-oxa-4-azabicyclo[4.1.0]hept-3-en-5-yl]-4-chlorophenyl]acetyl]-5-chloropyridine-3-carbonitrile;6-[2-[3-[(1R,5S,6R)-3-amino-5-ethyl-2-oxa-4-azabicyclo[4.1.0]hept-3-en-5-yl]-4-fluorophenyl]acetyl]pyridine-3-carbonitrile;2-[3-[(1R,5S,6R)-3-amino-5-ethyl-2-oxa-4-azabicyclo[4.1.0]hept-3-en-5-yl]-4-fluorophenyl]-1-(5-but-2-ynoxypyrazin-2-yl)ethanone;2-[3-[(1R,5S,6R)-3-amino-5-ethyl-2-oxa-4-azabicyclo[4.1.0]hept-3-en-5-yl]-4-fluorophenyl]-1-(3,5-dichloro-2-pyridinyl)ethanone;6-[2-[3-[(1R,5S,6R)-3-amino-5-(1-fluoroethyl)-2-oxa-4-azabicyclo[4.1.0]hept-3-en-5-yl]-4-fluoro-5-methylphenyl]acetyl]-5-chloropyridine-3-carbonitrile;6-[2-[3-[(1R,5S,6R)-3-amino-5-(1-fluoroethyl)-2-oxa-4-azabicyclo[4.1.0]hept-3-en-5-yl]-4-fluoro-5-methylphenyl]acetyl]-5-methylpyridine-3-carbonitrile;2-[3-[(1R,5S,6R)-3-amino-5-(1-fluoroethyl)-2-oxa-4-azabicyclo[4.1.0]hept-3-en-5-yl]-4-fluorophenyl]-1-(5-chloro-3-fluoro-2-pyridinyl)ethanone
• PubChem CID: 160702492
• Molecular Formula: C150H136Cl6F10N26O15
• Molecular Weight: 2945.60 g/mol
• Exact Mass: 2940.86
• IUPAC Name: 6-[2-[3-[(1R,5S,6R)-3-amino-5-ethyl-2-oxa-4-azabicyclo[4.1.0]hept-3-en-5-yl]-4-chlorophenyl]acetyl]-5-chloropyridine-3-carbonitrile;6-[2-[3-[(1R,5S,6R)-3-amino-5-ethyl-2-oxa-4-azabicyclo[4.1.0]hept-3-en-5-yl]-4-fluorophenyl]acetyl]pyridine-3-carbonitrile;2-[3-[(1R,5S,6R)-3-amino-5-ethyl-2-oxa-4-azabicyclo[4.1.0]hept-3-en-5-yl]-4-fluorophenyl]-1-(5-but-2-ynoxypyrazin-2-yl)ethanone;2-[3-[(1R,5S,6R)-3-amino-5-ethyl-2-oxa-4-azabicyclo[4.1.0]hept-3-en-5-yl]-4-fluorophenyl]-1-(3,5-dichloro-2-pyridinyl)ethanone;6-[2-[3-[(1R,5S,6R)-3-amino-5-(1-fluoroethyl)-2-oxa-4-azabicyclo[4.1.0]hept-3-en-5-yl]-4-fluoro-5-methylphenyl]acetyl]-5-chloropyridine-3-carbonitrile;6-[2-[3-[(1R,5S,6R)-3-amino-5-(1-fluoroethyl)-2-oxa-4-azabicyclo[4.1.0]hept-3-en-5-yl]-4-fluoro-5-methylphenyl]acetyl]-5-methylpyridine-3-carbonitrile;2-[3-[(1R,5S,6R)-3-amino-5-(1-fluoroethyl)-2-oxa-4-azabicyclo[4.1.0]hept-3-en-5-yl]-4-fluorophenyl]-1-(5-chloro-3-fluoro-2-pyridinyl)ethanone
• SMILES: CC#CCOc1cnc(C(=O)Cc2ccc(F)c([C@@]3(CC)N=C(N)O[C@@H]4C[C@@H]43)c2)cn1.CC(F)[C@]1(c2cc(CC(=O)c3ncc(Cl)cc3F)ccc2F)N=C(N)O[C@@H]2C[C@@H]21.CC[C@]1(c2cc(CC(=O)c3ccc(C#N)cn3)ccc2F)N=C(N)O[C@@H]2C[C@@H]21.CC[C@]1(c2cc(CC(=O)c3ncc(C#N)cc3Cl)ccc2Cl)N=C(N)O[C@@H]2C[C@@H]21.CC[C@]1(c2cc(CC(=O)c3ncc(Cl)cc3Cl)ccc2F)N=C(N)O[C@@H]2C[C@@H]21.Cc1cc(C#N)cnc1C(=O)Cc1cc(C)c(F)c([C@@]2(C(C)F)N=C(N)O[C@@H]3C[C@@H]32)c1.Cc1cc(CC(=O)c2ncc(C#N)cc2Cl)cc([C@@]2(C(C)F)N=C(N)O[C@@H]3C[C@@H]32)c1F
