5-amino-6-[2-[3-[(4S)-2-amino-4,6-dimethyl-1,3-oxazin-4-yl]-4-fluorophenyl]acetyl]pyridine-3-carbonitrile;6-[2-[3-[(4S)-2-amino-4,6-dimethyl-1,3-oxazin-4-yl]-4-fluorophenyl]acetyl]-5-chloropyridine-3-carbonitrile;6-[2-[3-[(4S)-2-amino-4,6-dimethyl-1,3-oxazin-4-yl]-4-fluorophenyl]acetyl]-5-fluoropyridine-3-carbonitrile;6-[2-[3-[(4S)-2-amino-4,6-dimethyl-1,3-oxazin-4-yl]-4-fluorophenyl]acetyl]pyridine-3-carbonitrile;2-[3-[(4S)-2-amino-4,6-dimethyl-1,3-oxazin-4-yl]-4-fluorophenyl]-1-(5-chloro-2-pyridinyl)ethanone;2-[3-[(4S)-2-amino-4,6-dimethyl-1,3-oxazin-4-yl]-4-fluorophenyl]-1-(3,5-difluoro-2-pyridinyl)ethanone;2-[3-[(4S)-2-amino-4,6-dimethyl-1,3-oxazin-4-yl]-4-fluorophenyl]-1-[5-(trifluoromethyl)-2-pyridinyl]ethanone

C138H117Cl2F13N26O14 — CID 161428296

IUPAC5-amino-6-[2-[3-[(4S)-2-amino-4,6-dimethyl-1,3-oxazin-4-yl]-4-fluorophenyl]acetyl]pyridine-3-carbonitrile;6-[2-[3-[(4S)-2-amino-4,6-dimethyl-1,3-oxazin-4-yl]-4-fluorophenyl]acetyl]-5-chloropyridine-3-carbonitrile;6-[2-[3-[(4S)-2-amino-4,6-dimethyl-1,3-oxazin-4-yl]-4-fluorophenyl]acetyl]-5-fluoropyridine-3-carbonitrile;6-[2-[3-[(4S)-2-amino-4,6-dimethyl-1,3-oxazin-4-yl]-4-fluorophenyl]acetyl]pyridine-3-carbonitrile;2-[3-[(4S)-2-amino-4,6-dimethyl-1,3-oxazin-4-yl]-4-fluorophenyl]-1-(5-chloro-2-pyridinyl)ethanone;2-[3-[(4S)-2-amino-4,6-dimethyl-1,3-oxazin-4-yl]-4-fluorophenyl]-1-(3,5-difluoro-2-pyridinyl)ethanone;2-[3-[(4S)-2-amino-4,6-dimethyl-1,3-oxazin-4-yl]-4-fluorophenyl]-1-[5-(trifluoromethyl)-2-pyridinyl]ethanone
SMILESCC1=C[C@@](C)(c2cc(CC(=O)c3ccc(C#N)cn3)ccc2F)N=C(N)O1.CC1=C[C@@](C)(c2cc(CC(=O)c3ccc(C(F)(F)F)cn3)ccc2F)N=C(N)O1.CC1=C[C@@](C)(c2cc(CC(=O)c3ccc(Cl)cn3)ccc2F)N=C(N)O1.CC1=C[C@@](C)(c2cc(CC(=O)c3ncc(C#N)cc3Cl)ccc2F)N=C(N)O1.CC1=C[C@@](C)(c2cc(CC(=O)c3ncc(C#N)cc3F)ccc2F)N=C(N)O1.CC1=C[C@@](C)(c2cc(CC(=O)c3ncc(C#N)cc3N)ccc2F)N=C(N)O1.CC1=C[C@@](C)(c2cc(CC(=O)c3ncc(F)cc3F)ccc2F)N=C(N)O1
InChIInChI=1S/C20H16ClFN4O2.C20H17F4N3O2.C20H16F2N4O2.C20H18FN5O2.C20H17FN4O2.C19H17ClFN3O2.C19H16F3N3O2/c1-11-8-20(2,26-19(24)28-11)14-5-12(3-4-16(14)22)7-17(27)18-15(21)6-13(9-23)10-25-18;1-11-9-19(2,27-18(25)29-11)14-7-12(3-5-15(14)21)8-17(28)16-6-4-13(10-26-16)20(22,23)24;1-11-8-20(2,26-19(24)28-11)14-5-12(3-4-15(14)21)7-17(27)18-16(22)6-13(9-23)10-25-18;1-11-8-20(2,26-19(24)28-11)14-5-12(3-4-15(14)21)7-17(27)18-16(23)6-13(9-22)10-25-18;1-12-9-20(2,25-19(23)27-12)15-7-13(3-5-16(15)21)8-18(26)17-6-4-14(10-22)11-24-17;1-11-9-19(2,24-18(22)26-11)14-7-12(3-5-15(14)21)8-17(25)16-6-4-13(20)10-23-16;1-10-8-19(2,25-18(23)27-10)13-5-11(3-4-14(13)21)6-16(26)17-15(22)7-12(20)9-24-17/h3-6,8,10H,7H2,1-2H3,(H2,24,26);3-7,9-10H,8H2,1-2H3,(H2,25,27);3-6,8,10H,7H2,1-2H3,(H2,24,26);3-6,8,10H,7,23H2,1-2H3,(H2,24,26);3-7,9,11H,8H2,1-2H3,(H2,23,25);3-7,9-10H,8H2,1-2H3,(H2,22,24);3-5,7-9H,6H2,1-2H3,(H2,23,25)/t20-;19-;3*20-;2*19-/m0000000/s1
