2-amino-3-[[3-(1,3-benzodioxol-5-yl)phenyl]methyl]-5,5-diphenylimidazol-4-one;(6S)-2-amino-6-[1-(3-chlorobenzoyl)piperidin-3-yl]-3,6-dimethyl-5H-pyrimidin-4-one;(6S)-2-amino-6-(2,3-difluorophenyl)-3,6-dimethyl-5H-pyrimidin-4-one;3-[5-[(4S)-2-amino-1,4-dimethyl-6-oxo-5-[(E)-3-pyridin-3-ylprop-2-enyl]-5H-pyrimidin-4-yl]thiophen-3-yl]benzonitrile;2-amino-5,5-diphenyl-3-(3-pyrrol-1-ylpropyl)imidazol-4-one;5-[5-[(4R)-2-amino-4-(fluoromethyl)-1-methyl-6-oxo-5H-pyrimidin-4-yl]thiophen-3-yl]-2-fluorobenzonitrile

C123H118ClF4N23O9S2 — CID 160524284

IUPAC2-amino-3-[[3-(1,3-benzodioxol-5-yl)phenyl]methyl]-5,5-diphenylimidazol-4-one;(6S)-2-amino-6-[1-(3-chlorobenzoyl)piperidin-3-yl]-3,6-dimethyl-5H-pyrimidin-4-one;(6S)-2-amino-6-(2,3-difluorophenyl)-3,6-dimethyl-5H-pyrimidin-4-one;3-[5-[(4S)-2-amino-1,4-dimethyl-6-oxo-5-[(E)-3-pyridin-3-ylprop-2-enyl]-5H-pyrimidin-4-yl]thiophen-3-yl]benzonitrile;2-amino-5,5-diphenyl-3-(3-pyrrol-1-ylpropyl)imidazol-4-one;5-[5-[(4R)-2-amino-4-(fluoromethyl)-1-methyl-6-oxo-5H-pyrimidin-4-yl]thiophen-3-yl]-2-fluorobenzonitrile
SMILESCN1C(=O)C(C/C=C/c2cccnc2)[C@@](C)(c2cc(-c3cccc(C#N)c3)cs2)N=C1N.CN1C(=O)C[C@@](C)(C2CCCN(C(=O)c3cccc(Cl)c3)C2)N=C1N.CN1C(=O)C[C@@](C)(c2cccc(F)c2F)N=C1N.CN1C(=O)C[C@@](CF)(c2cc(-c3ccc(F)c(C#N)c3)cs2)N=C1N.NC1=NC(c2ccccc2)(c2ccccc2)C(=O)N1CCCn1cccc1.NC1=NC(c2ccccc2)(c2ccccc2)C(=O)N1Cc1cccc(-c2ccc3c(c2)OCO3)c1
InChIInChI=1S/C29H23N3O3.C25H23N5OS.C22H22N4O.C18H23ClN4O2.C17H14F2N4OS.C12H13F2N3O/c30-28-31-29(23-10-3-1-4-11-23,24-12-5-2-6-13-24)27(33)32(28)18-20-8-7-9-21(16-20)22-14-15-25-26(17-22)35-19-34-25;1-25(22-13-20(16-32-22)19-9-3-7-18(12-19)14-26)21(23(31)30(2)24(27)29-25)10-4-6-17-8-5-11-28-15-17;23-21-24-22(18-10-3-1-4-11-18,19-12-5-2-6-13-19)20(27)26(21)17-9-16-25-14-7-8-15-25;1-18(10-15(24)22(2)17(20)21-18)13-6-4-8-23(11-13)16(25)12-5-3-7-14(19)9-12;1-23-15(24)6-17(9-18,22-16(23)21)14-5-12(8-25-14)10-2-3-13(19)11(4-10)7-20;1-12(6-9(18)17(2)11(15)16-12)7-4-3-5-8(13)10(7)14/h1-17H,18-19H2,(H2,30,31);3-9,11-13,15-16,21H,10H2,1-2H3,(H2,27,29);1-8,10-15H,9,16-17H2,(H2,23,24);3,5,7,9,13H,4,6,8,10-11H2,1-2H3,(H2,20,21);2-5,8H,6,9H2,1H3,(H2,21,22);3-5H,6H2,1-2H3,(H2,15,16)/b;6-4+;;;;/t;21?,25-;;13?,18-;17-;12-/m.0.010/s1