• InChI: InChI=1S/C23H22F2N4O2.C23H23FN4O3.C22H19ClF2N4O2.C21H18Cl2N4O2.C21H19FN4O2.C20H18Cl2FN3O2.C20H17ClF3N3O2/c1-11-4-14(7-18(30)21-12(2)5-15(9-26)10-28-21)6-17(20(11)25)23(13(3)24)16-8-19(16)31-22(27)29-23;1-3-5-8-30-21-13-26-18(12-27-21)19(29)10-14-6-7-17(24)15(9-14)23(4-2)16-11-20(16)31-22(25)28-23;1-10-3-12(6-17(30)20-16(23)5-13(8-26)9-28-20)4-15(19(10)25)22(11(2)24)14-7-18(14)31-21(27)29-22;1-2-21(14-8-18(14)29-20(25)27-21)13-5-11(3-4-15(13)22)7-17(28)19-16(23)6-12(9-24)10-26-19;1-2-21(15-9-19(15)28-20(24)26-21)14-7-12(3-5-16(14)22)8-18(27)17-6-4-13(10-23)11-25-17;1-2-20(13-8-17(13)28-19(24)26-20)12-5-10(3-4-15(12)23)6-16(27)18-14(22)7-11(21)9-25-18;1-9(22)20(13-7-17(13)29-19(25)27-20)12-4-10(2-3-14(12)23)5-16(28)18-15(24)6-11(21)8-26-18/h4-6,10,13,16,19H,7-8H2,1-3H3,(H2,27,29);6-7,9,12-13,16,20H,4,8,10-11H2,1-2H3,(H2,25,28);3-5,9,11,14,18H,6-7H2,1-2H3,(H2,27,29);3-6,10,14,18H,2,7-8H2,1H3,(H2,25,27);3-7,11,15,19H,2,8-9H2,1H3,(H2,24,26);3-5,7,9,13,17H,2,6,8H2,1H3,(H2,24,26);2-4,6,8-9,13,17H,5,7H2,1H3,(H2,25,27)/t13?,16-,19+,23-;16-,20+,23+;11?,14-,18+,22-;14-,18+,21+;15-,19+,21+;13-,17+,20+;9?,13-,17+,20+/m0000000/s1
• InChIKey: RQULFWKBLDSZMV-KVHOMWCYSA-N
• XLogP: 24.87
• TPSA: 660.27 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 41
• Rotatable Bonds: 37
• Heavy Atoms: 207
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2945.60
LogP ≤ 5	24.87
H-Bond Donors ≤ 5	7
H-Bond Acceptors ≤ 10	41

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 6-[2-[3-[(1R,5S,6R)-3-amino-5-ethyl-2-oxa-4-azabicyclo[4.1.0]hept-3-en-5-yl]-4-chlorophenyl]acetyl]-5-chloropyridine-3-carbonitrile;6-[2-[3-[(1R,5S,6R)-3-amino-5-ethyl-2-oxa-4-azabicyclo[4.1.0]hept-3-en-5-yl]-4-fluorophenyl]acetyl]pyridine-3-carbonitrile;2-[3-[(1R,5S,6R)-3-amino-5-ethyl-2-oxa-4-azabicyclo[4.1.0]hept-3-en-5-yl]-4-fluorophenyl]-1-(5-but-2-ynoxypyrazin-2-yl)ethanone;2-[3-[(1R,5S,6R)-3-amino-5-ethyl-2-oxa-4-azabicyclo[4.1.0]hept-3-en-5-yl]-4-fluorophenyl]-1-(3,5-dichloro-2-pyridinyl)ethanone;6-[2-[3-[(1R,5S,6R)-3-amino-5-(1-fluoroethyl)-2-oxa-4-azabicyclo[4.1.0]hept-3-en-5-yl]-4-fluoro-5-methylphenyl]acetyl]-5-chloropyridine-3-carbonitrile;6-[2-[3-[(1R,5S,6R)-3-amino-5-(1-fluoroethyl)-2-oxa-4-azabicyclo[4.1.0]hept-3-en-5-yl]-4-fluoro-5-methylphenyl]acetyl]-5-methylpyridine-3-carbonitrile;2-[3-[(1R,5S,6R)-3-amino-5-(1-fluoroethyl)-2-oxa-4-azabicyclo[4.1.0]hept-3-en-5-yl]-4-fluorophenyl]-1-(5-chloro-3-fluoro-2-pyridinyl)ethanone?

The IUPAC name of 6-[2-[3-[(1R,5S,6R)-3-amino-5-ethyl-2-oxa-4-azabicyclo[4.1.0]hept-3-en-5-yl]-4-chlorophenyl]acetyl]-5-chloropyridine-3-carbonitrile;6-[2-[3-[(1R,5S,6R)-3-amino-5-ethyl-2-oxa-4-azabicyclo[4.1.0]hept-3-en-5-yl]-4-fluorophenyl]acetyl]pyridine-3-carbonitrile;2-[3-[(1R,5S,6R)-3-amino-5-ethyl-2-oxa-4-azabicyclo[4.1.0]hept-3-en-5-yl]-4-fluorophenyl]-1-(5-but-2-ynoxypyrazin-2-yl)ethanone;2-[3-[(1R,5S,6R)-3-amino-5-ethyl-2-oxa-4-azabicyclo[4.1.0]hept-3-en-5-yl]-4-fluorophenyl]-1-(3,5-dichloro-2-pyridinyl)ethanone;6-[2-[3-[(1R,5S,6R)-3-amino-5-(1-fluoroethyl)-2-oxa-4-azabicyclo[4.1.0]hept-3-en-5-yl]-4-fluoro-5-methylphenyl]acetyl]-5-chloropyridine-3-carbonitrile;6-[2-[3-[(1R,5S,6R)-3-amino-5-(1-fluoroethyl)-2-oxa-4-azabicyclo[4.1.0]hept-3-en-5-yl]-4-fluoro-5-methylphenyl]acetyl]-5-methylpyridine-3-carbonitrile;2-[3-[(1R,5S,6R)-3-amino-5-(1-fluoroethyl)-2-oxa-4-azabicyclo[4.1.0]hept-3-en-5-yl]-4-fluorophenyl]-1-(5-chloro-3-fluoro-2-pyridinyl)ethanone (CID 160702492) is 6-[2-[3-[(1R,5S,6R)-3-amino-5-ethyl-2-oxa-4-azabicyclo[4.1.0]hept-3-en-5-yl]-4-chlorophenyl]acetyl]-5-chloropyridine-3-carbonitrile;6-[2-[3-[(1R,5S,6R)-3-amino-5-ethyl-2-oxa-4-azabicyclo[4.1.0]hept-3-en-5-yl]-4-fluorophenyl]acetyl]pyridine-3-carbonitrile;2-[3-[(1R,5S,6R)-3-amino-5-ethyl-2-oxa-4-azabicyclo[4.1.0]hept-3-en-5-yl]-4-fluorophenyl]-1-(5-but-2-ynoxypyrazin-2-yl)ethanone;2-[3-[(1R,5S,6R)-3-amino-5-ethyl-2-oxa-4-azabicyclo[4.1.0]hept-3-en-5-yl]-4-fluorophenyl]-1-(3,5-dichloro-2-pyridinyl)ethanone;6-[2-[3-[(1R,5S,6R)-3-amino-5-(1-fluoroethyl)-2-oxa-4-azabicyclo[4.1.0]hept-3-en-5-yl]-4-fluoro-5-methylphenyl]acetyl]-5-chloropyridine-3-carbonitrile;6-[2-[3-[(1R,5S,6R)-3-amino-5-(1-fluoroethyl)-2-oxa-4-azabicyclo[4.1.0]hept-3-en-5-yl]-4-fluoro-5-methylphenyl]acetyl]-5-methylpyridine-3-carbonitrile;2-[3-[(1R,5S,6R)-3-amino-5-(1-fluoroethyl)-2-oxa-4-azabicyclo[4.1.0]hept-3-en-5-yl]-4-fluorophenyl]-1-(5-chloro-3-fluoro-2-pyridinyl)ethanone.

