N-[[(3S,3aS)-6-[6-[(1R,5S)-6-cyano-3-azabicyclo[3.1.0]hexan-6-yl]-3-pyridinyl]-7-fluoro-1-oxo-3a,4-dihydro-3H-[1,3]oxazolo[3,4-a]indol-3-yl]methyl]acetamide;N-[[(3S,3aS)-6-[6-[(1R,5S)-6-cyano-6-bicyclo[3.1.0]hexanyl]-3-pyridinyl]-7-fluoro-1-oxo-3a,4-dihydro-3H-[1,3]oxazolo[3,4-a]indol-3-yl]methyl]acetamide;N-[[(3S,3aS)-6-[6-[(1R,5S)-6-cyano-3-oxabicyclo[3.1.0]hexan-6-yl]-3-pyridinyl]-7-fluoro-1-oxo-3a,4-dihydro-3H-[1,3]oxazolo[3,4-a]indol-3-yl]methyl]acetamide;(1S,5R)-6-[5-[(3S,3aS)-7-fluoro-1-oxo-3-(triazol-1-ylmethyl)-3a,4-dihydro-3H-[1,3]oxazolo[3,4-a]indol-6-yl]-2-pyridinyl]-3-azabicyclo[3.1.0]hexane-6-carbonitrile;(1R,5S)-6-[5-[(3S,3aS)-7-fluoro-1-oxo-3-(triazol-1-ylmethyl)-3a,4-dihydro-3H-[1,3]oxazolo[3,4-a]indol-6-yl]-2-pyridinyl]bicyclo[3.1.0]hexane-6-carbonitrile;(1R,5S)-6-[5-[(3S,3aS)-7-fluoro-1-oxo-3-(triazol-1-ylmethyl)-3a,4-dihydro-3H-[1,3]oxazolo[3,4-a]indol-6-yl]-2-pyridinyl]-3-oxabicyclo[3.1.0]hexane-6-carbonitrile;methyl 3-[(3S,3aS)-6-[6-[(1S,5R)-6-cyano-3-azabicyclo[3.1.0]hexan-6-yl]-3-pyridinyl]-7-fluoro-1-oxo-3a,4-dihydro-3H-[1,3]oxazolo[3,4-a]indol-3-yl]propanoate;methyl 3-[(3S,3aS)-6-[6-[(1R,5S)-6-cyano-6-bicyclo[3.1.0]hexanyl]-3-pyridinyl]-7-fluoro-1-oxo-3a,4-dihydro-3H-[1,3]oxazolo[3,4-a]indol-3-yl]propanoate;methyl 3-[(3S,3aS)-6-[6-[(1S,5R)-6-cyano-3-oxabicyclo[3.1.0]hexan-6-yl]-3-pyridinyl]-7-fluoro-1-oxo-3a,4-dihydro-3H-[1,3]oxazolo[3,4-a]indol-3-yl]propanoate

C222H195F9N42O30 — CID 158315516

IUPACN-[[(3S,3aS)-6-[6-[(1R,5S)-6-cyano-3-azabicyclo[3.1.0]hexan-6-yl]-3-pyridinyl]-7-fluoro-1-oxo-3a,4-dihydro-3H-[1,3]oxazolo[3,4-a]indol-3-yl]methyl]acetamide;N-[[(3S,3aS)-6-[6-[(1R,5S)-6-cyano-6-bicyclo[3.1.0]hexanyl]-3-pyridinyl]-7-fluoro-1-oxo-3a,4-dihydro-3H-[1,3]oxazolo[3,4-a]indol-3-yl]methyl]acetamide;N-[[(3S,3aS)-6-[6-[(1R,5S)-6-cyano-3-oxabicyclo[3.1.0]hexan-6-yl]-3-pyridinyl]-7-fluoro-1-oxo-3a,4-dihydro-3H-[1,3]oxazolo[3,4-a]indol-3-yl]methyl]acetamide;(1S,5R)-6-[5-[(3S,3aS)-7-fluoro-1-oxo-3-(triazol-1-ylmethyl)-3a,4-dihydro-3H-[1,3]oxazolo[3,4-a]indol-6-yl]-2-pyridinyl]-3-azabicyclo[3.1.0]hexane-6-carbonitrile;(1R,5S)-6-[5-[(3S,3aS)-7-fluoro-1-oxo-3-(triazol-1-ylmethyl)-3a,4-dihydro-3H-[1,3]oxazolo[3,4-a]indol-6-yl]-2-pyridinyl]bicyclo[3.1.0]hexane-6-carbonitrile;(1R,5S)-6-[5-[(3S,3aS)-7-fluoro-1-oxo-3-(triazol-1-ylmethyl)-3a,4-dihydro-3H-[1,3]oxazolo[3,4-a]indol-6-yl]-2-pyridinyl]-3-oxabicyclo[3.1.0]hexane-6-carbonitrile;methyl 3-[(3S,3aS)-6-[6-[(1S,5R)-6-cyano-3-azabicyclo[3.1.0]hexan-6-yl]-3-pyridinyl]-7-fluoro-1-oxo-3a,4-dihydro-3H-[1,3]oxazolo[3,4-a]indol-3-yl]propanoate;methyl 3-[(3S,3aS)-6-[6-[(1R,5S)-6-cyano-6-bicyclo[3.1.0]hexanyl]-3-pyridinyl]-7-fluoro-1-oxo-3a,4-dihydro-3H-[1,3]oxazolo[3,4-a]indol-3-yl]propanoate;methyl 3-[(3S,3aS)-6-[6-[(1S,5R)-6-cyano-3-oxabicyclo[3.1.0]hexan-6-yl]-3-pyridinyl]-7-fluoro-1-oxo-3a,4-dihydro-3H-[1,3]oxazolo[3,4-a]indol-3-yl]propanoate
SMILESCC(=O)NC[C@@H]1OC(=O)N2c3cc(F)c(-c4ccc(C5(C#N)[C@@H]6CCC[C@@H]65)nc4)cc3C[C@@H]12.CC(=O)NC[C@@H]1OC(=O)N2c3cc(F)c(-c4ccc(C5(C#N)[C@@H]6CNC[C@@H]65)nc4)cc3C[C@@H]12.CC(=O)NC[C@@H]1OC(=O)N2c3cc(F)c(-c4ccc(C5(C#N)[C@@H]6COC[C@@H]65)nc4)cc3C[C@@H]12.COC(=O)CC[C@@H]1OC(=O)N2c3cc(F)c(-c4ccc(C5(C#N)[C@@H]6CCC[C@@H]65)nc4)cc3C[C@@H]12.COC(=O)CC[C@@H]1OC(=O)N2c3cc(F)c(-c4ccc(C5(C#N)[C@@H]6CNC[C@@H]65)nc4)cc3C[C@@H]12.COC(=O)CC[C@@H]1OC(=O)N2c3cc(F)c(-c4ccc(C5(C#N)[C@@H]6COC[C@@H]65)nc4)cc3C[C@@H]12.N#CC1(c2ccc(-c3cc4c(cc3F)N3C(=O)O[C@@H](Cn5ccnn5)[C@@H]3C4)cn2)[C@@H]2CCC[C@@H]21.N#CC1(c2ccc(-c3cc4c(cc3F)N3C(=O)O[C@@H](Cn5ccnn5)[C@@H]3C4)cn2)[C@@H]2CNC[C@@H]21.N#CC1(c2ccc(-c3cc4c(cc3F)N3C(=O)O[C@@H](Cn5ccnn5)[C@@H]3C4)cn2)[C@@H]2COC[C@@H]21