InChIKeyVXRAGSBWPBDJJE-RESGDYFCSA-N
MW2681.50 g/mol
LogP23.58
Rot. Bonds28

About 5-amino-6-[2-[3-[(4S)-2-amino-4,6-dimethyl-1,3-oxazin-4-yl]-4-fluorophenyl]acetyl]pyridine-3-carbonitrile;6-[2-[3-[(4S)-2-amino-4,6-dimethyl-1,3-oxazin-4-yl]-4-fluorophenyl]acetyl]-5-chloropyridine-3-carbonitrile;6-[2-[3-[(4S)-2-amino-4,6-dimethyl-1,3-oxazin-4-yl]-4-fluorophenyl]acetyl]-5-fluoropyridine-3-carbonitrile;6-[2-[3-[(4S)-2-amino-4,6-dimethyl-1,3-oxazin-4-yl]-4-fluorophenyl]acetyl]pyridine-3-carbonitrile;2-[3-[(4S)-2-amino-4,6-dimethyl-1,3-oxazin-4-yl]-4-fluorophenyl]-1-(5-chloro-2-pyridinyl)ethanone;2-[3-[(4S)-2-amino-4,6-dimethyl-1,3-oxazin-4-yl]-4-fluorophenyl]-1-(3,5-difluoro-2-pyridinyl)ethanone;2-[3-[(4S)-2-amino-4,6-dimethyl-1,3-oxazin-4-yl]-4-fluorophenyl]-1-[5-(trifluoromethyl)-2-pyridinyl]ethanone

5-amino-6-[2-[3-[(4S)-2-amino-4,6-dimethyl-1,3-oxazin-4-yl]-4-fluorophenyl]acetyl]pyridine-3-carbonitrile;6-[2-[3-[(4S)-2-amino-4,6-dimethyl-1,3-oxazin-4-yl]-4-fluorophenyl]acetyl]-5-chloropyridine-3-carbonitrile;6-[2-[3-[(4S)-2-amino-4,6-dimethyl-1,3-oxazin-4-yl]-4-fluorophenyl]acetyl]-5-fluoropyridine-3-carbonitrile;6-[2-[3-[(4S)-2-amino-4,6-dimethyl-1,3-oxazin-4-yl]-4-fluorophenyl]acetyl]pyridine-3-carbonitrile;2-[3-[(4S)-2-amino-4,6-dimethyl-1,3-oxazin-4-yl]-4-fluorophenyl]-1-(5-chloro-2-pyridinyl)ethanone;2-[3-[(4S)-2-amino-4,6-dimethyl-1,3-oxazin-4-yl]-4-fluorophenyl]-1-(3,5-difluoro-2-pyridinyl)ethanone;2-[3-[(4S)-2-amino-4,6-dimethyl-1,3-oxazin-4-yl]-4-fluorophenyl]-1-[5-(trifluoromethyl)-2-pyridinyl]ethanone (PubChem CID 161428296) has the molecular formula C138H117Cl2F13N26O14 and a molecular weight of 2681.50 g/mol. Its IUPAC name is 5-amino-6-[2-[3-[(4S)-2-amino-4,6-dimethyl-1,3-oxazin-4-yl]-4-fluorophenyl]acetyl]pyridine-3-carbonitrile;6-[2-[3-[(4S)-2-amino-4,6-dimethyl-1,3-oxazin-4-yl]-4-fluorophenyl]acetyl]-5-chloropyridine-3-carbonitrile;6-[2-[3-[(4S)-2-amino-4,6-dimethyl-1,3-oxazin-4-yl]-4-fluorophenyl]acetyl]-5-fluoropyridine-3-carbonitrile;6-[2-[3-[(4S)-2-amino-4,6-dimethyl-1,3-oxazin-4-yl]-4-fluorophenyl]acetyl]pyridine-3-carbonitrile;2-[3-[(4S)-2-amino-4,6-dimethyl-1,3-oxazin-4-yl]-4-fluorophenyl]-1-(5-chloro-2-pyridinyl)ethanone;2-[3-[(4S)-2-amino-4,6-dimethyl-1,3-oxazin-4-yl]-4-fluorophenyl]-1-(3,5-difluoro-2-pyridinyl)ethanone;2-[3-[(4S)-2-amino-4,6-dimethyl-1,3-oxazin-4-yl]-4-fluorophenyl]-1-[5-(trifluoromethyl)-2-pyridinyl]ethanone.