InChIKeyQURMOLJEBJRKJM-RXJBIZBWSA-N
MW2238.03 g/mol
LogP18.32
Rot. Bonds22

About 2-amino-3-[[3-(1,3-benzodioxol-5-yl)phenyl]methyl]-5,5-diphenylimidazol-4-one;(6S)-2-amino-6-[1-(3-chlorobenzoyl)piperidin-3-yl]-3,6-dimethyl-5H-pyrimidin-4-one;(6S)-2-amino-6-(2,3-difluorophenyl)-3,6-dimethyl-5H-pyrimidin-4-one;3-[5-[(4S)-2-amino-1,4-dimethyl-6-oxo-5-[(E)-3-pyridin-3-ylprop-2-enyl]-5H-pyrimidin-4-yl]thiophen-3-yl]benzonitrile;2-amino-5,5-diphenyl-3-(3-pyrrol-1-ylpropyl)imidazol-4-one;5-[5-[(4R)-2-amino-4-(fluoromethyl)-1-methyl-6-oxo-5H-pyrimidin-4-yl]thiophen-3-yl]-2-fluorobenzonitrile

2-amino-3-[[3-(1,3-benzodioxol-5-yl)phenyl]methyl]-5,5-diphenylimidazol-4-one;(6S)-2-amino-6-[1-(3-chlorobenzoyl)piperidin-3-yl]-3,6-dimethyl-5H-pyrimidin-4-one;(6S)-2-amino-6-(2,3-difluorophenyl)-3,6-dimethyl-5H-pyrimidin-4-one;3-[5-[(4S)-2-amino-1,4-dimethyl-6-oxo-5-[(E)-3-pyridin-3-ylprop-2-enyl]-5H-pyrimidin-4-yl]thiophen-3-yl]benzonitrile;2-amino-5,5-diphenyl-3-(3-pyrrol-1-ylpropyl)imidazol-4-one;5-[5-[(4R)-2-amino-4-(fluoromethyl)-1-methyl-6-oxo-5H-pyrimidin-4-yl]thiophen-3-yl]-2-fluorobenzonitrile (PubChem CID 160524284) has the molecular formula C123H118ClF4N23O9S2 and a molecular weight of 2238.03 g/mol. Its IUPAC name is 2-amino-3-[[3-(1,3-benzodioxol-5-yl)phenyl]methyl]-5,5-diphenylimidazol-4-one;(6S)-2-amino-6-[1-(3-chlorobenzoyl)piperidin-3-yl]-3,6-dimethyl-5H-pyrimidin-4-one;(6S)-2-amino-6-(2,3-difluorophenyl)-3,6-dimethyl-5H-pyrimidin-4-one;3-[5-[(4S)-2-amino-1,4-dimethyl-6-oxo-5-[(E)-3-pyridin-3-ylprop-2-enyl]-5H-pyrimidin-4-yl]thiophen-3-yl]benzonitrile;2-amino-5,5-diphenyl-3-(3-pyrrol-1-ylpropyl)imidazol-4-one;5-[5-[(4R)-2-amino-4-(fluoromethyl)-1-methyl-6-oxo-5H-pyrimidin-4-yl]thiophen-3-yl]-2-fluorobenzonitrile.

