6-[2-[3-[(4S,6S)-2-amino-6-(1,1-difluoroethyl)-4-methyl-5,6-dihydro-1,3-oxazin-4-yl]-4,5-difluorophenyl]acetyl]-5-methylpyridine-3-carbonitrile;2-[3-[(4S,6S)-2-amino-6-(1,1-difluoroethyl)-4-methyl-5,6-dihydro-1,3-oxazin-4-yl]-4,5-difluorophenyl]-1-(5-bromo-2-pyridinyl)ethanone;N-[3-[(4S,6S)-2-amino-6-(1,1-difluoroethyl)-4-methyl-5,6-dihydro-1,3-oxazin-4-yl]-4,5-difluorophenyl]-3-chloro-5-cyanopyridine-2-carboxamide;2-[3-[(4S,6S)-2-amino-6-(1,1-difluoroethyl)-4-methyl-5,6-dihydro-1,3-oxazin-4-yl]-4,5-difluorophenyl]-1-(3-chloro-5-methoxy-2-pyridinyl)ethanone;2-[3-[(4S,6S)-2-amino-6-(1,1-difluoroethyl)-4-methyl-5,6-dihydro-1,3-oxazin-4-yl]-4,5-difluorophenyl]-1-[5-(difluoromethyl)-3-methyl-2-pyridinyl]ethanone;2-[3-[(4S,6S)-2-amino-6-(1,1-difluoroethyl)-4-methyl-5,6-dihydro-1,3-oxazin-4-yl]-4,5-difluorophenyl]-1-(5-methoxypyrazin-2-yl)ethanone

C125H115BrCl2F26N22O14 — CID 160938038

IUPAC6-[2-[3-[(4S,6S)-2-amino-6-(1,1-difluoroethyl)-4-methyl-5,6-dihydro-1,3-oxazin-4-yl]-4,5-difluorophenyl]acetyl]-5-methylpyridine-3-carbonitrile;2-[3-[(4S,6S)-2-amino-6-(1,1-difluoroethyl)-4-methyl-5,6-dihydro-1,3-oxazin-4-yl]-4,5-difluorophenyl]-1-(5-bromo-2-pyridinyl)ethanone;N-[3-[(4S,6S)-2-amino-6-(1,1-difluoroethyl)-4-methyl-5,6-dihydro-1,3-oxazin-4-yl]-4,5-difluorophenyl]-3-chloro-5-cyanopyridine-2-carboxamide;2-[3-[(4S,6S)-2-amino-6-(1,1-difluoroethyl)-4-methyl-5,6-dihydro-1,3-oxazin-4-yl]-4,5-difluorophenyl]-1-(3-chloro-5-methoxy-2-pyridinyl)ethanone;2-[3-[(4S,6S)-2-amino-6-(1,1-difluoroethyl)-4-methyl-5,6-dihydro-1,3-oxazin-4-yl]-4,5-difluorophenyl]-1-[5-(difluoromethyl)-3-methyl-2-pyridinyl]ethanone;2-[3-[(4S,6S)-2-amino-6-(1,1-difluoroethyl)-4-methyl-5,6-dihydro-1,3-oxazin-4-yl]-4,5-difluorophenyl]-1-(5-methoxypyrazin-2-yl)ethanone
SMILESCC(F)(F)[C@@H]1C[C@@](C)(c2cc(CC(=O)c3ccc(Br)cn3)cc(F)c2F)N=C(N)O1.CC(F)(F)[C@@H]1C[C@@](C)(c2cc(NC(=O)c3ncc(C#N)cc3Cl)cc(F)c2F)N=C(N)O1.COc1cnc(C(=O)Cc2cc(F)c(F)c([C@]3(C)C[C@@H](C(C)(F)F)OC(N)=N3)c2)c(Cl)c1.COc1cnc(C(=O)Cc2cc(F)c(F)c([C@]3(C)C[C@@H](C(C)(F)F)OC(N)=N3)c2)cn1.Cc1cc(C#N)cnc1C(=O)Cc1cc(F)c(F)c([C@]2(C)C[C@@H](C(C)(F)F)OC(N)=N2)c1.Cc1cc(C(F)F)cnc1C(=O)Cc1cc(F)c(F)c([C@]2(C)C[C@@H](C(C)(F)F)OC(N)=N2)c1
InChIInChI=1S/C22H21F6N3O2.C22H20F4N4O2.C21H20ClF4N3O3.C20H18BrF4N3O2.C20H16ClF4N5O2.C20H20F4N4O3/c1-10-4-12(19(25)26)9-30-18(10)15(32)7-11-5-13(17(24)14(23)6-11)21(2)8-16(22(3,27)28)33-20(29)31-21;1-11-4-13(9-27)10-29-19(11)16(31)7-12-5-14(18(24)15(23)6-12)21(2)8-17(22(3,25)26)32-20(28)30-21;1-20(8-16(21(2,25)26)32-19(27)29-20)12-4-10(5-14(23)17(12)24)6-15(30)18-13(22)7-11(31-3)9-28-18;1-19(8-16(20(2,24)25)30-18(26)28-19)12-5-10(6-13(22)17(12)23)7-15(29)14-4-3-11(21)9-27-14;1-19(6-14(20(2,24)25)32-18(27)30-19)11-4-10(5-13(22)15(11)23)29-17(31)16-12(21)3-9(7-26)8-28-16;1-19(7-15(20(2,23)24)31-18(25)28-19)11-4-10(5-12(21)17(11)22)6-14(29)13-8-27-16(30-3)9-26-13/h4-6,9,16,19H,7-8H2,1-3H3,(H2,29,31);4-6,10,17H,7-8H2,1-3H3,(H2,28,30);4-5,7,9,16H,6,8H2,1-3H3,(H2,27,29);3-6,9,16H,7-8H2,1-2H3,(H2,26,28);3-5,8,14H,6H2,1-2H3,(H2,27,30)(H,29,31);4-5,8-9,15H,6-7H2,1-3H3,(H2,25,28)/t16-,21-;17-,21-;16-,20-;16-,19-;14-,19-;15-,19-/m000000/s1