Molecular Properties

Compound Name5-amino-6-[2-[3-[(4S)-2-amino-4,6-dimethyl-1,3-oxazin-4-yl]-4-fluorophenyl]acetyl]pyridine-3-carbonitrile;6-[2-[3-[(4S)-2-amino-4,6-dimethyl-1,3-oxazin-4-yl]-4-fluorophenyl]acetyl]-5-chloropyridine-3-carbonitrile;6-[2-[3-[(4S)-2-amino-4,6-dimethyl-1,3-oxazin-4-yl]-4-fluorophenyl]acetyl]-5-fluoropyridine-3-carbonitrile;6-[2-[3-[(4S)-2-amino-4,6-dimethyl-1,3-oxazin-4-yl]-4-fluorophenyl]acetyl]pyridine-3-carbonitrile;2-[3-[(4S)-2-amino-4,6-dimethyl-1,3-oxazin-4-yl]-4-fluorophenyl]-1-(5-chloro-2-pyridinyl)ethanone;2-[3-[(4S)-2-amino-4,6-dimethyl-1,3-oxazin-4-yl]-4-fluorophenyl]-1-(3,5-difluoro-2-pyridinyl)ethanone;2-[3-[(4S)-2-amino-4,6-dimethyl-1,3-oxazin-4-yl]-4-fluorophenyl]-1-[5-(trifluoromethyl)-2-pyridinyl]ethanone
PubChem CID161428296
Molecular FormulaC138H117Cl2F13N26O14
Molecular Weight2681.50 g/mol
Exact Mass2678.84
IUPAC Name5-amino-6-[2-[3-[(4S)-2-amino-4,6-dimethyl-1,3-oxazin-4-yl]-4-fluorophenyl]acetyl]pyridine-3-carbonitrile;6-[2-[3-[(4S)-2-amino-4,6-dimethyl-1,3-oxazin-4-yl]-4-fluorophenyl]acetyl]-5-chloropyridine-3-carbonitrile;6-[2-[3-[(4S)-2-amino-4,6-dimethyl-1,3-oxazin-4-yl]-4-fluorophenyl]acetyl]-5-fluoropyridine-3-carbonitrile;6-[2-[3-[(4S)-2-amino-4,6-dimethyl-1,3-oxazin-4-yl]-4-fluorophenyl]acetyl]pyridine-3-carbonitrile;2-[3-[(4S)-2-amino-4,6-dimethyl-1,3-oxazin-4-yl]-4-fluorophenyl]-1-(5-chloro-2-pyridinyl)ethanone;2-[3-[(4S)-2-amino-4,6-dimethyl-1,3-oxazin-4-yl]-4-fluorophenyl]-1-(3,5-difluoro-2-pyridinyl)ethanone;2-[3-[(4S)-2-amino-4,6-dimethyl-1,3-oxazin-4-yl]-4-fluorophenyl]-1-[5-(trifluoromethyl)-2-pyridinyl]ethanone
SMILESCC1=C[C@@](C)(c2cc(CC(=O)c3ccc(C#N)cn3)ccc2F)N=C(N)O1.CC1=C[C@@](C)(c2cc(CC(=O)c3ccc(C(F)(F)F)cn3)ccc2F)N=C(N)O1.CC1=C[C@@](C)(c2cc(CC(=O)c3ccc(Cl)cn3)ccc2F)N=C(N)O1.CC1=C[C@@](C)(c2cc(CC(=O)c3ncc(C#N)cc3Cl)ccc2F)N=C(N)O1.CC1=C[C@@](C)(c2cc(CC(=O)c3ncc(C#N)cc3F)ccc2F)N=C(N)O1.CC1=C[C@@](C)(c2cc(CC(=O)c3ncc(C#N)cc3N)ccc2F)N=C(N)O1.CC1=C[C@@](C)(c2cc(CC(=O)c3ncc(F)cc3F)ccc2F)N=C(N)O1