InChIInChI=1S/C26H24FN3O4.C25H21FN6O2.C25H23FN4O4.C25H23FN4O3.C25H22FN3O5.C24H20FN7O2.C24H19FN6O3.C24H22FN5O3.C24H21FN4O4/c1-33-24(31)8-6-22-21-10-15-9-16(19(27)11-20(15)30(21)25(32)34-22)14-5-7-23(29-12-14)26(13-28)17-3-2-4-18(17)26;26-19-10-20-15(9-21-22(34-24(33)32(20)21)12-31-7-6-29-30-31)8-16(19)14-4-5-23(28-11-14)25(13-27)17-2-1-3-18(17)25;1-33-23(31)5-3-21-20-7-14-6-15(18(26)8-19(14)30(20)24(32)34-21)13-2-4-22(29-9-13)25(12-27)16-10-28-11-17(16)25;1-13(31)28-11-22-21-8-15-7-16(19(26)9-20(15)30(21)24(32)33-22)14-5-6-23(29-10-14)25(12-27)17-3-2-4-18(17)25;1-32-23(30)5-3-21-20-7-14-6-15(18(26)8-19(14)29(20)24(31)34-21)13-2-4-22(28-9-13)25(12-27)16-10-33-11-17(16)25;25-18-7-19-14(6-20-21(34-23(33)32(19)20)11-31-4-3-29-30-31)5-15(18)13-1-2-22(28-8-13)24(12-26)16-9-27-10-17(16)24;25-18-7-19-14(6-20-21(34-23(32)31(19)20)9-30-4-3-28-29-30)5-15(18)13-1-2-22(27-8-13)24(12-26)16-10-33-11-17(16)24;1-12(31)28-10-21-20-5-14-4-15(18(25)6-19(14)30(20)23(32)33-21)13-2-3-22(29-7-13)24(11-26)16-8-27-9-17(16)24;1-12(30)27-8-21-20-5-14-4-15(18(25)6-19(14)29(20)23(31)33-21)13-2-3-22(28-7-13)24(11-26)16-9-32-10-17(16)24/h5,7,9,11-12,17-18,21-22H,2-4,6,8,10H2,1H3;4-8,10-11,17-18,21-22H,1-3,9,12H2;2,4,6,8-9,16-17,20-21,28H,3,5,7,10-11H2,1H3;5-7,9-10,17-18,21-22H,2-4,8,11H2,1H3,(H,28,31);2,4,6,8-9,16-17,20-21H,3,5,7,10-11H2,1H3;1-5,7-8,16-17,20-21,27H,6,9-11H2;1-5,7-8,16-17,20-21H,6,9-11H2;2-4,6-7,16-17,20-21,27H,5,8-10H2,1H3,(H,28,31);2-4,6-7,16-17,20-21H,5,8-10H2,1H3,(H,27,30)/t17-,18+,21-,22-,26?;17-,18+,21-,22-,25?;16-,17+,20-,21-,25?;17-,18+,21-,22-,25?;16-,17+,20-,21-,25?;4*16-,17+,20-,21-,24?/m000000000/s1
InChIKeyGOFDPLYQKUJIOH-OJWRIHDPSA-N
MW4102.25 g/mol
LogP25.90
Rot. Bonds39

About N-[[(3S,3aS)-6-[6-[(1R,5S)-6-cyano-3-azabicyclo[3.1.0]hexan-6-yl]-3-pyridinyl]-7-fluoro-1-oxo-3a,4-dihydro-3H-[1,3]oxazolo[3,4-a]indol-3-yl]methyl]acetamide;N-[[(3S,3aS)-6-[6-[(1R,5S)-6-cyano-6-bicyclo[3.1.0]hexanyl]-3-pyridinyl]-7-fluoro-1-oxo-3a,4-dihydro-3H-[1,3]oxazolo[3,4-a]indol-3-yl]methyl]acetamide;N-[[(3S,3aS)-6-[6-[(1R,5S)-6-cyano-3-oxabicyclo[3.1.0]hexan-6-yl]-3-pyridinyl]-7-fluoro-1-oxo-3a,4-dihydro-3H-[1,3]oxazolo[3,4-a]indol-3-yl]methyl]acetamide;(1S,5R)-6-[5-[(3S,3aS)-7-fluoro-1-oxo-3-(triazol-1-ylmethyl)-3a,4-dihydro-3H-[1,3]oxazolo[3,4-a]indol-6-yl]-2-pyridinyl]-3-azabicyclo[3.1.0]hexane-6-carbonitrile;(1R,5S)-6-[5-[(3S,3aS)-7-fluoro-1-oxo-3-(triazol-1-ylmethyl)-3a,4-dihydro-3H-[1,3]oxazolo[3,4-a]indol-6-yl]-2-pyridinyl]bicyclo[3.1.0]hexane-6-carbonitrile;(1R,5S)-6-[5-[(3S,3aS)-7-fluoro-1-oxo-3-(triazol-1-ylmethyl)-3a,4-dihydro-3H-[1,3]oxazolo[3,4-a]indol-6-yl]-2-pyridinyl]-3-oxabicyclo[3.1.0]hexane-6-carbonitrile;methyl 3-[(3S,3aS)-6-[6-[(1S,5R)-6-cyano-3-azabicyclo[3.1.0]hexan-6-yl]-3-pyridinyl]-7-fluoro-1-oxo-3a,4-dihydro-3H-[1,3]oxazolo[3,4-a]indol-3-yl]propanoate;methyl 3-[(3S,3aS)-6-[6-[(1R,5S)-6-cyano-6-bicyclo[3.1.0]hexanyl]-3-pyridinyl]-7-fluoro-1-oxo-3a,4-dihydro-3H-[1,3]oxazolo[3,4-a]indol-3-yl]propanoate;methyl 3-[(3S,3aS)-6-[6-[(1S,5R)-6-cyano-3-oxabicyclo[3.1.0]hexan-6-yl]-3-pyridinyl]-7-fluoro-1-oxo-3a,4-dihydro-3H-[1,3]oxazolo[3,4-a]indol-3-yl]propanoate

N-[[(3S,3aS)-6-[6-[(1R,5S)-6-cyano-3-azabicyclo[3.1.0]hexan-6-yl]-3-pyridinyl]-7-fluoro-1-oxo-3a,4-dihydro-3H-[1,3]oxazolo[3,4-a]indol-3-yl]methyl]acetamide;N-[[(3S,3aS)-6-[6-[(1R,5S)-6-cyano-6-bicyclo[3.1.0]hexanyl]-3-pyridinyl]-7-fluoro-1-oxo-3a,4-dihydro-3H-[1,3]oxazolo[3,4-a]indol-3-yl]methyl]acetamide;N-[[(3S,3aS)-6-[6-[(1R,5S)-6-cyano-3-oxabicyclo[3.1.0]hexan-6-yl]-3-pyridinyl]-7-fluoro-1-oxo-3a,4-dihydro-3H-[1,3]oxazolo[3,4-a]indol-3-yl]methyl]acetamide;(1S,5R)-6-[5-[(3S,3aS)-7-fluoro-1-oxo-3-(triazol-1-ylmethyl)-3a,4-dihydro-3H-[1,3]oxazolo[3,4-a]indol-6-yl]-2-pyridinyl]-3-azabicyclo[3.1.0]hexane-6-carbonitrile;(1R,5S)-6-[5-[(3S,3aS)-7-fluoro-1-oxo-3-(triazol-1-ylmethyl)-3a,4-dihydro-3H-[1,3]oxazolo[3,4-a]indol-6-yl]-2-pyridinyl]bicyclo[3.1.0]hexane-6-carbonitrile;(1R,5S)-6-[5-[(3S,3aS)-7-fluoro-1-oxo-3-(triazol-1-ylmethyl)-3a,4-dihydro-3H-[1,3]oxazolo[3,4-a]indol-6-yl]-2-pyridinyl]-3-oxabicyclo[3.1.0]hexane-6-carbonitrile;methyl 3-[(3S,3aS)-6-[6-[(1S,5R)-6-cyano-3-azabicyclo[3.1.0]hexan-6-yl]-3-pyridinyl]-7-fluoro-1-oxo-3a,4-dihydro-3H-[1,3]oxazolo[3,4-a]indol-3-yl]propanoate;methyl 3-[(3S,3aS)-6-[6-[(1R,5S)-6-cyano-6-bicyclo[3.1.0]hexanyl]-3-pyridinyl]-7-fluoro-1-oxo-3a,4-dihydro-3H-[1,3]oxazolo[3,4-a]indol-3-yl]propanoate;methyl 3-[(3S,3aS)-6-[6-[(1S,5R)-6-cyano-3-oxabicyclo[3.1.0]hexan-6-yl]-3-pyridinyl]-7-fluoro-1-oxo-3a,4-dihydro-3H-[1,3]oxazolo[3,4-a]indol-3-yl]propanoate (PubChem CID 158315516) has the molecular formula C222H195F9N42O30 and a molecular weight of 4102.25 g/mol. Its IUPAC name is