Molecular Properties

Compound Name2-amino-3-[[3-(1,3-benzodioxol-5-yl)phenyl]methyl]-5,5-diphenylimidazol-4-one;(6S)-2-amino-6-[1-(3-chlorobenzoyl)piperidin-3-yl]-3,6-dimethyl-5H-pyrimidin-4-one;(6S)-2-amino-6-(2,3-difluorophenyl)-3,6-dimethyl-5H-pyrimidin-4-one;3-[5-[(4S)-2-amino-1,4-dimethyl-6-oxo-5-[(E)-3-pyridin-3-ylprop-2-enyl]-5H-pyrimidin-4-yl]thiophen-3-yl]benzonitrile;2-amino-5,5-diphenyl-3-(3-pyrrol-1-ylpropyl)imidazol-4-one;5-[5-[(4R)-2-amino-4-(fluoromethyl)-1-methyl-6-oxo-5H-pyrimidin-4-yl]thiophen-3-yl]-2-fluorobenzonitrile
PubChem CID160524284
Molecular FormulaC123H118ClF4N23O9S2
Molecular Weight2238.03 g/mol
Exact Mass2235.85
IUPAC Name2-amino-3-[[3-(1,3-benzodioxol-5-yl)phenyl]methyl]-5,5-diphenylimidazol-4-one;(6S)-2-amino-6-[1-(3-chlorobenzoyl)piperidin-3-yl]-3,6-dimethyl-5H-pyrimidin-4-one;(6S)-2-amino-6-(2,3-difluorophenyl)-3,6-dimethyl-5H-pyrimidin-4-one;3-[5-[(4S)-2-amino-1,4-dimethyl-6-oxo-5-[(E)-3-pyridin-3-ylprop-2-enyl]-5H-pyrimidin-4-yl]thiophen-3-yl]benzonitrile;2-amino-5,5-diphenyl-3-(3-pyrrol-1-ylpropyl)imidazol-4-one;5-[5-[(4R)-2-amino-4-(fluoromethyl)-1-methyl-6-oxo-5H-pyrimidin-4-yl]thiophen-3-yl]-2-fluorobenzonitrile
SMILESCN1C(=O)C(C/C=C/c2cccnc2)[C@@](C)(c2cc(-c3cccc(C#N)c3)cs2)N=C1N.CN1C(=O)C[C@@](C)(C2CCCN(C(=O)c3cccc(Cl)c3)C2)N=C1N.CN1C(=O)C[C@@](C)(c2cccc(F)c2F)N=C1N.CN1C(=O)C[C@@](CF)(c2cc(-c3ccc(F)c(C#N)c3)cs2)N=C1N.NC1=NC(c2ccccc2)(c2ccccc2)C(=O)N1CCCn1cccc1.NC1=NC(c2ccccc2)(c2ccccc2)C(=O)N1Cc1cccc(-c2ccc3c(c2)OCO3)c1
InChIInChI=1S/C29H23N3O3.C25H23N5OS.C22H22N4O.C18H23ClN4O2.C17H14F2N4OS.C12H13F2N3O/c30-28-31-29(23-10-3-1-4-11-23,24-12-5-2-6-13-24)27(33)32(28)18-20-8-7-9-21(16-20)22-14-15-25-26(17-22)35-19-34-25;1-25(22-13-20(16-32-22)19-9-3-7-18(12-19)14-26)21(23(31)30(2)24(27)29-25)10-4-6-17-8-5-11-28-15-17;23-21-24-22(18-10-3-1-4-11-18,19-12-5-2-6-13-19)20(27)26(21)17-9-16-25-14-7-8-15-25;1-18(10-15(24)22(2)17(20)21-18)13-6-4-8-23(11-13)16(25)12-5-3-7-14(19)9-12;1-23-15(24)6-17(9-18,22-16(23)21)14-5-12(8-25-14)10-2-3-13(19)11(4-10)7-20;1-12(6-9(18)17(2)11(15)16-12)7-4-3-5-8(13)10(7)14/h1-17H,18-19H2,(H2,30,31);3-9,11-13,15-16,21H,10H2,1-2H3,(H2,27,29);1-8,10-15H,9,16-17H2,(H2,23,24);3,5,7,9,13H,4,6,8,10-11H2,1-2H3,(H2,20,21);2-5,8H,6,9H2,1H3,(H2,21,22);3-5H,6H2,1-2H3,(H2,15,16)/b;6-4+;;;;/t;21?,25-;;13?,18-;17-;12-/m.0.010/s1
