2-amino-5-[3-(3-chlorophenyl)phenyl]-3-[[(3S)-1-(cyclohexylmethyl)pyrrolidin-3-yl]methyl]-5-methylimidazol-4-one;(6S)-2-amino-3,6-dimethyl-6-[1-(3-methylbutyl)piperidin-3-yl]-5H-pyrimidin-4-one;3-[(4S)-2-amino-1,4-dimethyl-6-oxo-5H-pyrimidin-4-yl]-N-cyclohexylpiperidine-1-carboxamide;3-[5-[(4S)-2-amino-1,4-dimethyl-6-oxo-5H-pyrimidin-4-yl]-3-ethylthiophen-2-yl]benzonitrile;5-[6-[(4S)-2-amino-1,4-dimethyl-6-oxo-5H-pyrimidin-4-yl]pyrazin-2-yl]thiophene-2-carbonitrile;3-[5-[(4S)-2-amino-1,4-dimethyl-6-oxo-5-[5-(trifluoromethyl)-2-pyridinyl]-5H-pyrimidin-4-yl]thiophen-2-yl]benzonitrile

C119H148ClF3N28O7S3 — CID 159965660

IUPAC2-amino-5-[3-(3-chlorophenyl)phenyl]-3-[[(3S)-1-(cyclohexylmethyl)pyrrolidin-3-yl]methyl]-5-methylimidazol-4-one;(6S)-2-amino-3,6-dimethyl-6-[1-(3-methylbutyl)piperidin-3-yl]-5H-pyrimidin-4-one;3-[(4S)-2-amino-1,4-dimethyl-6-oxo-5H-pyrimidin-4-yl]-N-cyclohexylpiperidine-1-carboxamide;3-[5-[(4S)-2-amino-1,4-dimethyl-6-oxo-5H-pyrimidin-4-yl]-3-ethylthiophen-2-yl]benzonitrile;5-[6-[(4S)-2-amino-1,4-dimethyl-6-oxo-5H-pyrimidin-4-yl]pyrazin-2-yl]thiophene-2-carbonitrile;3-[5-[(4S)-2-amino-1,4-dimethyl-6-oxo-5-[5-(trifluoromethyl)-2-pyridinyl]-5H-pyrimidin-4-yl]thiophen-2-yl]benzonitrile
SMILESCC(C)CCN1CCCC([C@]2(C)CC(=O)N(C)C(N)=N2)C1.CC1(c2cccc(-c3cccc(Cl)c3)c2)N=C(N)N(C[C@H]2CCN(CC3CCCCC3)C2)C1=O.CCc1cc([C@]2(C)CC(=O)N(C)C(N)=N2)sc1-c1cccc(C#N)c1.CN1C(=O)C(c2ccc(C(F)(F)F)cn2)[C@@](C)(c2ccc(-c3cccc(C#N)c3)s2)N=C1N.CN1C(=O)C[C@@](C)(C2CCCN(C(=O)NC3CCCCC3)C2)N=C1N.CN1C(=O)C[C@@](C)(c2cncc(-c3ccc(C#N)s3)n2)N=C1N
InChIInChI=1S/C28H35ClN4O.C23H18F3N5OS.C19H20N4OS.C18H31N5O2.C16H30N4O.C15H14N6OS/c1-28(24-11-5-9-22(15-24)23-10-6-12-25(29)16-23)26(34)33(27(30)31-28)19-21-13-14-32(18-21)17-20-7-3-2-4-8-20;1-22(18-9-8-17(33-18)14-5-3-4-13(10-14)11-27)19(20(32)31(2)21(28)30-22)16-7-6-15(12-29-16)23(24,25)26;1-4-13-9-15(19(2)10-16(24)23(3)18(21)22-19)25-17(13)14-7-5-6-12(8-14)11-20;1-18(11-15(24)22(2)16(19)21-18)13-7-6-10-23(12-13)17(25)20-14-8-4-3-5-9-14;1-12(2)7-9-20-8-5-6-13(11-20)16(3)10-14(21)19(4)15(17)18-16;1-15(5-13(22)21(2)14(17)20-15)12-8-18-7-10(19-12)11-4-3-9(6-16)23-11/h5-6,9-12,15-16,20-21H,2-4,7-8,13-14,17-19H2,1H3,(H2,30,31);3-10,12,19H,1-2H3,(H2,28,30);5-9H,4,10H2,1-3H3,(H2,21,22);13-14H,3-12H2,1-2H3,(H2,19,21)(H,20,25);12-13H,5-11H2,1-4H3,(H2,17,18);3-4,7-8H,5H2,1-2H3,(H2,17,20)/t21-,28?;19?,22-;19-;13?,18-;13?,16-;15-/m010000/s1
InChIKeyODWYKCMQVKGVST-KMULCBIOSA-N
MW2271.33 g/mol
LogP17.83
Rot. Bonds20