N-[[(3S,3aS)-6-[6-[(1R,5S)-6-cyano-3-azabicyclo[3.1.0]hexan-6-yl]-3-pyridinyl]-7-fluoro-1-oxo-3a,4-dihydro-3H-[1,3]oxazolo[3,4-a]indol-3-yl]methyl]acetamide;N-[[(3S,3aS)-6-[6-[(1R,5S)-6-cyano-6-bicyclo[3.1.0]hexanyl]-3-pyridinyl]-7-fluoro-1-oxo-3a,4-dihydro-3H-[1,3]oxazolo[3,4-a]indol-3-yl]methyl]acetamide;N-[[(3S,3aS)-6-[6-[(1R,5S)-6-cyano-3-oxabicyclo[3.1.0]hexan-6-yl]-3-pyridinyl]-7-fluoro-1-oxo-3a,4-dihydro-3H-[1,3]oxazolo[3,4-a]indol-3-yl]methyl]acetamide;(1S,5R)-6-[5-[(3S,3aS)-7-fluoro-1-oxo-3-(triazol-1-ylmethyl)-3a,4-dihydro-3H-[1,3]oxazolo[3,4-a]indol-6-yl]-2-pyridinyl]-3-azabicyclo[3.1.0]hexane-6-carbonitrile;(1R,5S)-6-[5-[(3S,3aS)-7-fluoro-1-oxo-3-(triazol-1-ylmethyl)-3a,4-dihydro-3H-[1,3]oxazolo[3,4-a]indol-6-yl]-2-pyridinyl]bicyclo[3.1.0]hexane-6-carbonitrile;(1R,5S)-6-[5-[(3S,3aS)-7-fluoro-1-oxo-3-(triazol-1-ylmethyl)-3a,4-dihydro-3H-[1,3]oxazolo[3,4-a]indol-6-yl]-2-pyridinyl]-3-oxabicyclo[3.1.0]hexane-6-carbonitrile;methyl 3-[(3S,3aS)-6-[6-[(1S,5R)-6-cyano-3-azabicyclo[3.1.0]hexan-6-yl]-3-pyridinyl]-7-fluoro-1-oxo-3a,4-dihydro-3H-[1,3]oxazolo[3,4-a]indol-3-yl]propanoate;methyl 3-[(3S,3aS)-6-[6-[(1R,5S)-6-cyano-6-bicyclo[3.1.0]hexanyl]-3-pyridinyl]-7-fluoro-1-oxo-3a,4-dihydro-3H-[1,3]oxazolo[3,4-a]indol-3-yl]propanoate;methyl 3-[(3S,3aS)-6-[6-[(1S,5R)-6-cyano-3-oxabicyclo[3.1.0]hexan-6-yl]-3-pyridinyl]-7-fluoro-1-oxo-3a,4-dihydro-3H-[1,3]oxazolo[3,4-a]indol-3-yl]propanoate.

Molecular Properties

Compound NameN-[[(3S,3aS)-6-[6-[(1R,5S)-6-cyano-3-azabicyclo[3.1.0]hexan-6-yl]-3-pyridinyl]-7-fluoro-1-oxo-3a,4-dihydro-3H-[1,3]oxazolo[3,4-a]indol-3-yl]methyl]acetamide;N-[[(3S,3aS)-6-[6-[(1R,5S)-6-cyano-6-bicyclo[3.1.0]hexanyl]-3-pyridinyl]-7-fluoro-1-oxo-3a,4-dihydro-3H-[1,3]oxazolo[3,4-a]indol-3-yl]methyl]acetamide;N-[[(3S,3aS)-6-[6-[(1R,5S)-6-cyano-3-oxabicyclo[3.1.0]hexan-6-yl]-3-pyridinyl]-7-fluoro-1-oxo-3a,4-dihydro-3H-[1,3]oxazolo[3,4-a]indol-3-yl]methyl]acetamide;(1S,5R)-6-[5-[(3S,3aS)-7-fluoro-1-oxo-3-(triazol-1-ylmethyl)-3a,4-dihydro-3H-[1,3]oxazolo[3,4-a]indol-6-yl]-2-pyridinyl]-3-azabicyclo[3.1.0]hexane-6-carbonitrile;(1R,5S)-6-[5-[(3S,3aS)-7-fluoro-1-oxo-3-(triazol-1-ylmethyl)-3a,4-dihydro-3H-[1,3]oxazolo[3,4-a]indol-6-yl]-2-pyridinyl]bicyclo[3.1.0]hexane-6-carbonitrile;(1R,5S)-6-[5-[(3S,3aS)-7-fluoro-1-oxo-3-(triazol-1-ylmethyl)-3a,4-dihydro-3H-[1,3]oxazolo[3,4-a]indol-6-yl]-2-pyridinyl]-3-oxabicyclo[3.1.0]hexane-6-carbonitrile;methyl 3-[(3S,3aS)-6-[6-[(1S,5R)-6-cyano-3-azabicyclo[3.1.0]hexan-6-yl]-3-pyridinyl]-7-fluoro-1-oxo-3a,4-dihydro-3H-[1,3]oxazolo[3,4-a]indol-3-yl]propanoate;methyl 3-[(3S,3aS)-6-[6-[(1R,5S)-6-cyano-6-bicyclo[3.1.0]hexanyl]-3-pyridinyl]-7-fluoro-1-oxo-3a,4-dihydro-3H-[1,3]oxazolo[3,4-a]indol-3-yl]propanoate;methyl 3-[(3S,3aS)-6-[6-[(1S,5R)-6-cyano-3-oxabicyclo[3.1.0]hexan-6-yl]-3-pyridinyl]-7-fluoro-1-oxo-3a,4-dihydro-3H-[1,3]oxazolo[3,4-a]indol-3-yl]propanoate
PubChem CID158315516
Molecular FormulaC222H195F9N42O30
Molecular Weight4102.25 g/mol
Exact Mass4099.49
IUPAC NameN-[[(3S,3aS)-6-[6-[(1R,5S)-6-cyano-3-azabicyclo[3.1.0]hexan-6-yl]-3-pyridinyl]-7-fluoro-1-oxo-3a,4-dihydro-3H-[1,3]oxazolo[3,4-a]indol-3-yl]methyl]acetamide;N-[[(3S,3aS)-6-[6-[(1R,5S)-6-cyano-6-bicyclo[3.1.0]hexanyl]-3-pyridinyl]-7-fluoro-1-oxo-3a,4-dihydro-3H-[1,3]oxazolo[3,4-a]indol-3-yl]methyl]acetamide;N-[[(3S,3aS)-6-[6-[(1R,5S)-6-cyano-3-oxabicyclo[3.1.0]hexan-6-yl]-3-pyridinyl]-7-fluoro-1-oxo-3a,4-dihydro-3H-[1,3]oxazolo[3,4-a]indol-3-yl]methyl]acetamide;(1S,5R)-6-[5-[(3S,3aS)-7-fluoro-1-oxo-3-(triazol-1-ylmethyl)-3a,4-dihydro-3H-[1,3]oxazolo[3,4-a]indol-6-yl]-2-pyridinyl]-3-azabicyclo[3.1.0]hexane-6-carbonitrile;(1R,5S)-6-[5-[(3S,3aS)-7-fluoro-1-oxo-3-(triazol-1-ylmethyl)-3a,4-dihydro-3H-[1,3]oxazolo[3,4-a]indol-6-yl]-2-pyridinyl]bicyclo[3.1.0]hexane-6-carbonitrile;(1R,5S)-6-[5-[(3S,3aS)-7-fluoro-1-oxo-3-(triazol-1-ylmethyl)-3a,4-dihydro-3H-[1,3]oxazolo[3,4-a]indol-6-yl]-2-pyridinyl]-3-oxabicyclo[3.1.0]hexane-6-carbonitrile;methyl 3-[(3S,3aS)-6-[6-[(1S,5R)-6-cyano-3-azabicyclo[3.1.0]hexan-6-yl]-3-pyridinyl]-7-fluoro-1-oxo-3a,4-dihydro-3H-[1,3]oxazolo[3,4-a]indol-3-yl]propanoate;methyl 3-[(3S,3aS)-6-[6-[(1R,5S)-6-cyano-6-bicyclo[3.1.0]hexanyl]-3-pyridinyl]-7-fluoro-1-oxo-3a,4-dihydro-3H-[1,3]oxazolo[3,4-a]indol-3-yl]propanoate;methyl 3-[(3S,3aS)-6-[6-[(1S,5R)-6-cyano-3-oxabicyclo[3.1.0]hexan-6-yl]-3-pyridinyl]-7-fluoro-1-oxo-3a,4-dihydro-3H-[1,3]oxazolo[3,4-a]indol-3-yl]propanoate