InChIInChI=1S/C20H16ClFN4O2.C20H17F4N3O2.C20H16F2N4O2.C20H18FN5O2.C20H17FN4O2.C19H17ClFN3O2.C19H16F3N3O2/c1-11-8-20(2,26-19(24)28-11)14-5-12(3-4-16(14)22)7-17(27)18-15(21)6-13(9-23)10-25-18;1-11-9-19(2,27-18(25)29-11)14-7-12(3-5-15(14)21)8-17(28)16-6-4-13(10-26-16)20(22,23)24;1-11-8-20(2,26-19(24)28-11)14-5-12(3-4-15(14)21)7-17(27)18-16(22)6-13(9-23)10-25-18;1-11-8-20(2,26-19(24)28-11)14-5-12(3-4-15(14)21)7-17(27)18-16(23)6-13(9-22)10-25-18;1-12-9-20(2,25-19(23)27-12)15-7-13(3-5-16(15)21)8-18(26)17-6-4-14(10-22)11-24-17;1-11-9-19(2,24-18(22)26-11)14-7-12(3-5-15(14)21)8-17(25)16-6-4-13(20)10-23-16;1-10-8-19(2,25-18(23)27-10)13-5-11(3-4-14(13)21)6-16(26)17-15(22)7-12(20)9-24-17/h3-6,8,10H,7H2,1-2H3,(H2,24,26);3-7,9-10H,8H2,1-2H3,(H2,25,27);3-6,8,10H,7H2,1-2H3,(H2,24,26);3-6,8,10H,7,23H2,1-2H3,(H2,24,26);3-7,9,11H,8H2,1-2H3,(H2,23,25);3-7,9-10H,8H2,1-2H3,(H2,22,24);3-5,7-9H,6H2,1-2H3,(H2,23,25)/t20-;19-;3*20-;2*19-/m0000000/s1
InChIKeyVXRAGSBWPBDJJE-RESGDYFCSA-N
XLogP23.58
TPSA664.17 Ų
H-Bond Donors8
H-Bond Acceptors40
Rotatable Bonds28
Heavy Atoms193
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002681.50
LogP ≤ 523.58
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1040

Analyze 5-amino-6-[2-[3-[(4S)-2-amino-4,6-dimethyl-1,3-oxazin-4-yl]-4-fluorophenyl]acetyl]pyridine-3-carbonitrile;6-[2-[3-[(4S)-2-amino-4,6-dimethyl-1,3-oxazin-4-yl]-4-fluorophenyl]acetyl]-5-chloropyridine-3-carbonitrile;6-[2-[3-[(4S)-2-amino-4,6-dimethyl-1,3-oxazin-4-yl]-4-fluorophenyl]acetyl]-5-fluoropyridine-3-carbonitrile;6-[2-[3-[(4S)-2-amino-4,6-dimethyl-1,3-oxazin-4-yl]-4-fluorophenyl]acetyl]pyridine-3-carbonitrile;2-[3-[(4S)-2-amino-4,6-dimethyl-1,3-oxazin-4-yl]-4-fluorophenyl]-1-(5-chloro-2-pyridinyl)ethanone;2-[3-[(4S)-2-amino-4,6-dimethyl-1,3-oxazin-4-yl]-4-fluorophenyl]-1-(3,5-difluoro-2-pyridinyl)ethanone;2-[3-[(4S)-2-amino-4,6-dimethyl-1,3-oxazin-4-yl]-4-fluorophenyl]-1-[5-(trifluoromethyl)-2-pyridinyl]ethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

6-[2-[3-(5-amino-3-fluoro-7-methyl-8H-1,6-naphthyridin-7-yl)-4-fluorophenyl]acetyl]pyridine-3-carbonitrile
CID 157480528
2-[3-[(4S)-2-amino-4,6-dimethyl-1,3-oxazin-4-yl]-4-fluorophenyl]-1-[5-(difluoromethyl)pyrazin-2-yl]ethanone
CID 153200847
6-[2-[3-[(4S)-2-amino-6-(fluoromethyl)-4-methyl-1,3-oxazin-4-yl]-4-fluorophenyl]acetyl]-5-(2,2-difluoroethyl)pyridine-3-carbonitrile