InChIKeySUDCBWINBSGWCI-UNFQEZCYSA-N
MW2794.19 g/mol
LogP25.16
Rot. Bonds32

About 6-[2-[3-[(4S,6S)-2-amino-6-(1,1-difluoroethyl)-4-methyl-5,6-dihydro-1,3-oxazin-4-yl]-4,5-difluorophenyl]acetyl]-5-methylpyridine-3-carbonitrile;2-[3-[(4S,6S)-2-amino-6-(1,1-difluoroethyl)-4-methyl-5,6-dihydro-1,3-oxazin-4-yl]-4,5-difluorophenyl]-1-(5-bromo-2-pyridinyl)ethanone;N-[3-[(4S,6S)-2-amino-6-(1,1-difluoroethyl)-4-methyl-5,6-dihydro-1,3-oxazin-4-yl]-4,5-difluorophenyl]-3-chloro-5-cyanopyridine-2-carboxamide;2-[3-[(4S,6S)-2-amino-6-(1,1-difluoroethyl)-4-methyl-5,6-dihydro-1,3-oxazin-4-yl]-4,5-difluorophenyl]-1-(3-chloro-5-methoxy-2-pyridinyl)ethanone;2-[3-[(4S,6S)-2-amino-6-(1,1-difluoroethyl)-4-methyl-5,6-dihydro-1,3-oxazin-4-yl]-4,5-difluorophenyl]-1-[5-(difluoromethyl)-3-methyl-2-pyridinyl]ethanone;2-[3-[(4S,6S)-2-amino-6-(1,1-difluoroethyl)-4-methyl-5,6-dihydro-1,3-oxazin-4-yl]-4,5-difluorophenyl]-1-(5-methoxypyrazin-2-yl)ethanone

6-[2-[3-[(4S,6S)-2-amino-6-(1,1-difluoroethyl)-4-methyl-5,6-dihydro-1,3-oxazin-4-yl]-4,5-difluorophenyl]acetyl]-5-methylpyridine-3-carbonitrile;2-[3-[(4S,6S)-2-amino-6-(1,1-difluoroethyl)-4-methyl-5,6-dihydro-1,3-oxazin-4-yl]-4,5-difluorophenyl]-1-(5-bromo-2-pyridinyl)ethanone;N-[3-[(4S,6S)-2-amino-6-(1,1-difluoroethyl)-4-methyl-5,6-dihydro-1,3-oxazin-4-yl]-4,5-difluorophenyl]-3-chloro-5-cyanopyridine-2-carboxamide;2-[3-[(4S,6S)-2-amino-6-(1,1-difluoroethyl)-4-methyl-5,6-dihydro-1,3-oxazin-4-yl]-4,5-difluorophenyl]-1-(3-chloro-5-methoxy-2-pyridinyl)ethanone;2-[3-[(4S,6S)-2-amino-6-(1,1-difluoroethyl)-4-methyl-5,6-dihydro-1,3-oxazin-4-yl]-4,5-difluorophenyl]-1-[5-(difluoromethyl)-3-methyl-2-pyridinyl]ethanone;2-[3-[(4S,6S)-2-amino-6-(1,1-difluoroethyl)-4-methyl-5,6-dihydro-1,3-oxazin-4-yl]-4,5-difluorophenyl]-1-(5-methoxypyrazin-2-yl)ethanone (PubChem CID 160938038) has the molecular formula C125H115BrCl2F26N22O14 and a molecular weight of 2794.19 g/mol. Its IUPAC name is 6-[2-[3-[(4S,6S)-2-amino-6-(1,1-difluoroethyl)-4-methyl-5,6-dihydro-1,3-oxazin-4-yl]-4,5-difluorophenyl]acetyl]-5-methylpyridine-3-carbonitrile;2-[3-[(4S,6S)-2-amino-6-(1,1-difluoroethyl)-4-methyl-5,6-dihydro-1,3-oxazin-4-yl]-4,5-difluorophenyl]-1-(5-bromo-2-pyridinyl)ethanone;N-[3-[(4S,6S)-2-amino-6-(1,1-difluoroethyl)-4-methyl-5,6-dihydro-1,3-oxazin-4-yl]-4,5-difluorophenyl]-3-chloro-5-cyanopyridine-2-carboxamide;2-[3-[(4S,6S)-2-amino-6-(1,1-difluoroethyl)-4-methyl-5,6-dihydro-1,3-oxazin-4-yl]-4,5-difluorophenyl]-1-(3-chloro-5-methoxy-2-pyridinyl)ethanone;2-[3-[(4S,6S)-2-amino-6-(1,1-difluoroethyl)-4-methyl-5,6-dihydro-1,3-oxazin-4-yl]-4,5-difluorophenyl]-1-[5-(difluoromethyl)-3-methyl-2-pyridinyl]ethanone;2-[3-[(4S,6S)-2-amino-6-(1,1-difluoroethyl)-4-methyl-5,6-dihydro-1,3-oxazin-4-yl]-4,5-difluorophenyl]-1-(5-methoxypyrazin-2-yl)ethanone.