About 2-amino-5-[3-(3-chlorophenyl)phenyl]-3-[[(3S)-1-(cyclohexylmethyl)pyrrolidin-3-yl]methyl]-5-methylimidazol-4-one;(6S)-2-amino-3,6-dimethyl-6-[1-(3-methylbutyl)piperidin-3-yl]-5H-pyrimidin-4-one;3-[(4S)-2-amino-1,4-dimethyl-6-oxo-5H-pyrimidin-4-yl]-N-cyclohexylpiperidine-1-carboxamide;3-[5-[(4S)-2-amino-1,4-dimethyl-6-oxo-5H-pyrimidin-4-yl]-3-ethylthiophen-2-yl]benzonitrile;5-[6-[(4S)-2-amino-1,4-dimethyl-6-oxo-5H-pyrimidin-4-yl]pyrazin-2-yl]thiophene-2-carbonitrile;3-[5-[(4S)-2-amino-1,4-dimethyl-6-oxo-5-[5-(trifluoromethyl)-2-pyridinyl]-5H-pyrimidin-4-yl]thiophen-2-yl]benzonitrile

2-amino-5-[3-(3-chlorophenyl)phenyl]-3-[[(3S)-1-(cyclohexylmethyl)pyrrolidin-3-yl]methyl]-5-methylimidazol-4-one;(6S)-2-amino-3,6-dimethyl-6-[1-(3-methylbutyl)piperidin-3-yl]-5H-pyrimidin-4-one;3-[(4S)-2-amino-1,4-dimethyl-6-oxo-5H-pyrimidin-4-yl]-N-cyclohexylpiperidine-1-carboxamide;3-[5-[(4S)-2-amino-1,4-dimethyl-6-oxo-5H-pyrimidin-4-yl]-3-ethylthiophen-2-yl]benzonitrile;5-[6-[(4S)-2-amino-1,4-dimethyl-6-oxo-5H-pyrimidin-4-yl]pyrazin-2-yl]thiophene-2-carbonitrile;3-[5-[(4S)-2-amino-1,4-dimethyl-6-oxo-5-[5-(trifluoromethyl)-2-pyridinyl]-5H-pyrimidin-4-yl]thiophen-2-yl]benzonitrile (PubChem CID 159965660) has the molecular formula C119H148ClF3N28O7S3 and a molecular weight of 2271.33 g/mol. Its IUPAC name is 2-amino-5-[3-(3-chlorophenyl)phenyl]-3-[[(3S)-1-(cyclohexylmethyl)pyrrolidin-3-yl]methyl]-5-methylimidazol-4-one;(6S)-2-amino-3,6-dimethyl-6-[1-(3-methylbutyl)piperidin-3-yl]-5H-pyrimidin-4-one;3-[(4S)-2-amino-1,4-dimethyl-6-oxo-5H-pyrimidin-4-yl]-N-cyclohexylpiperidine-1-carboxamide;3-[5-[(4S)-2-amino-1,4-dimethyl-6-oxo-5H-pyrimidin-4-yl]-3-ethylthiophen-2-yl]benzonitrile;5-[6-[(4S)-2-amino-1,4-dimethyl-6-oxo-5H-pyrimidin-4-yl]pyrazin-2-yl]thiophene-2-carbonitrile;3-[5-[(4S)-2-amino-1,4-dimethyl-6-oxo-5-[5-(trifluoromethyl)-2-pyridinyl]-5H-pyrimidin-4-yl]thiophen-2-yl]benzonitrile.