CID 147515009
6-[2-[3-[(4S,5R,6S)-2-amino-4,5-dimethyl-6-(trifluoromethyl)-5,6-dihydro-1,3-oxazin-4-yl]-4-fluorophenyl]acetyl]pyridine-3-carbonitrile
CID 162100714
2-[3-[(4S)-2-amino-4-methyl-5,6-dihydro-1,3-thiazin-4-yl]-4-fluorophenyl]-1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]ethanone
CID 147803447
2-[3-[(5S)-3-amino-5,7,7-trimethyl-2,6-dihydro-1,4-oxazepin-5-yl]-4-fluorophenyl]-1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]ethanone
CID 58562974
6-[2-[3-[(1R,5S,6R)-3-amino-5-(fluoromethyl)-2-oxa-4-azabicyclo[4.1.0]hept-3-en-5-yl]-4-fluorophenyl]acetyl]-5-chloropyridine-3-carbonitrile
CID 158287550
(4S)-2-amino-4-[5-[2-(5-cyano-2-pyridinyl)-2-oxoethyl]-2-fluorophenyl]-N-(2-methoxyethyl)-4-methyl-1,3-thiazine-6-carboxamide
CID 160607226
6-[2-[3-[(3R)-5-amino-3,6,6-tris(fluoromethyl)-2H-1,4-oxazin-3-yl]-4-fluorophenyl]acetyl]-5-chloropyridine-3-carbonitrile
CID 162087791
6-[2-[3-[(1R,10R)-8-amino-10-methyl-1-oxo-1λ6-thia-2,7,9-triazabicyclo[5.4.0]undeca-1,8-dien-10-yl]-4-fluorophenyl]acetyl]-5-chloropyridine-3-carbonitrile
CID 149479036
6-[2-[3-[(4S,6Z)-2-amino-6-(2-hydroxy-2-methylpropylidene)-4-methyl-5H-1,3-thiazin-4-yl]-4-fluorophenyl]acetyl]pyridine-3-carbonitrile
CID 58377095
2-[3-[(8S)-6-amino-8-methyl-5-oxa-7-azaspiro[2.5]oct-6-en-8-yl]-4-fluorophenyl]-1-(3-chloro-5-fluoro-2-pyridinyl)ethanone
CID 58304284

Frequently Asked Questions

What is the IUPAC name of 5-amino-6-[2-[3-[(4S)-2-amino-4,6-dimethyl-1,3-oxazin-4-yl]-4-fluorophenyl]acetyl]pyridine-3-carbonitrile;6-[2-[3-[(4S)-2-amino-4,6-dimethyl-1,3-oxazin-4-yl]-4-fluorophenyl]acetyl]-5-chloropyridine-3-carbonitrile;6-[2-[3-[(4S)-2-amino-4,6-dimethyl-1,3-oxazin-4-yl]-4-fluorophenyl]acetyl]-5-fluoropyridine-3-carbonitrile;6-[2-[3-[(4S)-2-amino-4,6-dimethyl-1,3-oxazin-4-yl]-4-fluorophenyl]acetyl]pyridine-3-carbonitrile;2-[3-[(4S)-2-amino-4,6-dimethyl-1,3-oxazin-4-yl]-4-fluorophenyl]-1-(5-chloro-2-pyridinyl)ethanone;2-[3-[(4S)-2-amino-4,6-dimethyl-1,3-oxazin-4-yl]-4-fluorophenyl]-1-(3,5-difluoro-2-pyridinyl)ethanone;2-[3-[(4S)-2-amino-4,6-dimethyl-1,3-oxazin-4-yl]-4-fluorophenyl]-1-[5-(trifluoromethyl)-2-pyridinyl]ethanone?