What is the SMILES notation for 6-[2-[3-[(1R,5S,6R)-3-amino-5-ethyl-2-oxa-4-azabicyclo[4.1.0]hept-3-en-5-yl]-4-chlorophenyl]acetyl]-5-chloropyridine-3-carbonitrile;6-[2-[3-[(1R,5S,6R)-3-amino-5-ethyl-2-oxa-4-azabicyclo[4.1.0]hept-3-en-5-yl]-4-fluorophenyl]acetyl]pyridine-3-carbonitrile;2-[3-[(1R,5S,6R)-3-amino-5-ethyl-2-oxa-4-azabicyclo[4.1.0]hept-3-en-5-yl]-4-fluorophenyl]-1-(5-but-2-ynoxypyrazin-2-yl)ethanone;2-[3-[(1R,5S,6R)-3-amino-5-ethyl-2-oxa-4-azabicyclo[4.1.0]hept-3-en-5-yl]-4-fluorophenyl]-1-(3,5-dichloro-2-pyridinyl)ethanone;6-[2-[3-[(1R,5S,6R)-3-amino-5-(1-fluoroethyl)-2-oxa-4-azabicyclo[4.1.0]hept-3-en-5-yl]-4-fluoro-5-methylphenyl]acetyl]-5-chloropyridine-3-carbonitrile;6-[2-[3-[(1R,5S,6R)-3-amino-5-(1-fluoroethyl)-2-oxa-4-azabicyclo[4.1.0]hept-3-en-5-yl]-4-fluoro-5-methylphenyl]acetyl]-5-methylpyridine-3-carbonitrile;2-[3-[(1R,5S,6R)-3-amino-5-(1-fluoroethyl)-2-oxa-4-azabicyclo[4.1.0]hept-3-en-5-yl]-4-fluorophenyl]-1-(5-chloro-3-fluoro-2-pyridinyl)ethanone?