Molecular Properties

Compound Name2-amino-5-[3-(3-chlorophenyl)phenyl]-3-[[(3S)-1-(cyclohexylmethyl)pyrrolidin-3-yl]methyl]-5-methylimidazol-4-one;(6S)-2-amino-3,6-dimethyl-6-[1-(3-methylbutyl)piperidin-3-yl]-5H-pyrimidin-4-one;3-[(4S)-2-amino-1,4-dimethyl-6-oxo-5H-pyrimidin-4-yl]-N-cyclohexylpiperidine-1-carboxamide;3-[5-[(4S)-2-amino-1,4-dimethyl-6-oxo-5H-pyrimidin-4-yl]-3-ethylthiophen-2-yl]benzonitrile;5-[6-[(4S)-2-amino-1,4-dimethyl-6-oxo-5H-pyrimidin-4-yl]pyrazin-2-yl]thiophene-2-carbonitrile;3-[5-[(4S)-2-amino-1,4-dimethyl-6-oxo-5-[5-(trifluoromethyl)-2-pyridinyl]-5H-pyrimidin-4-yl]thiophen-2-yl]benzonitrile
PubChem CID159965660
Molecular FormulaC119H148ClF3N28O7S3
Molecular Weight2271.33 g/mol
Exact Mass2269.09
IUPAC Name2-amino-5-[3-(3-chlorophenyl)phenyl]-3-[[(3S)-1-(cyclohexylmethyl)pyrrolidin-3-yl]methyl]-5-methylimidazol-4-one;(6S)-2-amino-3,6-dimethyl-6-[1-(3-methylbutyl)piperidin-3-yl]-5H-pyrimidin-4-one;3-[(4S)-2-amino-1,4-dimethyl-6-oxo-5H-pyrimidin-4-yl]-N-cyclohexylpiperidine-1-carboxamide;3-[5-[(4S)-2-amino-1,4-dimethyl-6-oxo-5H-pyrimidin-4-yl]-3-ethylthiophen-2-yl]benzonitrile;5-[6-[(4S)-2-amino-1,4-dimethyl-6-oxo-5H-pyrimidin-4-yl]pyrazin-2-yl]thiophene-2-carbonitrile;3-[5-[(4S)-2-amino-1,4-dimethyl-6-oxo-5-[5-(trifluoromethyl)-2-pyridinyl]-5H-pyrimidin-4-yl]thiophen-2-yl]benzonitrile
SMILESCC(C)CCN1CCCC([C@]2(C)CC(=O)N(C)C(N)=N2)C1.CC1(c2cccc(-c3cccc(Cl)c3)c2)N=C(N)N(C[C@H]2CCN(CC3CCCCC3)C2)C1=O.CCc1cc([C@]2(C)CC(=O)N(C)C(N)=N2)sc1-c1cccc(C#N)c1.CN1C(=O)C(c2ccc(C(F)(F)F)cn2)[C@@](C)(c2ccc(-c3cccc(C#N)c3)s2)N=C1N.CN1C(=O)C[C@@](C)(C2CCCN(C(=O)NC3CCCCC3)C2)N=C1N.CN1C(=O)C[C@@](C)(c2cncc(-c3ccc(C#N)s3)n2)N=C1N
InChIInChI=1S/C28H35ClN4O.C23H18F3N5OS.C19H20N4OS.C18H31N5O2.C16H30N4O.C15H14N6OS/c1-28(24-11-5-9-22(15-24)23-10-6-12-25(29)16-23)26(34)33(27(30)31-28)19-21-13-14-32(18-21)17-20-7-3-2-4-8-20;1-22(18-9-8-17(33-18)14-5-3-4-13(10-14)11-27)19(20(32)31(2)21(28)30-22)16-7-6-15(12-29-16)23(24,25)26;1-4-13-9-15(19(2)10-16(24)23(3)18(21)22-19)25-17(13)14-7-5-6-12(8-14)11-20;1-18(11-15(24)22(2)16(19)21-18)13-7-6-10-23(12-13)17(25)20-14-8-4-3-5-9-14;1-12(2)7-9-20-8-5-6-13(11-20)16(3)10-14(21)19(4)15(17)18-16;1-15(5-13(22)21(2)14(17)20-15)12-8-18-7-10(19-12)11-4-3-9(6-16)23-11/h5-6,9-12,15-16,20-21H,2-4,7-8,13-14,17-19H2,1H3,(H2,30,31);3-10,12,19H,1-2H3,(H2,28,30);5-9H,4,10H2,1-3H3,(H2,21,22);13-14H,3-12H2,1-2H3,(H2,19,21)(H,20,25);12-13H,5-11H2,1-4H3,(H2,17,18);3-4,7-8H,5H2,1-2H3,(H2,17,20)/t21-,28?;19?,22-;19-;13?,18-;13?,16-;15-/m010000/s1
InChIKeyODWYKCMQVKGVST-KMULCBIOSA-N
XLogP17.83
TPSA501.00 Ų
H-Bond Donors7
H-Bond Acceptors30
Rotatable Bonds20
Heavy Atoms161
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002271.33
LogP ≤ 517.83
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 1030