The IUPAC name of 5-amino-6-[2-[3-[(4S)-2-amino-4,6-dimethyl-1,3-oxazin-4-yl]-4-fluorophenyl]acetyl]pyridine-3-carbonitrile;6-[2-[3-[(4S)-2-amino-4,6-dimethyl-1,3-oxazin-4-yl]-4-fluorophenyl]acetyl]-5-chloropyridine-3-carbonitrile;6-[2-[3-[(4S)-2-amino-4,6-dimethyl-1,3-oxazin-4-yl]-4-fluorophenyl]acetyl]-5-fluoropyridine-3-carbonitrile;6-[2-[3-[(4S)-2-amino-4,6-dimethyl-1,3-oxazin-4-yl]-4-fluorophenyl]acetyl]pyridine-3-carbonitrile;2-[3-[(4S)-2-amino-4,6-dimethyl-1,3-oxazin-4-yl]-4-fluorophenyl]-1-(5-chloro-2-pyridinyl)ethanone;2-[3-[(4S)-2-amino-4,6-dimethyl-1,3-oxazin-4-yl]-4-fluorophenyl]-1-(3,5-difluoro-2-pyridinyl)ethanone;2-[3-[(4S)-2-amino-4,6-dimethyl-1,3-oxazin-4-yl]-4-fluorophenyl]-1-[5-(trifluoromethyl)-2-pyridinyl]ethanone (CID 161428296) is 5-amino-6-[2-[3-[(4S)-2-amino-4,6-dimethyl-1,3-oxazin-4-yl]-4-fluorophenyl]acetyl]pyridine-3-carbonitrile;6-[2-[3-[(4S)-2-amino-4,6-dimethyl-1,3-oxazin-4-yl]-4-fluorophenyl]acetyl]-5-chloropyridine-3-carbonitrile;6-[2-[3-[(4S)-2-amino-4,6-dimethyl-1,3-oxazin-4-yl]-4-fluorophenyl]acetyl]-5-fluoropyridine-3-carbonitrile;6-[2-[3-[(4S)-2-amino-4,6-dimethyl-1,3-oxazin-4-yl]-4-fluorophenyl]acetyl]pyridine-3-carbonitrile;2-[3-[(4S)-2-amino-4,6-dimethyl-1,3-oxazin-4-yl]-4-fluorophenyl]-1-(5-chloro-2-pyridinyl)ethanone;2-[3-[(4S)-2-amino-4,6-dimethyl-1,3-oxazin-4-yl]-4-fluorophenyl]-1-(3,5-difluoro-2-pyridinyl)ethanone;2-[3-[(4S)-2-amino-4,6-dimethyl-1,3-oxazin-4-yl]-4-fluorophenyl]-1-[5-(trifluoromethyl)-2-pyridinyl]ethanone.
What is the SMILES notation for 5-amino-6-[2-[3-[(4S)-2-amino-4,6-dimethyl-1,3-oxazin-4-yl]-4-fluorophenyl]acetyl]pyridine-3-carbonitrile;6-[2-[3-[(4S)-2-amino-4,6-dimethyl-1,3-oxazin-4-yl]-4-fluorophenyl]acetyl]-5-chloropyridine-3-carbonitrile;6-[2-[3-[(4S)-2-amino-4,6-dimethyl-1,3-oxazin-4-yl]-4-fluorophenyl]acetyl]-5-fluoropyridine-3-carbonitrile;6-[2-[3-[(4S)-2-amino-4,6-dimethyl-1,3-oxazin-4-yl]-4-fluorophenyl]acetyl]pyridine-3-carbonitrile;2-[3-[(4S)-2-amino-4,6-dimethyl-1,3-oxazin-4-yl]-4-fluorophenyl]-1-(5-chloro-2-pyridinyl)ethanone;2-[3-[(4S)-2-amino-4,6-dimethyl-1,3-oxazin-4-yl]-4-fluorophenyl]-1-(3,5-difluoro-2-pyridinyl)ethanone;2-[3-[(4S)-2-amino-4,6-dimethyl-1,3-oxazin-4-yl]-4-fluorophenyl]-1-[5-(trifluoromethyl)-2-pyridinyl]ethanone?