SMILESCC(=O)NC[C@@H]1OC(=O)N2c3cc(F)c(-c4ccc(C5(C#N)[C@@H]6CCC[C@@H]65)nc4)cc3C[C@@H]12.CC(=O)NC[C@@H]1OC(=O)N2c3cc(F)c(-c4ccc(C5(C#N)[C@@H]6CNC[C@@H]65)nc4)cc3C[C@@H]12.CC(=O)NC[C@@H]1OC(=O)N2c3cc(F)c(-c4ccc(C5(C#N)[C@@H]6COC[C@@H]65)nc4)cc3C[C@@H]12.COC(=O)CC[C@@H]1OC(=O)N2c3cc(F)c(-c4ccc(C5(C#N)[C@@H]6CCC[C@@H]65)nc4)cc3C[C@@H]12.COC(=O)CC[C@@H]1OC(=O)N2c3cc(F)c(-c4ccc(C5(C#N)[C@@H]6CNC[C@@H]65)nc4)cc3C[C@@H]12.COC(=O)CC[C@@H]1OC(=O)N2c3cc(F)c(-c4ccc(C5(C#N)[C@@H]6COC[C@@H]65)nc4)cc3C[C@@H]12.N#CC1(c2ccc(-c3cc4c(cc3F)N3C(=O)O[C@@H](Cn5ccnn5)[C@@H]3C4)cn2)[C@@H]2CCC[C@@H]21.N#CC1(c2ccc(-c3cc4c(cc3F)N3C(=O)O[C@@H](Cn5ccnn5)[C@@H]3C4)cn2)[C@@H]2CNC[C@@H]21.N#CC1(c2ccc(-c3cc4c(cc3F)N3C(=O)O[C@@H](Cn5ccnn5)[C@@H]3C4)cn2)[C@@H]2COC[C@@H]21
InChIInChI=1S/C26H24FN3O4.C25H21FN6O2.C25H23FN4O4.C25H23FN4O3.C25H22FN3O5.C24H20FN7O2.C24H19FN6O3.C24H22FN5O3.C24H21FN4O4/c1-33-24(31)8-6-22-21-10-15-9-16(19(27)11-20(15)30(21)25(32)34-22)14-5-7-23(29-12-14)26(13-28)17-3-2-4-18(17)26;26-19-10-20-15(9-21-22(34-24(33)32(20)21)12-31-7-6-29-30-31)8-16(19)14-4-5-23(28-11-14)25(13-27)17-2-1-3-18(17)25;1-33-23(31)5-3-21-20-7-14-6-15(18(26)8-19(14)30(20)24(32)34-21)13-2-4-22(29-9-13)25(12-27)16-10-28-11-17(16)25;1-13(31)28-11-22-21-8-15-7-16(19(26)9-20(15)30(21)24(32)33-22)14-5-6-23(29-10-14)25(12-27)17-3-2-4-18(17)25;1-32-23(30)5-3-21-20-7-14-6-15(18(26)8-19(14)29(20)24(31)34-21)13-2-4-22(28-9-13)25(12-27)16-10-33-11-17(16)25;25-18-7-19-14(6-20-21(34-23(33)32(19)20)11-31-4-3-29-30-31)5-15(18)13-1-2-22(28-8-13)24(12-26)16-9-27-10-17(16)24;25-18-7-19-14(6-20-21(34-23(32)31(19)20)9-30-4-3-28-29-30)5-15(18)13-1-2-22(27-8-13)24(12-26)16-10-33-11-17(16)24;1-12(31)28-10-21-20-5-14-4-15(18(25)6-19(14)30(20)23(32)33-21)13-2-3-22(29-7-13)24(11-26)16-8-27-9-17(16)24;1-12(30)27-8-21-20-5-14-4-15(18(25)6-19(14)29(20)23(31)33-21)13-2-3-22(28-7-13)24(11-26)16-9-32-10-17(16)24/h5,7,9,11-12,17-18,21-22H,2-4,6,8,10H2,1H3;4-8,10-11,17-18,21-22H,1-3,9,12H2;2,4,6,8-9,16-17,20-21,28H,3,5,7,10-11H2,1H3;5-7,9-10,17-18,21-22H,2-4,8,11H2,1H3,(H,28,31);2,4,6,8-9,16-17,20-21H,3,5,7,10-11H2,1H3;1-5,7-8,16-17,20-21,27H,6,9-11H2;1-5,7-8,16-17,20-21H,6,9-11H2;2-4,6-7,16-17,20-21,27H,5,8-10H2,1H3,(H,28,31);2-4,6-7,16-17,20-21H,5,8-10H2,1H3,(H,27,30)/t17-,18+,21-,22-,26?;17-,18+,21-,22-,25?;16-,17+,20-,21-,25?;17-,18+,21-,22-,25?;16-,17+,20-,21-,25?;4*16-,17+,20-,21-,24?/m000000000/s1
InChIKeyGOFDPLYQKUJIOH-OJWRIHDPSA-N
XLogP25.90
TPSA918.09 Ų
H-Bond Donors6
H-Bond Acceptors60
Rotatable Bonds39
Heavy Atoms303
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5004102.25
LogP ≤ 525.90
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1060

Analyze N-[[(3S,3aS)-6-[6-[(1R,5S)-6-cyano-3-azabicyclo[3.1.0]hexan-6-yl]-3-pyridinyl]-7-fluoro-1-oxo-3a,4-dihydro-3H-[1,3]oxazolo[3,4-a]indol-3-yl]methyl]acetamide;N-[[(3S,3aS)-6-[6-[(1R,5S)-6-cyano-6-bicyclo[3.1.0]hexanyl]-3-pyridinyl]-7-fluoro-1-oxo-3a,4-dihydro-3H-[1,3]oxazolo[3,4-a]indol-3-yl]methyl]acetamide;N-[[(3S,3aS)-6-[6-[(1R,5S)-6-cyano-3-oxabicyclo[3.1.0]hexan-6-yl]-3-pyridinyl]-7-fluoro-1-oxo-3a,4-dihydro-3H-[1,3]oxazolo[3,4-a]indol-3-yl]methyl]acetamide;(1S,5R)-6-[5-[(3S,3aS)-7-fluoro-1-oxo-3-(triazol-1-ylmethyl)-3a,4-dihydro-3H-[1,3]oxazolo[3,4-a]indol-6-yl]-2-pyridinyl]-3-azabicyclo[3.1.0]hexane-6-carbonitrile;(1R,5S)-6-[5-[(3S,3aS)-7-fluoro-1-oxo-3-(triazol-1-ylmethyl)-3a,4-dihydro-3H-[1,3]oxazolo[3,4-a]indol-6-yl]-2-pyridinyl]bicyclo[3.1.0]hexane-6-carbonitrile;(1R,5S)-6-[5-[(3S,3aS)-7-fluoro-1-oxo-3-(triazol-1-ylmethyl)-3a,4-dihydro-3H-[1,3]oxazolo[3,4-a]indol-6-yl]-2-pyridinyl]-3-oxabicyclo[3.1.0]hexane-6-carbonitrile;methyl 3-[(3S,3aS)-6-[6-[(1S,5R)-6-cyano-3-azabicyclo[3.1.0]hexan-6-yl]-3-pyridinyl]-7-fluoro-1-oxo-3a,4-dihydro-3H-[1,3]oxazolo[3,4-a]indol-3-yl]propanoate;methyl 3-[(3S,3aS)-6-[6-[(1R,5S)-6-cyano-6-bicyclo[3.1.0]hexanyl]-3-pyridinyl]-7-fluoro-1-oxo-3a,4-dihydro-3H-[1,3]oxazolo[3,4-a]indol-3-yl]propanoate;methyl 3-[(3S,3aS)-6-[6-[(1S,5R)-6-cyano-3-oxabicyclo[3.1.0]hexan-6-yl]-3-pyridinyl]-7-fluoro-1-oxo-3a,4-dihydro-3H-[1,3]oxazolo[3,4-a]indol-3-yl]propanoate