Molecular Properties

Compound Name6-[2-[3-[(4S,6S)-2-amino-6-(1,1-difluoroethyl)-4-methyl-5,6-dihydro-1,3-oxazin-4-yl]-4,5-difluorophenyl]acetyl]-5-methylpyridine-3-carbonitrile;2-[3-[(4S,6S)-2-amino-6-(1,1-difluoroethyl)-4-methyl-5,6-dihydro-1,3-oxazin-4-yl]-4,5-difluorophenyl]-1-(5-bromo-2-pyridinyl)ethanone;N-[3-[(4S,6S)-2-amino-6-(1,1-difluoroethyl)-4-methyl-5,6-dihydro-1,3-oxazin-4-yl]-4,5-difluorophenyl]-3-chloro-5-cyanopyridine-2-carboxamide;2-[3-[(4S,6S)-2-amino-6-(1,1-difluoroethyl)-4-methyl-5,6-dihydro-1,3-oxazin-4-yl]-4,5-difluorophenyl]-1-(3-chloro-5-methoxy-2-pyridinyl)ethanone;2-[3-[(4S,6S)-2-amino-6-(1,1-difluoroethyl)-4-methyl-5,6-dihydro-1,3-oxazin-4-yl]-4,5-difluorophenyl]-1-[5-(difluoromethyl)-3-methyl-2-pyridinyl]ethanone;2-[3-[(4S,6S)-2-amino-6-(1,1-difluoroethyl)-4-methyl-5,6-dihydro-1,3-oxazin-4-yl]-4,5-difluorophenyl]-1-(5-methoxypyrazin-2-yl)ethanone
PubChem CID160938038
Molecular FormulaC125H115BrCl2F26N22O14
Molecular Weight2794.19 g/mol
Exact Mass2790.71
IUPAC Name6-[2-[3-[(4S,6S)-2-amino-6-(1,1-difluoroethyl)-4-methyl-5,6-dihydro-1,3-oxazin-4-yl]-4,5-difluorophenyl]acetyl]-5-methylpyridine-3-carbonitrile;2-[3-[(4S,6S)-2-amino-6-(1,1-difluoroethyl)-4-methyl-5,6-dihydro-1,3-oxazin-4-yl]-4,5-difluorophenyl]-1-(5-bromo-2-pyridinyl)ethanone;N-[3-[(4S,6S)-2-amino-6-(1,1-difluoroethyl)-4-methyl-5,6-dihydro-1,3-oxazin-4-yl]-4,5-difluorophenyl]-3-chloro-5-cyanopyridine-2-carboxamide;2-[3-[(4S,6S)-2-amino-6-(1,1-difluoroethyl)-4-methyl-5,6-dihydro-1,3-oxazin-4-yl]-4,5-difluorophenyl]-1-(3-chloro-5-methoxy-2-pyridinyl)ethanone;2-[3-[(4S,6S)-2-amino-6-(1,1-difluoroethyl)-4-methyl-5,6-dihydro-1,3-oxazin-4-yl]-4,5-difluorophenyl]-1-[5-(difluoromethyl)-3-methyl-2-pyridinyl]ethanone;2-[3-[(4S,6S)-2-amino-6-(1,1-difluoroethyl)-4-methyl-5,6-dihydro-1,3-oxazin-4-yl]-4,5-difluorophenyl]-1-(5-methoxypyrazin-2-yl)ethanone
SMILESCC(F)(F)[C@@H]1C[C@@](C)(c2cc(CC(=O)c3ccc(Br)cn3)cc(F)c2F)N=C(N)O1.CC(F)(F)[C@@H]1C[C@@](C)(c2cc(NC(=O)c3ncc(C#N)cc3Cl)cc(F)c2F)N=C(N)O1.COc1cnc(C(=O)Cc2cc(F)c(F)c([C@]3(C)C[C@@H](C(C)(F)F)OC(N)=N3)c2)c(Cl)c1.COc1cnc(C(=O)Cc2cc(F)c(F)c([C@]3(C)C[C@@H](C(C)(F)F)OC(N)=N3)c2)cn1.Cc1cc(C#N)cnc1C(=O)Cc1cc(F)c(F)c([C@]2(C)C[C@@H](C(C)(F)F)OC(N)=N2)c1.Cc1cc(C(F)F)cnc1C(=O)Cc1cc(F)c(F)c([C@]2(C)C[C@@H](C(C)(F)F)OC(N)=N2)c1
InChIInChI=1S/C22H21F6N3O2.C22H20F4N4O2.C21H20ClF4N3O3.C20H18BrF4N3O2.C20H16ClF4N5O2.C20H20F4N4O3/c1-10-4-12(19(25)26)9-30-18(10)15(32)7-11-5-13(17(24)14(23)6-11)21(2)8-16(22(3,27)28)33-20(29)31-21;1-11-4-13(9-27)10-29-19(11)16(31)7-12-5-14(18(24)15(23)6-12)21(2)8-17(22(3,25)26)32-20(28)30-21;1-20(8-16(21(2,25)26)32-19(27)29-20)12-4-10(5-14(23)17(12)24)6-15(30)18-13(22)7-11(31-3)9-28-18;1-19(8-16(20(2,24)25)30-18(26)28-19)12-5-10(6-13(22)17(12)23)7-15(29)14-4-3-11(21)9-27-14;1-19(6-14(20(2,24)25)32-18(27)30-19)11-4-10(5-13(22)15(11)23)29-17(31)16-12(21)3-9(7-26)8-28-16;1-19(7-15(20(2,23)24)31-18(25)28-19)11-4-10(5-12(21)17(11)22)6-14(29)13-8-27-16(30-3)9-26-13/h4-6,9,16,19H,7-8H2,1-3H3,(H2,29,31);4-6,10,17H,7-8H2,1-3H3,(H2,28,30);4-5,7,9,16H,6,8H2,1-3H3,(H2,27,29);3-6,9,16H,7-8H2,1-2H3,(H2,26,28);3-5,8,14H,6H2,1-2H3,(H2,27,30)(H,29,31);4-5,8-9,15H,6-7H2,1-3H3,(H2,25,28)/t16-,21-;17-,21-;16-,20-;16-,19-;14-,19-;15-,19-/m000000/s1
InChIKeySUDCBWINBSGWCI-UNFQEZCYSA-N
XLogP25.16
TPSA556.38 Ų
H-Bond Donors7
H-Bond Acceptors35
Rotatable Bonds32
Heavy Atoms190
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002794.19