The canonical SMILES for 5-amino-6-[2-[3-[(4S)-2-amino-4,6-dimethyl-1,3-oxazin-4-yl]-4-fluorophenyl]acetyl]pyridine-3-carbonitrile;6-[2-[3-[(4S)-2-amino-4,6-dimethyl-1,3-oxazin-4-yl]-4-fluorophenyl]acetyl]-5-chloropyridine-3-carbonitrile;6-[2-[3-[(4S)-2-amino-4,6-dimethyl-1,3-oxazin-4-yl]-4-fluorophenyl]acetyl]-5-fluoropyridine-3-carbonitrile;6-[2-[3-[(4S)-2-amino-4,6-dimethyl-1,3-oxazin-4-yl]-4-fluorophenyl]acetyl]pyridine-3-carbonitrile;2-[3-[(4S)-2-amino-4,6-dimethyl-1,3-oxazin-4-yl]-4-fluorophenyl]-1-(5-chloro-2-pyridinyl)ethanone;2-[3-[(4S)-2-amino-4,6-dimethyl-1,3-oxazin-4-yl]-4-fluorophenyl]-1-(3,5-difluoro-2-pyridinyl)ethanone;2-[3-[(4S)-2-amino-4,6-dimethyl-1,3-oxazin-4-yl]-4-fluorophenyl]-1-[5-(trifluoromethyl)-2-pyridinyl]ethanone is CC1=C[C@@](C)(c2cc(CC(=O)c3ccc(C#N)cn3)ccc2F)N=C(N)O1.CC1=C[C@@](C)(c2cc(CC(=O)c3ccc(C(F)(F)F)cn3)ccc2F)N=C(N)O1.CC1=C[C@@](C)(c2cc(CC(=O)c3ccc(Cl)cn3)ccc2F)N=C(N)O1.CC1=C[C@@](C)(c2cc(CC(=O)c3ncc(C#N)cc3Cl)ccc2F)N=C(N)O1.CC1=C[C@@](C)(c2cc(CC(=O)c3ncc(C#N)cc3F)ccc2F)N=C(N)O1.CC1=C[C@@](C)(c2cc(CC(=O)c3ncc(C#N)cc3N)ccc2F)N=C(N)O1.CC1=C[C@@](C)(c2cc(CC(=O)c3ncc(F)cc3F)ccc2F)N=C(N)O1.
What is the InChIKey of 5-amino-6-[2-[3-[(4S)-2-amino-4,6-dimethyl-1,3-oxazin-4-yl]-4-fluorophenyl]acetyl]pyridine-3-carbonitrile;6-[2-[3-[(4S)-2-amino-4,6-dimethyl-1,3-oxazin-4-yl]-4-fluorophenyl]acetyl]-5-chloropyridine-3-carbonitrile;6-[2-[3-[(4S)-2-amino-4,6-dimethyl-1,3-oxazin-4-yl]-4-fluorophenyl]acetyl]-5-fluoropyridine-3-carbonitrile;6-[2-[3-[(4S)-2-amino-4,6-dimethyl-1,3-oxazin-4-yl]-4-fluorophenyl]acetyl]pyridine-3-carbonitrile;2-[3-[(4S)-2-amino-4,6-dimethyl-1,3-oxazin-4-yl]-4-fluorophenyl]-1-(5-chloro-2-pyridinyl)ethanone;2-[3-[(4S)-2-amino-4,6-dimethyl-1,3-oxazin-4-yl]-4-fluorophenyl]-1-(3,5-difluoro-2-pyridinyl)ethanone;2-[3-[(4S)-2-amino-4,6-dimethyl-1,3-oxazin-4-yl]-4-fluorophenyl]-1-[5-(trifluoromethyl)-2-pyridinyl]ethanone?
The InChIKey is VXRAGSBWPBDJJE-RESGDYFCSA-N. The full InChI is InChI=1S/C20H16ClFN4O2.C20H17F4N3O2.C20H16F2N4O2.C20H18FN5O2.C20H17FN4O2.C19H17ClFN3O2.C19H16F3N3O2/c1-11-8-20(2,26-19(24)28-11)14-5-12(3-4-16(14)22)7-17(27)18-15(21)6-13(9-23)10-25-18;1-11-9-19(2,27-18(25)29-11)14-7-12(3-5-15(14)21)8-17(28)16-6-4-13(10-26-16)20(22,23)24;1-11-8-20(2,26-19(24)28-11)14-5-12(3-4-15(14)21)7-17(27)18-16(22)6-13(9-23)10-25-18;1-11-8-20(2,26-19(24)28-11)14-5-12(3-4-15(14)21)7-17(27)18-16(23)6-13(9-22)10-25-18;1-12-9-20(2,25-19(23)27-12)15-7-13(3-5-16(15)21)8-18(26)17-6-4-14(10-22)11-24-17;1-11-9-19(2,24-18(22)26-11)14-7-12(3-5-15(14)21)8-17(25)16-6-4-13(20)10-23-16;1-10-8-19(2,25-18(23)27-10)13-5-11(3-4-14(13)21)6-16(26)17-15(22)7-12(20)9-24-17/h3-6,8,10H,7H2,1-2H3,(H2,24,26);3-7,9-10H,8H2,1-2H3,(H2,25,27);3-6,8,10H,7H2,1-2H3,(H2,24,26);3-6,8,10H,7,23H2,1-2H3,(H2,24,26);3-7,9,11H,8H2,1-2H3,(H2,23,25);3-7,9-10H,8H2,1-2H3,(H2,22,24);3-5,7-9H,6H2,1-2H3,(H2,23,25)/t20-;19-;3*20-;2*19-/m0000000/s1.