with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[[(3S,3aS)-6-[6-[(1R,5S)-6-cyano-3-azabicyclo[3.1.0]hexan-6-yl]-3-pyridinyl]-7-fluoro-1-oxo-3a,4-dihydro-3H-[1,3]oxazolo[3,4-a]indol-3-yl]methyl]acetamide;N-[[(3S,3aS)-6-[6-[(1R,5S)-6-cyano-6-bicyclo[3.1.0]hexanyl]-3-pyridinyl]-7-fluoro-1-oxo-3a,4-dihydro-3H-[1,3]oxazolo[3,4-a]indol-3-yl]methyl]acetamide;N-[[(3S,3aS)-6-[6-[(1R,5S)-6-cyano-3-oxabicyclo[3.1.0]hexan-6-yl]-3-pyridinyl]-7-fluoro-1-oxo-3a,4-dihydro-3H-[1,3]oxazolo[3,4-a]indol-3-yl]methyl]acetamide;(1S,5R)-6-[5-[(3S,3aS)-7-fluoro-1-oxo-3-(triazol-1-ylmethyl)-3a,4-dihydro-3H-[1,3]oxazolo[3,4-a]indol-6-yl]-2-pyridinyl]-3-azabicyclo[3.1.0]hexane-6-carbonitrile;(1R,5S)-6-[5-[(3S,3aS)-7-fluoro-1-oxo-3-(triazol-1-ylmethyl)-3a,4-dihydro-3H-[1,3]oxazolo[3,4-a]indol-6-yl]-2-pyridinyl]bicyclo[3.1.0]hexane-6-carbonitrile;(1R,5S)-6-[5-[(3S,3aS)-7-fluoro-1-oxo-3-(triazol-1-ylmethyl)-3a,4-dihydro-3H-[1,3]oxazolo[3,4-a]indol-6-yl]-2-pyridinyl]-3-oxabicyclo[3.1.0]hexane-6-carbonitrile;methyl 3-[(3S,3aS)-6-[6-[(1S,5R)-6-cyano-3-azabicyclo[3.1.0]hexan-6-yl]-3-pyridinyl]-7-fluoro-1-oxo-3a,4-dihydro-3H-[1,3]oxazolo[3,4-a]indol-3-yl]propanoate;methyl 3-[(3S,3aS)-6-[6-[(1R,5S)-6-cyano-6-bicyclo[3.1.0]hexanyl]-3-pyridinyl]-7-fluoro-1-oxo-3a,4-dihydro-3H-[1,3]oxazolo[3,4-a]indol-3-yl]propanoate;methyl 3-[(3S,3aS)-6-[6-[(1S,5R)-6-cyano-3-oxabicyclo[3.1.0]hexan-6-yl]-3-pyridinyl]-7-fluoro-1-oxo-3a,4-dihydro-3H-[1,3]oxazolo[3,4-a]indol-3-yl]propanoate?
The IUPAC name of N-[[(3S,3aS)-6-[6-[(1R,5S)-6-cyano-3-azabicyclo[3.1.0]hexan-6-yl]-3-pyridinyl]-7-fluoro-1-oxo-3a,4-dihydro-3H-[1,3]oxazolo[3,4-a]indol-3-yl]methyl]acetamide;N-[[(3S,3aS)-6-[6-[(1R,5S)-6-cyano-6-bicyclo[3.1.0]hexanyl]-3-pyridinyl]-7-fluoro-1-oxo-3a,4-dihydro-3H-[1,3]oxazolo[3,4-a]indol-3-yl]methyl]acetamide;N-[[(3S,3aS)-6-[6-[(1R,5S)-6-cyano-3-oxabicyclo[3.1.0]hexan-6-yl]-3-pyridinyl]-7-fluoro-1-oxo-3a,4-dihydro-3H-[1,3]oxazolo[3,4-a]indol-3-yl]methyl]acetamide;(1S,5R)-6-[5-[(3S,3aS)-7-fluoro-1-oxo-3-(triazol-1-ylmethyl)-3a,4-dihydro-3H-[1,3]oxazolo[3,4-a]indol-6-yl]-2-pyridinyl]-3-azabicyclo[3.1.0]hexane-6-carbonitrile;(1R,5S)-6-[5-[(3S,3aS)-7-fluoro-1-oxo-3-(triazol-1-ylmethyl)-3a,4-dihydro-3H-[1,3]oxazolo[3,4-a]indol-6-yl]-2-pyridinyl]bicyclo[3.1.0]hexane-6-carbonitrile;(1R,5S)-6-[5-[(3S,3aS)-7-fluoro-1-oxo-3-(triazol-1-ylmethyl)-3a,4-dihydro-3H-[1,3]oxazolo[3,4-a]indol-6-yl]-2-pyridinyl]-3-oxabicyclo[3.1.0]hexane-6-carbonitrile;methyl 3-[(3S,3aS)-6-[6-[(1S,5R)-6-cyano-3-azabicyclo[3.1.0]hexan-6-yl]-3-pyridinyl]-7-fluoro-1-oxo-3a,4-dihydro-3H-[1,3]oxazolo[3,4-a]indol-3-yl]propanoate;methyl 3-[(3S,3aS)-6-[6-[(1R,5S)-6-cyano-6-bicyclo[3.1.0]hexanyl]-3-pyridinyl]-7-fluoro-1-oxo-3a,4-dihydro-3H-[1,3]oxazolo[3,4-a]indol-3-yl]propanoate;methyl 3-[(3S,3aS)-6-[6-[(1S,5R)-6-cyano-3-oxabicyclo[3.1.0]hexan-6-yl]-3-pyridinyl]-7-fluoro-1-oxo-3a,4-dihydro-3H-[1,3]oxazolo[3,4-a]indol-3-yl]propanoate (CID 158315516) is N-[[(3S,3aS)-6-[6-[(1R,5S)-6-cyano-3-azabicyclo[3.1.0]hexan-6-yl]-3-pyridinyl]-7-fluoro-1-oxo-3a,4-dihydro-3H-[1,3]oxazolo[3,4-a]indol-3-yl]methyl]acetamide;N-[[(3S,3aS)-6-[6-[(1R,5S)-6-cyano-6-bicyclo[3.1.0]hexanyl]-3-pyridinyl]-7-fluoro-1-oxo-3a,4-dihydro-3H-[1,3]oxazolo[3,4-a]indol-3-yl]methyl]acetamide;N-[[(3S,3aS)-6-[6-[(1R,5S)-6-cyano-3-oxabicyclo[3.1.0]hexan-6-yl]-3-pyridinyl]-7-fluoro-1-oxo-3a,4-dihydro-3H-[1,3]oxazolo[3,4-a]indol-3-yl]methyl]acetamide;(1S,5R)-6-[5-[(3S,3aS)-7-fluoro-1-oxo-3-(triazol-1-ylmethyl)-3a,4-dihydro-3H-[1,3]oxazolo[3,4-a]indol-6-yl]-2-pyridinyl]-3-azabicyclo[3.1.0]hexane-6-carbonitrile;(1R,5S)-6-[5-[(3S,3aS)-7-fluoro-1-oxo-3-(triazol-1-ylmethyl)-3a,4-dihydro-3H-[1,3]oxazolo[3,4-a]indol-6-yl]-2-pyridinyl]bicyclo[3.1.0]hexane-6-carbonitrile;(1R,5S)-6-[5-[(3S,3aS)-7-fluoro-1-oxo-3-(triazol-1-ylmethyl)-3a,4-dihydro-3H-[1,3]oxazolo[3,4-a]indol-6-yl]-2-pyridinyl]-3-oxabicyclo[3.1.0]hexane-6-carbonitrile;methyl 3-[(3S,3aS)-6-[6-[(1S,5R)-6-cyano-3-azabicyclo[3.1.0]hexan-6-yl]-3-pyridinyl]-7-fluoro-1-oxo-3a,4-dihydro-3H-[1,3]oxazolo[3,4-a]indol-3-yl]propanoate;methyl 3-[(3S,3aS)-6-[6-[(1R,5S)-6-cyano-6-bicyclo[3.1.0]hexanyl]-3-pyridinyl]-7-fluoro-1-oxo-3a,4-dihydro-3H-[1,3]oxazolo[3,4-a]indol-3-yl]propanoate;methyl 3-[(3S,3aS)-6-[6-[(1S,5R)-6-cyano-3-oxabicyclo[3.1.0]hexan-6-yl]-3-pyridinyl]-7-fluoro-1-oxo-3a,4-dihydro-3H-[1,3]oxazolo[3,4-a]indol-3-yl]propanoate.