LogP ≤ 525.16
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 1035

Analyze 6-[2-[3-[(4S,6S)-2-amino-6-(1,1-difluoroethyl)-4-methyl-5,6-dihydro-1,3-oxazin-4-yl]-4,5-difluorophenyl]acetyl]-5-methylpyridine-3-carbonitrile;2-[3-[(4S,6S)-2-amino-6-(1,1-difluoroethyl)-4-methyl-5,6-dihydro-1,3-oxazin-4-yl]-4,5-difluorophenyl]-1-(5-bromo-2-pyridinyl)ethanone;N-[3-[(4S,6S)-2-amino-6-(1,1-difluoroethyl)-4-methyl-5,6-dihydro-1,3-oxazin-4-yl]-4,5-difluorophenyl]-3-chloro-5-cyanopyridine-2-carboxamide;2-[3-[(4S,6S)-2-amino-6-(1,1-difluoroethyl)-4-methyl-5,6-dihydro-1,3-oxazin-4-yl]-4,5-difluorophenyl]-1-(3-chloro-5-methoxy-2-pyridinyl)ethanone;2-[3-[(4S,6S)-2-amino-6-(1,1-difluoroethyl)-4-methyl-5,6-dihydro-1,3-oxazin-4-yl]-4,5-difluorophenyl]-1-[5-(difluoromethyl)-3-methyl-2-pyridinyl]ethanone;2-[3-[(4S,6S)-2-amino-6-(1,1-difluoroethyl)-4-methyl-5,6-dihydro-1,3-oxazin-4-yl]-4,5-difluorophenyl]-1-(5-methoxypyrazin-2-yl)ethanone with MolForge

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Related Compounds

CID 157250690
CID 157250690
CID 157892721
CID 157892721
6-[2-[3-[(4S,6S)-2-amino-6-(1,1-difluoroethyl)-4-methyl-5,6-dihydro-1,3-oxazin-4-yl]-4,5-difluorophenyl]acetyl]-5-chloropyridine-3-carbonitrile;6-[2-[3-[(4S,6S)-2-amino-6-(1,1-difluoroethyl)-4-methyl-5,6-dihydro-1,3-oxazin-4-yl]-4,5-difluorophenyl]acetyl]-5-methylpyridine-3-carbonitrile;6-[2-[3-[(4S,6S)-2-amino-6-(1,1-difluoroethyl)-4-methyl-5,6-dihydro-1,3-oxazin-4-yl]-4,5-difluorophenyl]acetyl]pyridine-3-carbonitrile;2-[3-[(4S,6S)-2-amino-6-(1,1-difluoroethyl)-4-methyl-5,6-dihydro-1,3-oxazin-4-yl]-4,5-difluorophenyl]-1-(5-chloro-2-pyridinyl)ethanone;2-[3-[(4S,6S)-2-amino-6-(1,1-difluoroethyl)-4-methyl-5,6-dihydro-1,3-oxazin-4-yl]-4,5-difluorophenyl]-1-(5-methoxypyrazin-2-yl)ethanone
CID 158058775
6-[2-[3-[(4S,6S)-2-amino-6-(1,1-difluoroethyl)-4-methyl-5,6-dihydro-1,3-oxazin-4-yl]-4,5-difluorophenyl]acetyl]-5-chloropyridine-3-carbonitrile;6-[2-[3-[(4S,6S)-2-amino-6-(1,1-difluoroethyl)-4-methyl-5,6-dihydro-1,3-oxazin-4-yl]-4,5-difluorophenyl]acetyl]-5-methylpyridine-3-carbonitrile;2-[3-[(4S,6S)-2-amino-6-(1,1-difluoroethyl)-4-methyl-5,6-dihydro-1,3-oxazin-4-yl]-4,5-difluorophenyl]-1-(5-chloro-2-pyridinyl)ethanone;2-[3-[(4S,6S)-2-amino-6-(1,1-difluoroethyl)-4-methyl-5,6-dihydro-1,3-oxazin-4-yl]-4,5-difluorophenyl]-1-(5-methoxypyrazin-2-yl)ethanone;2-[3-[(4S,6S)-2-amino-4-methyl-6-(trifluoromethyl)-5,6-dihydro-1,3-oxazin-4-yl]-4,5-difluorophenyl]-1-(3-chloro-5-methoxy-2-pyridinyl)ethanone;2-[3-[(4S,6S)-2-amino-4-methyl-6-(trifluoromethyl)-5,6-dihydro-1,3-oxazin-4-yl]-4,5-difluorophenyl]-1-[5-(difluoromethyl)-3-methyl-2-pyridinyl]ethanone
CID 158640603
CID 159235815
CID 159235815
CID 159806552
CID 159806552
2-[3-[(4S,6S)-2-amino-6-(1,1-difluoroethyl)-4-(fluoromethyl)-5,6-dihydro-1,3-oxazin-4-yl]-4,5-difluorophenyl]-1-(5-but-2-ynoxypyrazin-2-yl)ethanone;2-[3-[(4S,6S)-2-amino-6-(1,1-difluoroethyl)-4-(fluoromethyl)-5,6-dihydro-1,3-oxazin-4-yl]-4,5-difluorophenyl]-1-(5-but-2-ynoxy-2-pyridinyl)ethanone;2-[3-[(4S,6S)-2-amino-6-(1,1-difluoroethyl)-4-(fluoromethyl)-5,6-dihydro-1,3-oxazin-4-yl]-4,5-difluorophenyl]-1-(5-prop-2-ynoxypyrazin-2-yl)ethanone;2-[3-[(4S,6S)-2-amino-6-(1,1-difluoroethyl)-4-(fluoromethyl)-5,6-dihydro-1,3-oxazin-4-yl]-4-fluorophenyl]-1-[4-chloro-1-(difluoromethyl)pyrazol-3-yl]ethanone;2-[5-[(4S,6S)-2-amino-6-(1,1-difluoroethyl)-4-methyl-5,6-dihydro-1,3-oxazin-4-yl]-6-fluoro-3-pyridinyl]-1-(5-bromo-2-pyridinyl)ethanone;2-[5-[(4S,6S)-2-amino-6-(1,1-difluoroethyl)-4-methyl-5,6-dihydro-1,3-oxazin-4-yl]-6-fluoro-3-pyridinyl]-1-[4-chloro-1-(difluoromethyl)pyrazol-3-yl]ethanone