InChIKeyQURMOLJEBJRKJM-RXJBIZBWSA-N
XLogP18.32
TPSA456.31 Ų
H-Bond Donors6
H-Bond Acceptors27
Rotatable Bonds22
Heavy Atoms162
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002238.03
LogP ≤ 518.32
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1027

Analyze 2-amino-3-[[3-(1,3-benzodioxol-5-yl)phenyl]methyl]-5,5-diphenylimidazol-4-one;(6S)-2-amino-6-[1-(3-chlorobenzoyl)piperidin-3-yl]-3,6-dimethyl-5H-pyrimidin-4-one;(6S)-2-amino-6-(2,3-difluorophenyl)-3,6-dimethyl-5H-pyrimidin-4-one;3-[5-[(4S)-2-amino-1,4-dimethyl-6-oxo-5-[(E)-3-pyridin-3-ylprop-2-enyl]-5H-pyrimidin-4-yl]thiophen-3-yl]benzonitrile;2-amino-5,5-diphenyl-3-(3-pyrrol-1-ylpropyl)imidazol-4-one;5-[5-[(4R)-2-amino-4-(fluoromethyl)-1-methyl-6-oxo-5H-pyrimidin-4-yl]thiophen-3-yl]-2-fluorobenzonitrile with MolForge

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Related Compounds

(5R,6S)-2-amino-5-benzyl-3,6-dimethyl-6-[4-[3-(trifluoromethoxy)phenyl]thiophen-2-yl]-5H-pyrimidin-4-one;N-[(1R,3S)-3-[[(4R)-2-amino-4-(2-cyclohexylethyl)-1-methyl-5-oxoimidazol-4-yl]methyl]cyclohexyl]-3-chlorobenzamide;2-amino-5-[3-(5-fluoro-3-pyridinyl)phenyl]-3-methyl-5-phenylimidazol-4-one;5-[(2-amino-5-oxo-4,4-diphenylimidazol-1-yl)methyl]-N,N-dipropylpyridine-3-carboxamide
CID 157493785
3-[2-[(4S,5R)-2-amino-5-(1,3-benzodioxol-5-yl)-1,4-dimethyl-6-oxo-5H-pyrimidin-4-yl]-1,3-thiazol-4-yl]benzonitrile;(5R)-2-amino-5-(2-cyclohexylethyl)-5-[[(1S,3R)-3-(dimethylamino)cyclohexyl]methyl]-3-methylimidazol-4-one;3-[5-[(4S)-2-amino-1,4-dimethyl-6-oxo-5H-pyrimidin-4-yl]thiophen-3-yl]-2-fluorobenzonitrile;3-[5-[(4S,5S)-2-amino-1,4-dimethyl-6-oxo-5-[5-(trifluoromethyl)-2-pyridinyl]-5H-pyrimidin-4-yl]thiophen-3-yl]benzonitrile
CID 157579658
N-[1-[[2-[3-[1-[(1-acetylpiperidin-4-yl)methyl]-2-amino-4-methyl-5-oxoimidazol-4-yl]phenyl]-4-methoxyphenyl]methyl]pyrrolidin-3-yl]acetamide;3-[5-[(4S,5S)-2-amino-5-(5-chloro-2-pyridinyl)-1,4-dimethyl-6-oxo-5H-pyrimidin-4-yl]thiophen-3-yl]benzonitrile;3-[5-[(4S,5R)-2-amino-5-(5-chloro-2-pyridinyl)-1,4-dimethyl-6-oxo-5H-pyrimidin-4-yl]thiophen-3-yl]benzonitrile;(6S)-2-amino-3,6-dimethyl-6-[4-methyl-5-[3-(trifluoromethoxy)phenyl]thiophen-2-yl]-5H-pyrimidin-4-one;3-[3-[(4S,5S)-2-amino-1,4-dimethyl-6-oxo-5-propyl-5H-pyrimidin-4-yl]phenyl]benzonitrile
CID 160491267
2-amino-5-[5-(1,3-benzodioxol-5-yl)thiophen-2-yl]-3-methyl-5-phenylimidazol-4-one;(6S)-2-amino-3,6-dimethyl-6-[1-[(1-methylindol-3-yl)methyl]piperidin-3-yl]-5H-pyrimidin-4-one;N-[[2-[3-(2-amino-1,4-dimethyl-5-oxoimidazol-4-yl)phenyl]-4-chlorophenyl]methyl]-2-methoxybenzamide;(6S)-2-amino-3,6-dimethyl-6-(6-pyridin-3-ylpyrazin-2-yl)-5H-pyrimidin-4-one;3-[5-[(4S,5S)-2-amino-5-(4-ethylsulfonylphenyl)-1,4-dimethyl-6-oxo-5H-pyrimidin-4-yl]thiophen-3-yl]benzonitrile
CID 157393722
(5R)-2-amino-5-butyl-3-methyl-5-[(3R)-1-(2-phenylacetyl)piperidin-3-yl]imidazol-4-one;(5R,6S)-2-amino-5-cyclopropyl-3,6-dimethyl-6-(4-pyridin-3-ylthiophen-2-yl)-5H-pyrimidin-4-one;3-[2-[(4S)-2-amino-1,4-dimethyl-6-oxo-5H-pyrimidin-4-yl]-1,3-thiazol-5-yl]-5-chlorobenzonitrile;(6S)-2-amino-6-[5-(3-fluoro-5-propan-2-yloxyphenyl)-1,3-thiazol-2-yl]-3,6-dimethyl-5H-pyrimidin-4-one;(5S,6S)-2-amino-5-(4-methoxyphenyl)-3,6-dimethyl-6-(1,3-thiazol-5-yl)-5H-pyrimidin-4-one;(5R,6S)-2-amino-5-(4-methoxyphenyl)-3,6-dimethyl-6-(1,3-thiazol-5-yl)-5H-pyrimidin-4-one;3-[5-[(4S)-2-amino-4-methyl-6-oxo-1-(pyridin-4-ylmethyl)-5H-pyrimidin-4-yl]thiophen-3-yl]benzonitrile
CID 157486825
(2S)-2-amino-N-[4-(2-amino-5-oxo-4,4-diphenylimidazol-1-yl)butyl]-2-phenylacetamide;2-amino-3-[[(3S)-1-benzoylpyrrolidin-3-yl]methyl]-5-[3-(3-chlorophenyl)phenyl]-5-methylimidazol-4-one;3-[5-[(4S,5S)-2-amino-1,4-dimethyl-6-oxo-5-(6-propan-2-yloxy-3-pyridinyl)-5H-pyrimidin-4-yl]thiophen-3-yl]benzonitrile;3-[5-[(4S,5R)-2-amino-1,4-dimethyl-6-oxo-5-(6-propan-2-yloxy-3-pyridinyl)-5H-pyrimidin-4-yl]thiophen-3-yl]benzonitrile
CID 158205710
3-[5-[(4S,5R)-2-amino-5-cyclopropyl-1,4-dimethyl-6-oxo-5H-pyrimidin-4-yl]thiophen-3-yl]-5-chlorobenzonitrile;3-[5-[(4S)-2-amino-1,4-dimethyl-5-[3-(4-methylphenyl)propyl]-6-oxo-5H-pyrimidin-4-yl]thiophen-3-yl]benzonitrile;2-amino-3-[[3-[(2R)-2-(methoxymethyl)pyrrolidine-1-carbonyl]phenyl]methyl]-5-methyl-5-phenylimidazol-4-one;(6S)-2-amino-6-[3-(2-methoxy-3-pyridinyl)phenyl]-3,6-dimethyl-5H-pyrimidin-4-one;3-[5-[(4S,5R)-2-amino-1,4,5-trimethyl-6-oxo-5H-pyrimidin-4-yl]thiophen-3-yl]-5-chlorobenzonitrile
CID 159422142
3-[[3-(5-Acetylthiophen-2-yl)phenyl]methyl]-2-amino-5,5-diphenylimidazol-4-one;2-amino-3-[[3-(1,3-benzodioxol-5-yl)phenyl]methyl]-5,5-diphenylimidazol-4-one;2-amino-5,5-diphenyl-3-(3-pyrrol-1-ylpropyl)imidazol-4-one;2-amino-3-[[3-(4-methyl-2-oxopentyl)phenyl]methyl]-5,5-diphenylimidazol-4-one;2-amino-3-(6-oxo-8-phenyloctyl)-5,5-diphenylimidazol-4-one