What is the SMILES notation for N-[[(3S,3aS)-6-[6-[(1R,5S)-6-cyano-3-azabicyclo[3.1.0]hexan-6-yl]-3-pyridinyl]-7-fluoro-1-oxo-3a,4-dihydro-3H-[1,3]oxazolo[3,4-a]indol-3-yl]methyl]acetamide;N-[[(3S,3aS)-6-[6-[(1R,5S)-6-cyano-6-bicyclo[3.1.0]hexanyl]-3-pyridinyl]-7-fluoro-1-oxo-3a,4-dihydro-3H-[1,3]oxazolo[3,4-a]indol-3-yl]methyl]acetamide;N-[[(3S,3aS)-6-[6-[(1R,5S)-6-cyano-3-oxabicyclo[3.1.0]hexan-6-yl]-3-pyridinyl]-7-fluoro-1-oxo-3a,4-dihydro-3H-[1,3]oxazolo[3,4-a]indol-3-yl]methyl]acetamide;(1S,5R)-6-[5-[(3S,3aS)-7-fluoro-1-oxo-3-(triazol-1-ylmethyl)-3a,4-dihydro-3H-[1,3]oxazolo[3,4-a]indol-6-yl]-2-pyridinyl]-3-azabicyclo[3.1.0]hexane-6-carbonitrile;(1R,5S)-6-[5-[(3S,3aS)-7-fluoro-1-oxo-3-(triazol-1-ylmethyl)-3a,4-dihydro-3H-[1,3]oxazolo[3,4-a]indol-6-yl]-2-pyridinyl]bicyclo[3.1.0]hexane-6-carbonitrile;(1R,5S)-6-[5-[(3S,3aS)-7-fluoro-1-oxo-3-(triazol-1-ylmethyl)-3a,4-dihydro-3H-[1,3]oxazolo[3,4-a]indol-6-yl]-2-pyridinyl]-3-oxabicyclo[3.1.0]hexane-6-carbonitrile;methyl 3-[(3S,3aS)-6-[6-[(1S,5R)-6-cyano-3-azabicyclo[3.1.0]hexan-6-yl]-3-pyridinyl]-7-fluoro-1-oxo-3a,4-dihydro-3H-[1,3]oxazolo[3,4-a]indol-3-yl]propanoate;methyl 3-[(3S,3aS)-6-[6-[(1R,5S)-6-cyano-6-bicyclo[3.1.0]hexanyl]-3-pyridinyl]-7-fluoro-1-oxo-3a,4-dihydro-3H-[1,3]oxazolo[3,4-a]indol-3-yl]propanoate;methyl 3-[(3S,3aS)-6-[6-[(1S,5R)-6-cyano-3-oxabicyclo[3.1.0]hexan-6-yl]-3-pyridinyl]-7-fluoro-1-oxo-3a,4-dihydro-3H-[1,3]oxazolo[3,4-a]indol-3-yl]propanoate?
The canonical SMILES for N-[[(3S,3aS)-6-[6-[(1R,5S)-6-cyano-3-azabicyclo[3.1.0]hexan-6-yl]-3-pyridinyl]-7-fluoro-1-oxo-3a,4-dihydro-3H-[1,3]oxazolo[3,4-a]indol-3-yl]methyl]acetamide;N-[[(3S,3aS)-6-[6-[(1R,5S)-6-cyano-6-bicyclo[3.1.0]hexanyl]-3-pyridinyl]-7-fluoro-1-oxo-3a,4-dihydro-3H-[1,3]oxazolo[3,4-a]indol-3-yl]methyl]acetamide;N-[[(3S,3aS)-6-[6-[(1R,5S)-6-cyano-3-oxabicyclo[3.1.0]hexan-6-yl]-3-pyridinyl]-7-fluoro-1-oxo-3a,4-dihydro-3H-[1,3]oxazolo[3,4-a]indol-3-yl]methyl]acetamide;(1S,5R)-6-[5-[(3S,3aS)-7-fluoro-1-oxo-3-(triazol-1-ylmethyl)-3a,4-dihydro-3H-[1,3]oxazolo[3,4-a]indol-6-yl]-2-pyridinyl]-3-azabicyclo[3.1.0]hexane-6-carbonitrile;(1R,5S)-6-[5-[(3S,3aS)-7-fluoro-1-oxo-3-(triazol-1-ylmethyl)-3a,4-dihydro-3H-[1,3]oxazolo[3,4-a]indol-6-yl]-2-pyridinyl]bicyclo[3.1.0]hexane-6-carbonitrile;(1R,5S)-6-[5-[(3S,3aS)-7-fluoro-1-oxo-3-(triazol-1-ylmethyl)-3a,4-dihydro-3H-[1,3]oxazolo[3,4-a]indol-6-yl]-2-pyridinyl]-3-oxabicyclo[3.1.0]hexane-6-carbonitrile;methyl 3-[(3S,3aS)-6-[6-[(1S,5R)-6-cyano-3-azabicyclo[3.1.0]hexan-6-yl]-3-pyridinyl]-7-fluoro-1-oxo-3a,4-dihydro-3H-[1,3]oxazolo[3,4-a]indol-3-yl]propanoate;methyl 3-[(3S,3aS)-6-[6-[(1R,5S)-6-cyano-6-bicyclo[3.1.0]hexanyl]-3-pyridinyl]-7-fluoro-1-oxo-3a,4-dihydro-3H-[1,3]oxazolo[3,4-a]indol-3-yl]propanoate;methyl 3-[(3S,3aS)-6-[6-[(1S,5R)-6-cyano-3-oxabicyclo[3.1.0]hexan-6-yl]-3-pyridinyl]-7-fluoro-1-oxo-3a,4-dihydro-3H-[1,3]oxazolo[3,4-a]indol-3-yl]propanoate is CC(=O)NC[C@@H]1OC(=O)N2c3cc(F)c(-c4ccc(C5(C#N)[C@@H]6CCC[C@@H]65)nc4)cc3C[C@@H]12.CC(=O)NC[C@@H]1OC(=O)N2c3cc(F)c(-c4ccc(C5(C#N)[C@@H]6CNC[C@@H]65)nc4)cc3C[C@@H]12.CC(=O)NC[C@@H]1OC(=O)N2c3cc(F)c(-c4ccc(C5(C#N)[C@@H]6COC[C@@H]65)nc4)cc3C[C@@H]12.COC(=O)CC[C@@H]1OC(=O)N2c3cc(F)c(-c4ccc(C5(C#N)[C@@H]6CCC[C@@H]65)nc4)cc3C[C@@H]12.COC(=O)CC[C@@H]1OC(=O)N2c3cc(F)c(-c4ccc(C5(C#N)[C@@H]6CNC[C@@H]65)nc4)cc3C[C@@H]12.COC(=O)CC[C@@H]1OC(=O)N2c3cc(F)c(-c4ccc(C5(C#N)[C@@H]6COC[C@@H]65)nc4)cc3C[C@@H]12.N#CC1(c2ccc(-c3cc4c(cc3F)N3C(=O)O[C@@H](Cn5ccnn5)[C@@H]3C4)cn2)[C@@H]2CCC[C@@H]21.N#CC1(c2ccc(-c3cc4c(cc3F)N3C(=O)O[C@@H](Cn5ccnn5)[C@@H]3C4)cn2)[C@@H]2CNC[C@@H]21.N#CC1(c2ccc(-c3cc4c(cc3F)N3C(=O)O[C@@H](Cn5ccnn5)[C@@H]3C4)cn2)[C@@H]2COC[C@@H]21.