CID 159916269
2-[3-[(4S,6S)-2-amino-6-(1,1-difluoroethyl)-4-(fluoromethyl)-5,6-dihydro-1,3-oxazin-4-yl]-4,5-difluorophenyl]-1-(5-but-2-ynoxypyrazin-2-yl)ethanone;2-[3-[(4S,6S)-2-amino-6-(1,1-difluoroethyl)-4-(fluoromethyl)-5,6-dihydro-1,3-oxazin-4-yl]-4,5-difluorophenyl]-1-(5-but-2-ynoxy-2-pyridinyl)ethanone;2-[3-[(4S,6S)-2-amino-6-(1,1-difluoroethyl)-4-(fluoromethyl)-5,6-dihydro-1,3-oxazin-4-yl]-4,5-difluorophenyl]-1-(5-prop-2-ynoxypyrazin-2-yl)ethanone;6-[2-[3-[(4S,6S)-2-amino-6-(1,1-difluoroethyl)-4-methyl-5,6-dihydro-1,3-oxazin-4-yl]-4,5-difluorophenyl]acetyl]pyridine-3-carbonitrile;2-[3-[(4S,6S)-2-amino-6-(1,1-difluoroethyl)-4-methyl-5,6-dihydro-1,3-oxazin-4-yl]-4,5-difluorophenyl]-1-(5-chloro-2-pyridinyl)ethanone;2-[3-[(4S,6S)-2-amino-6-(1,1-difluoroethyl)-4-methyl-5,6-dihydro-1,3-oxazin-4-yl]-4,5-difluorophenyl]-1-(5-methoxy-2-pyridinyl)ethanone
CID 160564982
6-[2-[3-[(4S,6S)-2-amino-6-(1,1-difluoroethyl)-4-methyl-5,6-dihydro-1,3-oxazin-4-yl]-4,5-difluorophenyl]acetyl]-5-chloropyridine-3-carbonitrile;6-[2-[3-[(4S,6S)-2-amino-6-(1,1-difluoroethyl)-4-methyl-5,6-dihydro-1,3-oxazin-4-yl]-4,5-difluorophenyl]acetyl]-5-methylpyridine-3-carbonitrile;2-[3-[(4S,6S)-2-amino-6-(1,1-difluoroethyl)-4-methyl-5,6-dihydro-1,3-oxazin-4-yl]-4,5-difluorophenyl]-1-(5-chloro-2-pyridinyl)ethanone;2-[3-[(4S,6S)-2-amino-6-(1,1-difluoroethyl)-4-methyl-5,6-dihydro-1,3-oxazin-4-yl]-4,5-difluorophenyl]-1-[5-(difluoromethyl)-3-methyl-2-pyridinyl]ethanone;2-[3-[(4S,6S)-2-amino-6-(1,1-difluoroethyl)-4-methyl-5,6-dihydro-1,3-oxazin-4-yl]-4,5-difluorophenyl]-1-(5-methoxypyrazin-2-yl)ethanone;2-[3-[(4S,6S)-2-amino-4-methyl-6-(trifluoromethyl)-5,6-dihydro-1,3-oxazin-4-yl]-4,5-difluorophenyl]-1-(3-chloro-5-methoxy-2-pyridinyl)ethanone
CID 160927289
2-[3-[(4S,6S)-2-amino-6-(1,1-difluoroethyl)-4-methyl-5,6-dihydro-1,3-oxazin-4-yl]-4,5-difluorophenyl]-1-(3-chloro-5-methoxy-2-pyridinyl)ethanone;2-[3-[(4S,6S)-2-amino-4-methyl-6-(trifluoromethyl)-5,6-dihydro-1,3-oxazin-4-yl]-4,5-difluorophenyl]-1-(5-bromo-2-pyridinyl)ethanone;2-[3-[(4S,6S)-2-amino-4-methyl-6-(trifluoromethyl)-5,6-dihydro-1,3-oxazin-4-yl]-4,5-difluorophenyl]-1-[5-(difluoromethyl)-3-methyl-2-pyridinyl]ethanone
CID 161714403
CID 157403571
CID 157403571
CID 158114574
CID 158114574

Frequently Asked Questions

What is the IUPAC name of 6-[2-[3-[(4S,6S)-2-amino-6-(1,1-difluoroethyl)-4-methyl-5,6-dihydro-1,3-oxazin-4-yl]-4,5-difluorophenyl]acetyl]-5-methylpyridine-3-carbonitrile;2-[3-[(4S,6S)-2-amino-6-(1,1-difluoroethyl)-4-methyl-5,6-dihydro-1,3-oxazin-4-yl]-4,5-difluorophenyl]-1-(5-bromo-2-pyridinyl)ethanone;N-[3-[(4S,6S)-2-amino-6-(1,1-difluoroethyl)-4-methyl-5,6-dihydro-1,3-oxazin-4-yl]-4,5-difluorophenyl]-3-chloro-5-cyanopyridine-2-carboxamide;2-[3-[(4S,6S)-2-amino-6-(1,1-difluoroethyl)-4-methyl-5,6-dihydro-1,3-oxazin-4-yl]-4,5-difluorophenyl]-1-(3-chloro-5-methoxy-2-pyridinyl)ethanone;2-[3-[(4S,6S)-2-amino-6-(1,1-difluoroethyl)-4-methyl-5,6-dihydro-1,3-oxazin-4-yl]-4,5-difluorophenyl]-1-[5-(difluoromethyl)-3-methyl-2-pyridinyl]ethanone;2-[3-[(4S,6S)-2-amino-6-(1,1-difluoroethyl)-4-methyl-5,6-dihydro-1,3-oxazin-4-yl]-4,5-difluorophenyl]-1-(5-methoxypyrazin-2-yl)ethanone?