CID 160293297
3-[5-[(4S)-2-amino-5-(1,3-benzodioxol-5-yl)-1,4-dimethyl-6-oxo-5H-pyrimidin-4-yl]thiophen-3-yl]-5-fluorobenzonitrile;(5S,6S)-2-amino-5-cyclopropyl-3,6-dimethyl-6-(5-pyridin-3-ylthiophen-2-yl)-5H-pyrimidin-4-one;1-[[2-[3-(2-amino-1,4-dimethyl-5-oxoimidazol-4-yl)phenyl]-4-chlorophenyl]methyl]-3-cyclohexylurea;4-[[5-[(4S)-2-amino-1,4-dimethyl-6-oxo-5H-pyrimidin-4-yl]thiophen-3-yl]methyl]benzonitrile;(6S)-2-amino-3,6-dimethyl-6-[4-(3-pyrrolidin-1-ylphenyl)thiophen-2-yl]-5H-pyrimidin-4-one
CID 160947708

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-[[3-(1,3-benzodioxol-5-yl)phenyl]methyl]-5,5-diphenylimidazol-4-one;(6S)-2-amino-6-[1-(3-chlorobenzoyl)piperidin-3-yl]-3,6-dimethyl-5H-pyrimidin-4-one;(6S)-2-amino-6-(2,3-difluorophenyl)-3,6-dimethyl-5H-pyrimidin-4-one;3-[5-[(4S)-2-amino-1,4-dimethyl-6-oxo-5-[(E)-3-pyridin-3-ylprop-2-enyl]-5H-pyrimidin-4-yl]thiophen-3-yl]benzonitrile;2-amino-5,5-diphenyl-3-(3-pyrrol-1-ylpropyl)imidazol-4-one;5-[5-[(4R)-2-amino-4-(fluoromethyl)-1-methyl-6-oxo-5H-pyrimidin-4-yl]thiophen-3-yl]-2-fluorobenzonitrile?
The IUPAC name of 2-amino-3-[[3-(1,3-benzodioxol-5-yl)phenyl]methyl]-5,5-diphenylimidazol-4-one;(6S)-2-amino-6-[1-(3-chlorobenzoyl)piperidin-3-yl]-3,6-dimethyl-5H-pyrimidin-4-one;(6S)-2-amino-6-(2,3-difluorophenyl)-3,6-dimethyl-5H-pyrimidin-4-one;3-[5-[(4S)-2-amino-1,4-dimethyl-6-oxo-5-[(E)-3-pyridin-3-ylprop-2-enyl]-5H-pyrimidin-4-yl]thiophen-3-yl]benzonitrile;2-amino-5,5-diphenyl-3-(3-pyrrol-1-ylpropyl)imidazol-4-one;5-[5-[(4R)-2-amino-4-(fluoromethyl)-1-methyl-6-oxo-5H-pyrimidin-4-yl]thiophen-3-yl]-2-fluorobenzonitrile (CID 160524284) is 2-amino-3-[[3-(1,3-benzodioxol-5-yl)phenyl]methyl]-5,5-diphenylimidazol-4-one;(6S)-2-amino-6-[1-(3-chlorobenzoyl)piperidin-3-yl]-3,6-dimethyl-5H-pyrimidin-4-one;(6S)-2-amino-6-(2,3-difluorophenyl)-3,6-dimethyl-5H-pyrimidin-4-one;3-[5-[(4S)-2-amino-1,4-dimethyl-6-oxo-5-[(E)-3-pyridin-3-ylprop-2-enyl]-5H-pyrimidin-4-yl]thiophen-3-yl]benzonitrile;2-amino-5,5-diphenyl-3-(3-pyrrol-1-ylpropyl)imidazol-4-one;5-[5-[(4R)-2-amino-4-(fluoromethyl)-1-methyl-6-oxo-5H-pyrimidin-4-yl]thiophen-3-yl]-2-fluorobenzonitrile.