What are the key properties of 5-amino-6-[2-[3-[(4S)-2-amino-4,6-dimethyl-1,3-oxazin-4-yl]-4-fluorophenyl]acetyl]pyridine-3-carbonitrile;6-[2-[3-[(4S)-2-amino-4,6-dimethyl-1,3-oxazin-4-yl]-4-fluorophenyl]acetyl]-5-chloropyridine-3-carbonitrile;6-[2-[3-[(4S)-2-amino-4,6-dimethyl-1,3-oxazin-4-yl]-4-fluorophenyl]acetyl]-5-fluoropyridine-3-carbonitrile;6-[2-[3-[(4S)-2-amino-4,6-dimethyl-1,3-oxazin-4-yl]-4-fluorophenyl]acetyl]pyridine-3-carbonitrile;2-[3-[(4S)-2-amino-4,6-dimethyl-1,3-oxazin-4-yl]-4-fluorophenyl]-1-(5-chloro-2-pyridinyl)ethanone;2-[3-[(4S)-2-amino-4,6-dimethyl-1,3-oxazin-4-yl]-4-fluorophenyl]-1-(3,5-difluoro-2-pyridinyl)ethanone;2-[3-[(4S)-2-amino-4,6-dimethyl-1,3-oxazin-4-yl]-4-fluorophenyl]-1-[5-(trifluoromethyl)-2-pyridinyl]ethanone?
5-amino-6-[2-[3-[(4S)-2-amino-4,6-dimethyl-1,3-oxazin-4-yl]-4-fluorophenyl]acetyl]pyridine-3-carbonitrile;6-[2-[3-[(4S)-2-amino-4,6-dimethyl-1,3-oxazin-4-yl]-4-fluorophenyl]acetyl]-5-chloropyridine-3-carbonitrile;6-[2-[3-[(4S)-2-amino-4,6-dimethyl-1,3-oxazin-4-yl]-4-fluorophenyl]acetyl]-5-fluoropyridine-3-carbonitrile;6-[2-[3-[(4S)-2-amino-4,6-dimethyl-1,3-oxazin-4-yl]-4-fluorophenyl]acetyl]pyridine-3-carbonitrile;2-[3-[(4S)-2-amino-4,6-dimethyl-1,3-oxazin-4-yl]-4-fluorophenyl]-1-(5-chloro-2-pyridinyl)ethanone;2-[3-[(4S)-2-amino-4,6-dimethyl-1,3-oxazin-4-yl]-4-fluorophenyl]-1-(3,5-difluoro-2-pyridinyl)ethanone;2-[3-[(4S)-2-amino-4,6-dimethyl-1,3-oxazin-4-yl]-4-fluorophenyl]-1-[5-(trifluoromethyl)-2-pyridinyl]ethanone has a molecular weight of 2681.50 g/mol, XLogP of 23.58, 28 rotatable bonds, 8 hydrogen bond donors, and 40 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-6-[2-[3-[(4S)-2-amino-4,6-dimethyl-1,3-oxazin-4-yl]-4-fluorophenyl]acetyl]pyridine-3-carbonitrile;6-[2-[3-[(4S)-2-amino-4,6-dimethyl-1,3-oxazin-4-yl]-4-fluorophenyl]acetyl]-5-chloropyridine-3-carbonitrile;6-[2-[3-[(4S)-2-amino-4,6-dimethyl-1,3-oxazin-4-yl]-4-fluorophenyl]acetyl]-5-fluoropyridine-3-carbonitrile;6-[2-[3-[(4S)-2-amino-4,6-dimethyl-1,3-oxazin-4-yl]-4-fluorophenyl]acetyl]pyridine-3-carbonitrile;2-[3-[(4S)-2-amino-4,6-dimethyl-1,3-oxazin-4-yl]-4-fluorophenyl]-1-(5-chloro-2-pyridinyl)ethanone;2-[3-[(4S)-2-amino-4,6-dimethyl-1,3-oxazin-4-yl]-4-fluorophenyl]-1-(3,5-difluoro-2-pyridinyl)ethanone;2-[3-[(4S)-2-amino-4,6-dimethyl-1,3-oxazin-4-yl]-4-fluorophenyl]-1-[5-(trifluoromethyl)-2-pyridinyl]ethanone is sourced from PubChem (CID 161428296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).