The IUPAC name of 6-[2-[3-[(4S,6S)-2-amino-6-(1,1-difluoroethyl)-4-methyl-5,6-dihydro-1,3-oxazin-4-yl]-4,5-difluorophenyl]acetyl]-5-methylpyridine-3-carbonitrile;2-[3-[(4S,6S)-2-amino-6-(1,1-difluoroethyl)-4-methyl-5,6-dihydro-1,3-oxazin-4-yl]-4,5-difluorophenyl]-1-(5-bromo-2-pyridinyl)ethanone;N-[3-[(4S,6S)-2-amino-6-(1,1-difluoroethyl)-4-methyl-5,6-dihydro-1,3-oxazin-4-yl]-4,5-difluorophenyl]-3-chloro-5-cyanopyridine-2-carboxamide;2-[3-[(4S,6S)-2-amino-6-(1,1-difluoroethyl)-4-methyl-5,6-dihydro-1,3-oxazin-4-yl]-4,5-difluorophenyl]-1-(3-chloro-5-methoxy-2-pyridinyl)ethanone;2-[3-[(4S,6S)-2-amino-6-(1,1-difluoroethyl)-4-methyl-5,6-dihydro-1,3-oxazin-4-yl]-4,5-difluorophenyl]-1-[5-(difluoromethyl)-3-methyl-2-pyridinyl]ethanone;2-[3-[(4S,6S)-2-amino-6-(1,1-difluoroethyl)-4-methyl-5,6-dihydro-1,3-oxazin-4-yl]-4,5-difluorophenyl]-1-(5-methoxypyrazin-2-yl)ethanone (CID 160938038) is 6-[2-[3-[(4S,6S)-2-amino-6-(1,1-difluoroethyl)-4-methyl-5,6-dihydro-1,3-oxazin-4-yl]-4,5-difluorophenyl]acetyl]-5-methylpyridine-3-carbonitrile;2-[3-[(4S,6S)-2-amino-6-(1,1-difluoroethyl)-4-methyl-5,6-dihydro-1,3-oxazin-4-yl]-4,5-difluorophenyl]-1-(5-bromo-2-pyridinyl)ethanone;N-[3-[(4S,6S)-2-amino-6-(1,1-difluoroethyl)-4-methyl-5,6-dihydro-1,3-oxazin-4-yl]-4,5-difluorophenyl]-3-chloro-5-cyanopyridine-2-carboxamide;2-[3-[(4S,6S)-2-amino-6-(1,1-difluoroethyl)-4-methyl-5,6-dihydro-1,3-oxazin-4-yl]-4,5-difluorophenyl]-1-(3-chloro-5-methoxy-2-pyridinyl)ethanone;2-[3-[(4S,6S)-2-amino-6-(1,1-difluoroethyl)-4-methyl-5,6-dihydro-1,3-oxazin-4-yl]-4,5-difluorophenyl]-1-[5-(difluoromethyl)-3-methyl-2-pyridinyl]ethanone;2-[3-[(4S,6S)-2-amino-6-(1,1-difluoroethyl)-4-methyl-5,6-dihydro-1,3-oxazin-4-yl]-4,5-difluorophenyl]-1-(5-methoxypyrazin-2-yl)ethanone.
What is the SMILES notation for 6-[2-[3-[(4S,6S)-2-amino-6-(1,1-difluoroethyl)-4-methyl-5,6-dihydro-1,3-oxazin-4-yl]-4,5-difluorophenyl]acetyl]-5-methylpyridine-3-carbonitrile;2-[3-[(4S,6S)-2-amino-6-(1,1-difluoroethyl)-4-methyl-5,6-dihydro-1,3-oxazin-4-yl]-4,5-difluorophenyl]-1-(5-bromo-2-pyridinyl)ethanone;N-[3-[(4S,6S)-2-amino-6-(1,1-difluoroethyl)-4-methyl-5,6-dihydro-1,3-oxazin-4-yl]-4,5-difluorophenyl]-3-chloro-5-cyanopyridine-2-carboxamide;2-[3-[(4S,6S)-2-amino-6-(1,1-difluoroethyl)-4-methyl-5,6-dihydro-1,3-oxazin-4-yl]-4,5-difluorophenyl]-1-(3-chloro-5-methoxy-2-pyridinyl)ethanone;2-[3-[(4S,6S)-2-amino-6-(1,1-difluoroethyl)-4-methyl-5,6-dihydro-1,3-oxazin-4-yl]-4,5-difluorophenyl]-1-[5-(difluoromethyl)-3-methyl-2-pyridinyl]ethanone;2-[3-[(4S,6S)-2-amino-6-(1,1-difluoroethyl)-4-methyl-5,6-dihydro-1,3-oxazin-4-yl]-4,5-difluorophenyl]-1-(5-methoxypyrazin-2-yl)ethanone?