What is the InChIKey of N-[[(3S,3aS)-6-[6-[(1R,5S)-6-cyano-3-azabicyclo[3.1.0]hexan-6-yl]-3-pyridinyl]-7-fluoro-1-oxo-3a,4-dihydro-3H-[1,3]oxazolo[3,4-a]indol-3-yl]methyl]acetamide;N-[[(3S,3aS)-6-[6-[(1R,5S)-6-cyano-6-bicyclo[3.1.0]hexanyl]-3-pyridinyl]-7-fluoro-1-oxo-3a,4-dihydro-3H-[1,3]oxazolo[3,4-a]indol-3-yl]methyl]acetamide;N-[[(3S,3aS)-6-[6-[(1R,5S)-6-cyano-3-oxabicyclo[3.1.0]hexan-6-yl]-3-pyridinyl]-7-fluoro-1-oxo-3a,4-dihydro-3H-[1,3]oxazolo[3,4-a]indol-3-yl]methyl]acetamide;(1S,5R)-6-[5-[(3S,3aS)-7-fluoro-1-oxo-3-(triazol-1-ylmethyl)-3a,4-dihydro-3H-[1,3]oxazolo[3,4-a]indol-6-yl]-2-pyridinyl]-3-azabicyclo[3.1.0]hexane-6-carbonitrile;(1R,5S)-6-[5-[(3S,3aS)-7-fluoro-1-oxo-3-(triazol-1-ylmethyl)-3a,4-dihydro-3H-[1,3]oxazolo[3,4-a]indol-6-yl]-2-pyridinyl]bicyclo[3.1.0]hexane-6-carbonitrile;(1R,5S)-6-[5-[(3S,3aS)-7-fluoro-1-oxo-3-(triazol-1-ylmethyl)-3a,4-dihydro-3H-[1,3]oxazolo[3,4-a]indol-6-yl]-2-pyridinyl]-3-oxabicyclo[3.1.0]hexane-6-carbonitrile;methyl 3-[(3S,3aS)-6-[6-[(1S,5R)-6-cyano-3-azabicyclo[3.1.0]hexan-6-yl]-3-pyridinyl]-7-fluoro-1-oxo-3a,4-dihydro-3H-[1,3]oxazolo[3,4-a]indol-3-yl]propanoate;methyl 3-[(3S,3aS)-6-[6-[(1R,5S)-6-cyano-6-bicyclo[3.1.0]hexanyl]-3-pyridinyl]-7-fluoro-1-oxo-3a,4-dihydro-3H-[1,3]oxazolo[3,4-a]indol-3-yl]propanoate;methyl 3-[(3S,3aS)-6-[6-[(1S,5R)-6-cyano-3-oxabicyclo[3.1.0]hexan-6-yl]-3-pyridinyl]-7-fluoro-1-oxo-3a,4-dihydro-3H-[1,3]oxazolo[3,4-a]indol-3-yl]propanoate?
The InChIKey is GOFDPLYQKUJIOH-OJWRIHDPSA-N. The full InChI is InChI=1S/C26H24FN3O4.C25H21FN6O2.C25H23FN4O4.C25H23FN4O3.C25H22FN3O5.C24H20FN7O2.C24H19FN6O3.C24H22FN5O3.C24H21FN4O4/c1-33-24(31)8-6-22-21-10-15-9-16(19(27)11-20(15)30(21)25(32)34-22)14-5-7-23(29-12-14)26(13-28)17-3-2-4-18(17)26;26-19-10-20-15(9-21-22(34-24(33)32(20)21)12-31-7-6-29-30-31)8-16(19)14-4-5-23(28-11-14)25(13-27)17-2-1-3-18(17)25;1-33-23(31)5-3-21-20-7-14-6-15(18(26)8-19(14)30(20)24(32)34-21)13-2-4-22(29-9-13)25(12-27)16-10-28-11-17(16)25;1-13(31)28-11-22-21-8-15-7-16(19(26)9-20(15)30(21)24(32)33-22)14-5-6-23(29-10-14)25(12-27)17-3-2-4-18(17)25;1-32-23(30)5-3-21-20-7-14-6-15(18(26)8-19(14)29(20)24(31)34-21)13-2-4-22(28-9-13)25(12-27)16-10-33-11-17(16)25;25-18-7-19-14(6-20-21(34-23(33)32(19)20)11-31-4-3-29-30-31)5-15(18)13-1-2-22(28-8-13)24(12-26)16-9-27-10-17(16)24;25-18-7-19-14(6-20-21(34-23(32)31(19)20)9-30-4-3-28-29-30)5-15(18)13-1-2-22(27-8-13)24(12-26)16-10-33-11-17(16)24;1-12(31)28-10-21-20-5-14-4-15(18(25)6-19(14)30(20)23(32)33-21)13-2-3-22(29-7-13)24(11-26)16-8-27-9-17(16)24;1-12(30)27-8-21-20-5-14-4-15(18(25)6-19(14)29(20)23(31)33-21)13-2-3-22(28-7-13)24(11-26)16-9-32-10-17(16)24/h5,7,9,11-12,17-18,21-22H,2-4,6,8,10H2,1H3;4-8,10-11,17-18,21-22H,1-3,9,12H2;2,4,6,8-9,16-17,20-21,28H,3,5,7,10-11H2,1H3;5-7,9-10,17-18,21-22H,2-4,8,11H2,1H3,(H,28,31);2,4,6,8-9,16-17,20-21H,3,5,7,10-11H2,1H3;1-5,7-8,16-17,20-21,27H,6,9-11H2;1-5,7-8,16-17,20-21H,6,9-11H2;2-4,6-7,16-17,20-21,27H,5,8-10H2,1H3,(H,28,31);2-4,6-7,16-17,20-21H,5,8-10H2,1H3,(H,27,30)/t17-,18+,21-,22-,26?;17-,18+,21-,22-,25?;16-,17+,20-,21-,25?;17-,18+,21-,22-,25?;16-,17+,20-,21-,25?;4*16-,17+,20-,21-,24?/m000000000/s1.