What is the SMILES notation for 2-amino-3-[[3-(1,3-benzodioxol-5-yl)phenyl]methyl]-5,5-diphenylimidazol-4-one;(6S)-2-amino-6-[1-(3-chlorobenzoyl)piperidin-3-yl]-3,6-dimethyl-5H-pyrimidin-4-one;(6S)-2-amino-6-(2,3-difluorophenyl)-3,6-dimethyl-5H-pyrimidin-4-one;3-[5-[(4S)-2-amino-1,4-dimethyl-6-oxo-5-[(E)-3-pyridin-3-ylprop-2-enyl]-5H-pyrimidin-4-yl]thiophen-3-yl]benzonitrile;2-amino-5,5-diphenyl-3-(3-pyrrol-1-ylpropyl)imidazol-4-one;5-[5-[(4R)-2-amino-4-(fluoromethyl)-1-methyl-6-oxo-5H-pyrimidin-4-yl]thiophen-3-yl]-2-fluorobenzonitrile?
The canonical SMILES for 2-amino-3-[[3-(1,3-benzodioxol-5-yl)phenyl]methyl]-5,5-diphenylimidazol-4-one;(6S)-2-amino-6-[1-(3-chlorobenzoyl)piperidin-3-yl]-3,6-dimethyl-5H-pyrimidin-4-one;(6S)-2-amino-6-(2,3-difluorophenyl)-3,6-dimethyl-5H-pyrimidin-4-one;3-[5-[(4S)-2-amino-1,4-dimethyl-6-oxo-5-[(E)-3-pyridin-3-ylprop-2-enyl]-5H-pyrimidin-4-yl]thiophen-3-yl]benzonitrile;2-amino-5,5-diphenyl-3-(3-pyrrol-1-ylpropyl)imidazol-4-one;5-[5-[(4R)-2-amino-4-(fluoromethyl)-1-methyl-6-oxo-5H-pyrimidin-4-yl]thiophen-3-yl]-2-fluorobenzonitrile is CN1C(=O)C(C/C=C/c2cccnc2)[C@@](C)(c2cc(-c3cccc(C#N)c3)cs2)N=C1N.CN1C(=O)C[C@@](C)(C2CCCN(C(=O)c3cccc(Cl)c3)C2)N=C1N.CN1C(=O)C[C@@](C)(c2cccc(F)c2F)N=C1N.CN1C(=O)C[C@@](CF)(c2cc(-c3ccc(F)c(C#N)c3)cs2)N=C1N.NC1=NC(c2ccccc2)(c2ccccc2)C(=O)N1CCCn1cccc1.NC1=NC(c2ccccc2)(c2ccccc2)C(=O)N1Cc1cccc(-c2ccc3c(c2)OCO3)c1.
What is the InChIKey of 2-amino-3-[[3-(1,3-benzodioxol-5-yl)phenyl]methyl]-5,5-diphenylimidazol-4-one;(6S)-2-amino-6-[1-(3-chlorobenzoyl)piperidin-3-yl]-3,6-dimethyl-5H-pyrimidin-4-one;(6S)-2-amino-6-(2,3-difluorophenyl)-3,6-dimethyl-5H-pyrimidin-4-one;3-[5-[(4S)-2-amino-1,4-dimethyl-6-oxo-5-[(E)-3-pyridin-3-ylprop-2-enyl]-5H-pyrimidin-4-yl]thiophen-3-yl]benzonitrile;2-amino-5,5-diphenyl-3-(3-pyrrol-1-ylpropyl)imidazol-4-one;5-[5-[(4R)-2-amino-4-(fluoromethyl)-1-methyl-6-oxo-5H-pyrimidin-4-yl]thiophen-3-yl]-2-fluorobenzonitrile?