The canonical SMILES for 6-[2-[3-[(4S,6S)-2-amino-6-(1,1-difluoroethyl)-4-methyl-5,6-dihydro-1,3-oxazin-4-yl]-4,5-difluorophenyl]acetyl]-5-methylpyridine-3-carbonitrile;2-[3-[(4S,6S)-2-amino-6-(1,1-difluoroethyl)-4-methyl-5,6-dihydro-1,3-oxazin-4-yl]-4,5-difluorophenyl]-1-(5-bromo-2-pyridinyl)ethanone;N-[3-[(4S,6S)-2-amino-6-(1,1-difluoroethyl)-4-methyl-5,6-dihydro-1,3-oxazin-4-yl]-4,5-difluorophenyl]-3-chloro-5-cyanopyridine-2-carboxamide;2-[3-[(4S,6S)-2-amino-6-(1,1-difluoroethyl)-4-methyl-5,6-dihydro-1,3-oxazin-4-yl]-4,5-difluorophenyl]-1-(3-chloro-5-methoxy-2-pyridinyl)ethanone;2-[3-[(4S,6S)-2-amino-6-(1,1-difluoroethyl)-4-methyl-5,6-dihydro-1,3-oxazin-4-yl]-4,5-difluorophenyl]-1-[5-(difluoromethyl)-3-methyl-2-pyridinyl]ethanone;2-[3-[(4S,6S)-2-amino-6-(1,1-difluoroethyl)-4-methyl-5,6-dihydro-1,3-oxazin-4-yl]-4,5-difluorophenyl]-1-(5-methoxypyrazin-2-yl)ethanone is CC(F)(F)[C@@H]1C[C@@](C)(c2cc(CC(=O)c3ccc(Br)cn3)cc(F)c2F)N=C(N)O1.CC(F)(F)[C@@H]1C[C@@](C)(c2cc(NC(=O)c3ncc(C#N)cc3Cl)cc(F)c2F)N=C(N)O1.COc1cnc(C(=O)Cc2cc(F)c(F)c([C@]3(C)C[C@@H](C(C)(F)F)OC(N)=N3)c2)c(Cl)c1.COc1cnc(C(=O)Cc2cc(F)c(F)c([C@]3(C)C[C@@H](C(C)(F)F)OC(N)=N3)c2)cn1.Cc1cc(C#N)cnc1C(=O)Cc1cc(F)c(F)c([C@]2(C)C[C@@H](C(C)(F)F)OC(N)=N2)c1.Cc1cc(C(F)F)cnc1C(=O)Cc1cc(F)c(F)c([C@]2(C)C[C@@H](C(C)(F)F)OC(N)=N2)c1.
What is the InChIKey of 6-[2-[3-[(4S,6S)-2-amino-6-(1,1-difluoroethyl)-4-methyl-5,6-dihydro-1,3-oxazin-4-yl]-4,5-difluorophenyl]acetyl]-5-methylpyridine-3-carbonitrile;2-[3-[(4S,6S)-2-amino-6-(1,1-difluoroethyl)-4-methyl-5,6-dihydro-1,3-oxazin-4-yl]-4,5-difluorophenyl]-1-(5-bromo-2-pyridinyl)ethanone;N-[3-[(4S,6S)-2-amino-6-(1,1-difluoroethyl)-4-methyl-5,6-dihydro-1,3-oxazin-4-yl]-4,5-difluorophenyl]-3-chloro-5-cyanopyridine-2-carboxamide;2-[3-[(4S,6S)-2-amino-6-(1,1-difluoroethyl)-4-methyl-5,6-dihydro-1,3-oxazin-4-yl]-4,5-difluorophenyl]-1-(3-chloro-5-methoxy-2-pyridinyl)ethanone;2-[3-[(4S,6S)-2-amino-6-(1,1-difluoroethyl)-4-methyl-5,6-dihydro-1,3-oxazin-4-yl]-4,5-difluorophenyl]-1-[5-(difluoromethyl)-3-methyl-2-pyridinyl]ethanone;2-[3-[(4S,6S)-2-amino-6-(1,1-difluoroethyl)-4-methyl-5,6-dihydro-1,3-oxazin-4-yl]-4,5-difluorophenyl]-1-(5-methoxypyrazin-2-yl)ethanone?
The InChIKey is SUDCBWINBSGWCI-UNFQEZCYSA-N. The full InChI is InChI=1S/C22H21F6N3O2.C22H20F4N4O2.C21H20ClF4N3O3.C20H18BrF4N3O2.C20H16ClF4N5O2.C20H20F4N4O3/c1-10-4-12(19(25)26)9-30-18(10)15(32)7-11-5-13(17(24)14(23)6-11)21(2)8-16(22(3,27)28)33-20(29)31-21;1-11-4-13(9-27)10-29-19(11)16(31)7-12-5-14(18(24)15(23)6-12)21(2)8-17(22(3,25)26)32-20(28)30-21;1-20(8-16(21(2,25)26)32-19(27)29-20)12-4-10(5-14(23)17(12)24)6-15(30)18-13(22)7-11(31-3)9-28-18;1-19(8-16(20(2,24)25)30-18(26)28-19)12-5-10(6-13(22)17(12)23)7-15(29)14-4-3-11(21)9-27-14;1-19(6-14(20(2,24)25)32-18(27)30-19)11-4-10(5-13(22)15(11)23)29-17(31)16-12(21)3-9(7-26)8-28-16;1-19(7-15(20(2,23)24)31-18(25)28-19)11-4-10(5-12(21)17(11)22)6-14(29)13-8-27-16(30-3)9-26-13/h4-6,9,16,19H,7-8H2,1-3H3,(H2,29,31);4-6,10,17H,7-8H2,1-3H3,(H2,28,30);4-5,7,9,16H,6,8H2,1-3H3,(H2,27,29);3-6,9,16H,7-8H2,1-2H3,(H2,26,28);3-5,8,14H,6H2,1-2H3,(H2,27,30)(H,29,31);4-5,8-9,15H,6-7H2,1-3H3,(H2,25,28)/t16-,21-;17-,21-;16-,20-;16-,19-;14-,19-;15-,19-/m000000/s1.