What are the key properties of N-[[(3S,3aS)-6-[6-[(1R,5S)-6-cyano-3-azabicyclo[3.1.0]hexan-6-yl]-3-pyridinyl]-7-fluoro-1-oxo-3a,4-dihydro-3H-[1,3]oxazolo[3,4-a]indol-3-yl]methyl]acetamide;N-[[(3S,3aS)-6-[6-[(1R,5S)-6-cyano-6-bicyclo[3.1.0]hexanyl]-3-pyridinyl]-7-fluoro-1-oxo-3a,4-dihydro-3H-[1,3]oxazolo[3,4-a]indol-3-yl]methyl]acetamide;N-[[(3S,3aS)-6-[6-[(1R,5S)-6-cyano-3-oxabicyclo[3.1.0]hexan-6-yl]-3-pyridinyl]-7-fluoro-1-oxo-3a,4-dihydro-3H-[1,3]oxazolo[3,4-a]indol-3-yl]methyl]acetamide;(1S,5R)-6-[5-[(3S,3aS)-7-fluoro-1-oxo-3-(triazol-1-ylmethyl)-3a,4-dihydro-3H-[1,3]oxazolo[3,4-a]indol-6-yl]-2-pyridinyl]-3-azabicyclo[3.1.0]hexane-6-carbonitrile;(1R,5S)-6-[5-[(3S,3aS)-7-fluoro-1-oxo-3-(triazol-1-ylmethyl)-3a,4-dihydro-3H-[1,3]oxazolo[3,4-a]indol-6-yl]-2-pyridinyl]bicyclo[3.1.0]hexane-6-carbonitrile;(1R,5S)-6-[5-[(3S,3aS)-7-fluoro-1-oxo-3-(triazol-1-ylmethyl)-3a,4-dihydro-3H-[1,3]oxazolo[3,4-a]indol-6-yl]-2-pyridinyl]-3-oxabicyclo[3.1.0]hexane-6-carbonitrile;methyl 3-[(3S,3aS)-6-[6-[(1S,5R)-6-cyano-3-azabicyclo[3.1.0]hexan-6-yl]-3-pyridinyl]-7-fluoro-1-oxo-3a,4-dihydro-3H-[1,3]oxazolo[3,4-a]indol-3-yl]propanoate;methyl 3-[(3S,3aS)-6-[6-[(1R,5S)-6-cyano-6-bicyclo[3.1.0]hexanyl]-3-pyridinyl]-7-fluoro-1-oxo-3a,4-dihydro-3H-[1,3]oxazolo[3,4-a]indol-3-yl]propanoate;methyl 3-[(3S,3aS)-6-[6-[(1S,5R)-6-cyano-3-oxabicyclo[3.1.0]hexan-6-yl]-3-pyridinyl]-7-fluoro-1-oxo-3a,4-dihydro-3H-[1,3]oxazolo[3,4-a]indol-3-yl]propanoate?
N-[[(3S,3aS)-6-[6-[(1R,5S)-6-cyano-3-azabicyclo[3.1.0]hexan-6-yl]-3-pyridinyl]-7-fluoro-1-oxo-3a,4-dihydro-3H-[1,3]oxazolo[3,4-a]indol-3-yl]methyl]acetamide;N-[[(3S,3aS)-6-[6-[(1R,5S)-6-cyano-6-bicyclo[3.1.0]hexanyl]-3-pyridinyl]-7-fluoro-1-oxo-3a,4-dihydro-3H-[1,3]oxazolo[3,4-a]indol-3-yl]methyl]acetamide;N-[[(3S,3aS)-6-[6-[(1R,5S)-6-cyano-3-oxabicyclo[3.1.0]hexan-6-yl]-3-pyridinyl]-7-fluoro-1-oxo-3a,4-dihydro-3H-[1,3]oxazolo[3,4-a]indol-3-yl]methyl]acetamide;(1S,5R)-6-[5-[(3S,3aS)-7-fluoro-1-oxo-3-(triazol-1-ylmethyl)-3a,4-dihydro-3H-[1,3]oxazolo[3,4-a]indol-6-yl]-2-pyridinyl]-3-azabicyclo[3.1.0]hexane-6-carbonitrile;(1R,5S)-6-[5-[(3S,3aS)-7-fluoro-1-oxo-3-(triazol-1-ylmethyl)-3a,4-dihydro-3H-[1,3]oxazolo[3,4-a]indol-6-yl]-2-pyridinyl]bicyclo[3.1.0]hexane-6-carbonitrile;(1R,5S)-6-[5-[(3S,3aS)-7-fluoro-1-oxo-3-(triazol-1-ylmethyl)-3a,4-dihydro-3H-[1,3]oxazolo[3,4-a]indol-6-yl]-2-pyridinyl]-3-oxabicyclo[3.1.0]hexane-6-carbonitrile;methyl 3-[(3S,3aS)-6-[6-[(1S,5R)-6-cyano-3-azabicyclo[3.1.0]hexan-6-yl]-3-pyridinyl]-7-fluoro-1-oxo-3a,4-dihydro-3H-[1,3]oxazolo[3,4-a]indol-3-yl]propanoate;methyl 3-[(3S,3aS)-6-[6-[(1R,5S)-6-cyano-6-bicyclo[3.1.0]hexanyl]-3-pyridinyl]-7-fluoro-1-oxo-3a,4-dihydro-3H-[1,3]oxazolo[3,4-a]indol-3-yl]propanoate;methyl 3-[(3S,3aS)-6-[6-[(1S,5R)-6-cyano-3-oxabicyclo[3.1.0]hexan-6-yl]-3-pyridinyl]-7-fluoro-1-oxo-3a,4-dihydro-3H-[1,3]oxazolo[3,4-a]indol-3-yl]propanoate has a molecular weight of 4102.25 g/mol, XLogP of 25.90, 39 rotatable bonds, 6 hydrogen bond donors, and 60 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(3S,3aS)-6-[6-[(1R,5S)-6-cyano-3-azabicyclo[3.1.0]hexan-6-yl]-3-pyridinyl]-7-fluoro-1-oxo-3a,4-dihydro-3H-[1,3]oxazolo[3,4-a]indol-3-yl]methyl]acetamide;N-[[(3S,3aS)-6-[6-[(1R,5S)-6-cyano-6-bicyclo[3.1.0]hexanyl]-3-pyridinyl]-7-fluoro-1-oxo-3a,4-dihydro-3H-[1,3]oxazolo[3,4-a]indol-3-yl]methyl]acetamide;N-[[(3S,3aS)-6-[6-[(1R,5S)-6-cyano-3-oxabicyclo[3.1.0]hexan-6-yl]-3-pyridinyl]-7-fluoro-1-oxo-3a,4-dihydro-3H-[1,3]oxazolo[3,4-a]indol-3-yl]methyl]acetamide;(1S,5R)-6-[5-[(3S,3aS)-7-fluoro-1-oxo-3-(triazol-1-ylmethyl)-3a,4-dihydro-3H-[1,3]oxazolo[3,4-a]indol-6-yl]-2-pyridinyl]-3-azabicyclo[3.1.0]hexane-6-carbonitrile;(1R,5S)-6-[5-[(3S,3aS)-7-fluoro-1-oxo-3-(triazol-1-ylmethyl)-3a,4-dihydro-3H-[1,3]oxazolo[3,4-a]indol-6-yl]-2-pyridinyl]bicyclo[3.1.0]hexane-6-carbonitrile;(1R,5S)-6-[5-[(3S,3aS)-7-fluoro-1-oxo-3-(triazol-1-ylmethyl)-3a,4-dihydro-3H-[1,3]oxazolo[3,4-a]indol-6-yl]-2-pyridinyl]-3-oxabicyclo[3.1.0]hexane-6-carbonitrile;methyl 3-[(3S,3aS)-6-[6-[(1S,5R)-6-cyano-3-azabicyclo[3.1.0]hexan-6-yl]-3-pyridinyl]-7-fluoro-1-oxo-3a,4-dihydro-3H-[1,3]oxazolo[3,4-a]indol-3-yl]propanoate;methyl 3-[(3S,3aS)-6-[6-[(1R,5S)-6-cyano-6-bicyclo[3.1.0]hexanyl]-3-pyridinyl]-7-fluoro-1-oxo-3a,4-dihydro-3H-[1,3]oxazolo[3,4-a]indol-3-yl]propanoate;methyl 3-[(3S,3aS)-6-[6-[(1S,5R)-6-cyano-3-oxabicyclo[3.1.0]hexan-6-yl]-3-pyridinyl]-7-fluoro-1-oxo-3a,4-dihydro-3H-[1,3]oxazolo[3,4-a]indol-3-yl]propanoate is sourced from PubChem (CID 158315516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).