The InChIKey is QURMOLJEBJRKJM-RXJBIZBWSA-N. The full InChI is InChI=1S/C29H23N3O3.C25H23N5OS.C22H22N4O.C18H23ClN4O2.C17H14F2N4OS.C12H13F2N3O/c30-28-31-29(23-10-3-1-4-11-23,24-12-5-2-6-13-24)27(33)32(28)18-20-8-7-9-21(16-20)22-14-15-25-26(17-22)35-19-34-25;1-25(22-13-20(16-32-22)19-9-3-7-18(12-19)14-26)21(23(31)30(2)24(27)29-25)10-4-6-17-8-5-11-28-15-17;23-21-24-22(18-10-3-1-4-11-18,19-12-5-2-6-13-19)20(27)26(21)17-9-16-25-14-7-8-15-25;1-18(10-15(24)22(2)17(20)21-18)13-6-4-8-23(11-13)16(25)12-5-3-7-14(19)9-12;1-23-15(24)6-17(9-18,22-16(23)21)14-5-12(8-25-14)10-2-3-13(19)11(4-10)7-20;1-12(6-9(18)17(2)11(15)16-12)7-4-3-5-8(13)10(7)14/h1-17H,18-19H2,(H2,30,31);3-9,11-13,15-16,21H,10H2,1-2H3,(H2,27,29);1-8,10-15H,9,16-17H2,(H2,23,24);3,5,7,9,13H,4,6,8,10-11H2,1-2H3,(H2,20,21);2-5,8H,6,9H2,1H3,(H2,21,22);3-5H,6H2,1-2H3,(H2,15,16)/b;6-4+;;;;/t;21?,25-;;13?,18-;17-;12-/m.0.010/s1.
What are the key properties of 2-amino-3-[[3-(1,3-benzodioxol-5-yl)phenyl]methyl]-5,5-diphenylimidazol-4-one;(6S)-2-amino-6-[1-(3-chlorobenzoyl)piperidin-3-yl]-3,6-dimethyl-5H-pyrimidin-4-one;(6S)-2-amino-6-(2,3-difluorophenyl)-3,6-dimethyl-5H-pyrimidin-4-one;3-[5-[(4S)-2-amino-1,4-dimethyl-6-oxo-5-[(E)-3-pyridin-3-ylprop-2-enyl]-5H-pyrimidin-4-yl]thiophen-3-yl]benzonitrile;2-amino-5,5-diphenyl-3-(3-pyrrol-1-ylpropyl)imidazol-4-one;5-[5-[(4R)-2-amino-4-(fluoromethyl)-1-methyl-6-oxo-5H-pyrimidin-4-yl]thiophen-3-yl]-2-fluorobenzonitrile?
2-amino-3-[[3-(1,3-benzodioxol-5-yl)phenyl]methyl]-5,5-diphenylimidazol-4-one;(6S)-2-amino-6-[1-(3-chlorobenzoyl)piperidin-3-yl]-3,6-dimethyl-5H-pyrimidin-4-one;(6S)-2-amino-6-(2,3-difluorophenyl)-3,6-dimethyl-5H-pyrimidin-4-one;3-[5-[(4S)-2-amino-1,4-dimethyl-6-oxo-5-[(E)-3-pyridin-3-ylprop-2-enyl]-5H-pyrimidin-4-yl]thiophen-3-yl]benzonitrile;2-amino-5,5-diphenyl-3-(3-pyrrol-1-ylpropyl)imidazol-4-one;5-[5-[(4R)-2-amino-4-(fluoromethyl)-1-methyl-6-oxo-5H-pyrimidin-4-yl]thiophen-3-yl]-2-fluorobenzonitrile has a molecular weight of 2238.03 g/mol, XLogP of 18.32, 22 rotatable bonds, 6 hydrogen bond donors, and 27 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-[[3-(1,3-benzodioxol-5-yl)phenyl]methyl]-5,5-diphenylimidazol-4-one;(6S)-2-amino-6-[1-(3-chlorobenzoyl)piperidin-3-yl]-3,6-dimethyl-5H-pyrimidin-4-one;(6S)-2-amino-6-(2,3-difluorophenyl)-3,6-dimethyl-5H-pyrimidin-4-one;3-[5-[(4S)-2-amino-1,4-dimethyl-6-oxo-5-[(E)-3-pyridin-3-ylprop-2-enyl]-5H-pyrimidin-4-yl]thiophen-3-yl]benzonitrile;2-amino-5,5-diphenyl-3-(3-pyrrol-1-ylpropyl)imidazol-4-one;5-[5-[(4R)-2-amino-4-(fluoromethyl)-1-methyl-6-oxo-5H-pyrimidin-4-yl]thiophen-3-yl]-2-fluorobenzonitrile is sourced from PubChem (CID 160524284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).