What are the key properties of 6-[2-[3-[(4S,6S)-2-amino-6-(1,1-difluoroethyl)-4-methyl-5,6-dihydro-1,3-oxazin-4-yl]-4,5-difluorophenyl]acetyl]-5-methylpyridine-3-carbonitrile;2-[3-[(4S,6S)-2-amino-6-(1,1-difluoroethyl)-4-methyl-5,6-dihydro-1,3-oxazin-4-yl]-4,5-difluorophenyl]-1-(5-bromo-2-pyridinyl)ethanone;N-[3-[(4S,6S)-2-amino-6-(1,1-difluoroethyl)-4-methyl-5,6-dihydro-1,3-oxazin-4-yl]-4,5-difluorophenyl]-3-chloro-5-cyanopyridine-2-carboxamide;2-[3-[(4S,6S)-2-amino-6-(1,1-difluoroethyl)-4-methyl-5,6-dihydro-1,3-oxazin-4-yl]-4,5-difluorophenyl]-1-(3-chloro-5-methoxy-2-pyridinyl)ethanone;2-[3-[(4S,6S)-2-amino-6-(1,1-difluoroethyl)-4-methyl-5,6-dihydro-1,3-oxazin-4-yl]-4,5-difluorophenyl]-1-[5-(difluoromethyl)-3-methyl-2-pyridinyl]ethanone;2-[3-[(4S,6S)-2-amino-6-(1,1-difluoroethyl)-4-methyl-5,6-dihydro-1,3-oxazin-4-yl]-4,5-difluorophenyl]-1-(5-methoxypyrazin-2-yl)ethanone?
6-[2-[3-[(4S,6S)-2-amino-6-(1,1-difluoroethyl)-4-methyl-5,6-dihydro-1,3-oxazin-4-yl]-4,5-difluorophenyl]acetyl]-5-methylpyridine-3-carbonitrile;2-[3-[(4S,6S)-2-amino-6-(1,1-difluoroethyl)-4-methyl-5,6-dihydro-1,3-oxazin-4-yl]-4,5-difluorophenyl]-1-(5-bromo-2-pyridinyl)ethanone;N-[3-[(4S,6S)-2-amino-6-(1,1-difluoroethyl)-4-methyl-5,6-dihydro-1,3-oxazin-4-yl]-4,5-difluorophenyl]-3-chloro-5-cyanopyridine-2-carboxamide;2-[3-[(4S,6S)-2-amino-6-(1,1-difluoroethyl)-4-methyl-5,6-dihydro-1,3-oxazin-4-yl]-4,5-difluorophenyl]-1-(3-chloro-5-methoxy-2-pyridinyl)ethanone;2-[3-[(4S,6S)-2-amino-6-(1,1-difluoroethyl)-4-methyl-5,6-dihydro-1,3-oxazin-4-yl]-4,5-difluorophenyl]-1-[5-(difluoromethyl)-3-methyl-2-pyridinyl]ethanone;2-[3-[(4S,6S)-2-amino-6-(1,1-difluoroethyl)-4-methyl-5,6-dihydro-1,3-oxazin-4-yl]-4,5-difluorophenyl]-1-(5-methoxypyrazin-2-yl)ethanone has a molecular weight of 2794.19 g/mol, XLogP of 25.16, 32 rotatable bonds, 7 hydrogen bond donors, and 35 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-[3-[(4S,6S)-2-amino-6-(1,1-difluoroethyl)-4-methyl-5,6-dihydro-1,3-oxazin-4-yl]-4,5-difluorophenyl]acetyl]-5-methylpyridine-3-carbonitrile;2-[3-[(4S,6S)-2-amino-6-(1,1-difluoroethyl)-4-methyl-5,6-dihydro-1,3-oxazin-4-yl]-4,5-difluorophenyl]-1-(5-bromo-2-pyridinyl)ethanone;N-[3-[(4S,6S)-2-amino-6-(1,1-difluoroethyl)-4-methyl-5,6-dihydro-1,3-oxazin-4-yl]-4,5-difluorophenyl]-3-chloro-5-cyanopyridine-2-carboxamide;2-[3-[(4S,6S)-2-amino-6-(1,1-difluoroethyl)-4-methyl-5,6-dihydro-1,3-oxazin-4-yl]-4,5-difluorophenyl]-1-(3-chloro-5-methoxy-2-pyridinyl)ethanone;2-[3-[(4S,6S)-2-amino-6-(1,1-difluoroethyl)-4-methyl-5,6-dihydro-1,3-oxazin-4-yl]-4,5-difluorophenyl]-1-[5-(difluoromethyl)-3-methyl-2-pyridinyl]ethanone;2-[3-[(4S,6S)-2-amino-6-(1,1-difluoroethyl)-4-methyl-5,6-dihydro-1,3-oxazin-4-yl]-4,5-difluorophenyl]-1-(5-methoxypyrazin-2-yl)ethanone is sourced from PubChem (CID 160938038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).