The canonical SMILES for 6-[2-[3-[(1R,5S,6R)-3-amino-5-ethyl-2-oxa-4-azabicyclo[4.1.0]hept-3-en-5-yl]-4-chlorophenyl]acetyl]-5-chloropyridine-3-carbonitrile;6-[2-[3-[(1R,5S,6R)-3-amino-5-ethyl-2-oxa-4-azabicyclo[4.1.0]hept-3-en-5-yl]-4-fluorophenyl]acetyl]pyridine-3-carbonitrile;2-[3-[(1R,5S,6R)-3-amino-5-ethyl-2-oxa-4-azabicyclo[4.1.0]hept-3-en-5-yl]-4-fluorophenyl]-1-(5-but-2-ynoxypyrazin-2-yl)ethanone;2-[3-[(1R,5S,6R)-3-amino-5-ethyl-2-oxa-4-azabicyclo[4.1.0]hept-3-en-5-yl]-4-fluorophenyl]-1-(3,5-dichloro-2-pyridinyl)ethanone;6-[2-[3-[(1R,5S,6R)-3-amino-5-(1-fluoroethyl)-2-oxa-4-azabicyclo[4.1.0]hept-3-en-5-yl]-4-fluoro-5-methylphenyl]acetyl]-5-chloropyridine-3-carbonitrile;6-[2-[3-[(1R,5S,6R)-3-amino-5-(1-fluoroethyl)-2-oxa-4-azabicyclo[4.1.0]hept-3-en-5-yl]-4-fluoro-5-methylphenyl]acetyl]-5-methylpyridine-3-carbonitrile;2-[3-[(1R,5S,6R)-3-amino-5-(1-fluoroethyl)-2-oxa-4-azabicyclo[4.1.0]hept-3-en-5-yl]-4-fluorophenyl]-1-(5-chloro-3-fluoro-2-pyridinyl)ethanone is CC#CCOc1cnc(C(=O)Cc2ccc(F)c([C@@]3(CC)N=C(N)O[C@@H]4C[C@@H]43)c2)cn1.CC(F)[C@]1(c2cc(CC(=O)c3ncc(Cl)cc3F)ccc2F)N=C(N)O[C@@H]2C[C@@H]21.CC[C@]1(c2cc(CC(=O)c3ccc(C#N)cn3)ccc2F)N=C(N)O[C@@H]2C[C@@H]21.CC[C@]1(c2cc(CC(=O)c3ncc(C#N)cc3Cl)ccc2Cl)N=C(N)O[C@@H]2C[C@@H]21.CC[C@]1(c2cc(CC(=O)c3ncc(Cl)cc3Cl)ccc2F)N=C(N)O[C@@H]2C[C@@H]21.Cc1cc(C#N)cnc1C(=O)Cc1cc(C)c(F)c([C@@]2(C(C)F)N=C(N)O[C@@H]3C[C@@H]32)c1.Cc1cc(CC(=O)c2ncc(C#N)cc2Cl)cc([C@@]2(C(C)F)N=C(N)O[C@@H]3C[C@@H]32)c1F.

What is the InChIKey of 6-[2-[3-[(1R,5S,6R)-3-amino-5-ethyl-2-oxa-4-azabicyclo[4.1.0]hept-3-en-5-yl]-4-chlorophenyl]acetyl]-5-chloropyridine-3-carbonitrile;6-[2-[3-[(1R,5S,6R)-3-amino-5-ethyl-2-oxa-4-azabicyclo[4.1.0]hept-3-en-5-yl]-4-fluorophenyl]acetyl]pyridine-3-carbonitrile;2-[3-[(1R,5S,6R)-3-amino-5-ethyl-2-oxa-4-azabicyclo[4.1.0]hept-3-en-5-yl]-4-fluorophenyl]-1-(5-but-2-ynoxypyrazin-2-yl)ethanone;2-[3-[(1R,5S,6R)-3-amino-5-ethyl-2-oxa-4-azabicyclo[4.1.0]hept-3-en-5-yl]-4-fluorophenyl]-1-(3,5-dichloro-2-pyridinyl)ethanone;6-[2-[3-[(1R,5S,6R)-3-amino-5-(1-fluoroethyl)-2-oxa-4-azabicyclo[4.1.0]hept-3-en-5-yl]-4-fluoro-5-methylphenyl]acetyl]-5-chloropyridine-3-carbonitrile;6-[2-[3-[(1R,5S,6R)-3-amino-5-(1-fluoroethyl)-2-oxa-4-azabicyclo[4.1.0]hept-3-en-5-yl]-4-fluoro-5-methylphenyl]acetyl]-5-methylpyridine-3-carbonitrile;2-[3-[(1R,5S,6R)-3-amino-5-(1-fluoroethyl)-2-oxa-4-azabicyclo[4.1.0]hept-3-en-5-yl]-4-fluorophenyl]-1-(5-chloro-3-fluoro-2-pyridinyl)ethanone?

The InChIKey is RQULFWKBLDSZMV-KVHOMWCYSA-N. The full InChI is InChI=1S/C23H22F2N4O2.C23H23FN4O3.C22H19ClF2N4O2.C21H18Cl2N4O2.C21H19FN4O2.C20H18Cl2FN3O2.C20H17ClF3N3O2/c1-11-4-14(7-18(30)21-12(2)5-15(9-26)10-28-21)6-17(20(11)25)23(13(3)24)16-8-19(16)31-22(27)29-23;1-3-5-8-30-21-13-26-18(12-27-21)19(29)10-14-6-7-17(24)15(9-14)23(4-2)16-11-20(16)31-22(25)28-23;1-10-3-12(6-17(30)20-16(23)5-13(8-26)9-28-20)4-15(19(10)25)22(11(2)24)14-7-18(14)31-21(27)29-22;1-2-21(14-8-18(14)29-20(25)27-21)13-5-11(3-4-15(13)22)7-17(28)19-16(23)6-12(9-24)10-26-19;1-2-21(15-9-19(15)28-20(24)26-21)14-7-12(3-5-16(14)22)8-18(27)17-6-4-13(10-23)11-25-17;1-2-20(13-8-17(13)28-19(24)26-20)12-5-10(3-4-15(12)23)6-16(27)18-14(22)7-11(21)9-25-18;1-9(22)20(13-7-17(13)29-19(25)27-20)12-4-10(2-3-14(12)23)5-16(28)18-15(24)6-11(21)8-26-18/h4-6,10,13,16,19H,7-8H2,1-3H3,(H2,27,29);6-7,9,12-13,16,20H,4,8,10-11H2,1-2H3,(H2,25,28);3-5,9,11,14,18H,6-7H2,1-2H3,(H2,27,29);3-6,10,14,18H,2,7-8H2,1H3,(H2,25,27);3-7,11,15,19H,2,8-9H2,1H3,(H2,24,26);3-5,7,9,13,17H,2,6,8H2,1H3,(H2,24,26);2-4,6,8-9,13,17H,5,7H2,1H3,(H2,25,27)/t13?,16-,19+,23-;16-,20+,23+;11?,14-,18+,22-;14-,18+,21+;15-,19+,21+;13-,17+,20+;9?,13-,17+,20+/m0000000/s1.

What are the key properties of 6-[2-[3-[(1R,5S,6R)-3-amino-5-ethyl-2-oxa-4-azabicyclo[4.1.0]hept-3-en-5-yl]-4-chlorophenyl]acetyl]-5-chloropyridine-3-carbonitrile;6-[2-[3-[(1R,5S,6R)-3-amino-5-ethyl-2-oxa-4-azabicyclo[4.1.0]hept-3-en-5-yl]-4-fluorophenyl]acetyl]pyridine-3-carbonitrile;2-[3-[(1R,5S,6R)-3-amino-5-ethyl-2-oxa-4-azabicyclo[4.1.0]hept-3-en-5-yl]-4-fluorophenyl]-1-(5-but-2-ynoxypyrazin-2-yl)ethanone;2-[3-[(1R,5S,6R)-3-amino-5-ethyl-2-oxa-4-azabicyclo[4.1.0]hept-3-en-5-yl]-4-fluorophenyl]-1-(3,5-dichloro-2-pyridinyl)ethanone;6-[2-[3-[(1R,5S,6R)-3-amino-5-(1-fluoroethyl)-2-oxa-4-azabicyclo[4.1.0]hept-3-en-5-yl]-4-fluoro-5-methylphenyl]acetyl]-5-chloropyridine-3-carbonitrile;6-[2-[3-[(1R,5S,6R)-3-amino-5-(1-fluoroethyl)-2-oxa-4-azabicyclo[4.1.0]hept-3-en-5-yl]-4-fluoro-5-methylphenyl]acetyl]-5-methylpyridine-3-carbonitrile;2-[3-[(1R,5S,6R)-3-amino-5-(1-fluoroethyl)-2-oxa-4-azabicyclo[4.1.0]hept-3-en-5-yl]-4-fluorophenyl]-1-(5-chloro-3-fluoro-2-pyridinyl)ethanone?

6-[2-[3-[(1R,5S,6R)-3-amino-5-ethyl-2-oxa-4-azabicyclo[4.1.0]hept-3-en-5-yl]-4-chlorophenyl]acetyl]-5-chloropyridine-3-carbonitrile;6-[2-[3-[(1R,5S,6R)-3-amino-5-ethyl-2-oxa-4-azabicyclo[4.1.0]hept-3-en-5-yl]-4-fluorophenyl]acetyl]pyridine-3-carbonitrile;2-[3-[(1R,5S,6R)-3-amino-5-ethyl-2-oxa-4-azabicyclo[4.1.0]hept-3-en-5-yl]-4-fluorophenyl]-1-(5-but-2-ynoxypyrazin-2-yl)ethanone;2-[3-[(1R,5S,6R)-3-amino-5-ethyl-2-oxa-4-azabicyclo[4.1.0]hept-3-en-5-yl]-4-fluorophenyl]-1-(3,5-dichloro-2-pyridinyl)ethanone;6-[2-[3-[(1R,5S,6R)-3-amino-5-(1-fluoroethyl)-2-oxa-4-azabicyclo[4.1.0]hept-3-en-5-yl]-4-fluoro-5-methylphenyl]acetyl]-5-chloropyridine-3-carbonitrile;6-[2-[3-[(1R,5S,6R)-3-amino-5-(1-fluoroethyl)-2-oxa-4-azabicyclo[4.1.0]hept-3-en-5-yl]-4-fluoro-5-methylphenyl]acetyl]-5-methylpyridine-3-carbonitrile;2-[3-[(1R,5S,6R)-3-amino-5-(1-fluoroethyl)-2-oxa-4-azabicyclo[4.1.0]hept-3-en-5-yl]-4-fluorophenyl]-1-(5-chloro-3-fluoro-2-pyridinyl)ethanone has a molecular weight of 2945.60 g/mol, XLogP of 24.87, 37 rotatable bonds, 7 hydrogen bond donors, and 41 hydrogen bond acceptors.

Where does this data come from?

All data for 6-[2-[3-[(1R,5S,6R)-3-amino-5-ethyl-2-oxa-4-azabicyclo[4.1.0]hept-3-en-5-yl]-4-chlorophenyl]acetyl]-5-chloropyridine-3-carbonitrile;6-[2-[3-[(1R,5S,6R)-3-amino-5-ethyl-2-oxa-4-azabicyclo[4.1.0]hept-3-en-5-yl]-4-fluorophenyl]acetyl]pyridine-3-carbonitrile;2-[3-[(1R,5S,6R)-3-amino-5-ethyl-2-oxa-4-azabicyclo[4.1.0]hept-3-en-5-yl]-4-fluorophenyl]-1-(5-but-2-ynoxypyrazin-2-yl)ethanone;2-[3-[(1R,5S,6R)-3-amino-5-ethyl-2-oxa-4-azabicyclo[4.1.0]hept-3-en-5-yl]-4-fluorophenyl]-1-(3,5-dichloro-2-pyridinyl)ethanone;6-[2-[3-[(1R,5S,6R)-3-amino-5-(1-fluoroethyl)-2-oxa-4-azabicyclo[4.1.0]hept-3-en-5-yl]-4-fluoro-5-methylphenyl]acetyl]-5-chloropyridine-3-carbonitrile;6-[2-[3-[(1R,5S,6R)-3-amino-5-(1-fluoroethyl)-2-oxa-4-azabicyclo[4.1.0]hept-3-en-5-yl]-4-fluoro-5-methylphenyl]acetyl]-5-methylpyridine-3-carbonitrile;2-[3-[(1R,5S,6R)-3-amino-5-(1-fluoroethyl)-2-oxa-4-azabicyclo[4.1.0]hept-3-en-5-yl]-4-fluorophenyl]-1-(5-chloro-3-fluoro-2-pyridinyl)ethanone is sourced from PubChem (CID 160702492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).