Analyze 2-amino-5-[3-(3-chlorophenyl)phenyl]-3-[[(3S)-1-(cyclohexylmethyl)pyrrolidin-3-yl]methyl]-5-methylimidazol-4-one;(6S)-2-amino-3,6-dimethyl-6-[1-(3-methylbutyl)piperidin-3-yl]-5H-pyrimidin-4-one;3-[(4S)-2-amino-1,4-dimethyl-6-oxo-5H-pyrimidin-4-yl]-N-cyclohexylpiperidine-1-carboxamide;3-[5-[(4S)-2-amino-1,4-dimethyl-6-oxo-5H-pyrimidin-4-yl]-3-ethylthiophen-2-yl]benzonitrile;5-[6-[(4S)-2-amino-1,4-dimethyl-6-oxo-5H-pyrimidin-4-yl]pyrazin-2-yl]thiophene-2-carbonitrile;3-[5-[(4S)-2-amino-1,4-dimethyl-6-oxo-5-[5-(trifluoromethyl)-2-pyridinyl]-5H-pyrimidin-4-yl]thiophen-2-yl]benzonitrile with MolForge

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Launch Full Analysis

Related Compounds

3-[(1-acetylpiperidin-4-yl)methyl]-2-amino-5-methyl-5-[3-(1H-pyrazol-4-yl)phenyl]imidazol-4-one;5-[(4S,5S)-2-amino-5-[4-(1-cyanocyclobutyl)phenyl]-1,4-dimethyl-6-oxo-5H-pyrimidin-4-yl]thiophene-2-carbonitrile;5-[(4S,5R)-2-amino-5-[4-(1-cyanocyclobutyl)phenyl]-1,4-dimethyl-6-oxo-5H-pyrimidin-4-yl]thiophene-2-carbonitrile;(6S)-2-amino-3,6-dimethyl-6-piperidin-3-yl-5H-pyrimidin-4-one;benzyl 4-[(4S,5R)-2-amino-4-[4-(5-cyano-3-pyridinyl)thiophen-2-yl]-1,4-dimethyl-6-oxo-5H-pyrimidin-5-yl]piperidine-1-carboxylate
CID 159392394
(6S)-2-amino-6-(1-benzylsulfonylpiperidin-3-yl)-3,6-dimethyl-5H-pyrimidin-4-one;3-[5-[(4S,5R)-2-amino-5-cyclopropyl-1,4-dimethyl-6-oxo-5H-pyrimidin-4-yl]thiophen-2-yl]benzonitrile;(6S)-2-amino-3,6-dimethyl-6-[1-[(3-phenoxyphenyl)methyl]piperidin-3-yl]-5H-pyrimidin-4-one;(6S)-2-amino-6-[5-(5-methoxy-3-pyridinyl)-4-methylthiophen-2-yl]-3,6-dimethyl-5H-pyrimidin-4-one;3-[(2-amino-5-oxo-4,4-diphenylimidazol-1-yl)methyl]-N-[(4-methoxyphenyl)methyl]benzamide
CID 157075373
5-[(4'S,8R)-2'-amino-3-(1,1-difluoroethyl)-1',4'-dimethyl-6'-oxospiro[bicyclo[4.2.0]octa-1(6),2,4-triene-8,5'-pyrimidine]-4'-yl]thiophene-2-carbonitrile;3-[(4S,5S)-2-amino-5-[4-(1,1-difluoroethyl)phenyl]-1,4-dimethyl-6-oxo-5H-pyrimidin-4-yl]benzonitrile;(6S)-2-amino-3,6-dimethyl-6-(4-pyrimidin-5-yl-2-pyridinyl)-5H-pyrimidin-4-one;1-[4-(2-amino-5-oxo-4,4-diphenylimidazol-1-yl)butyl]-3-propan-2-ylurea;5-[5-[(4S)-2-amino-1,4,5-trimethyl-6-oxo-5H-pyrimidin-4-yl]thiophen-3-yl]pyridine-3-carbonitrile;2,3-dihydro-1-benzofuran
CID 159734085
2-amino-5-[3-(3-chlorophenyl)phenyl]-5-cyclopropyl-3-(cyclopropylmethyl)imidazol-4-one;N-[(1R,3S)-3-[[(4R)-2-amino-4-(2-cyclohexylethyl)-1-methyl-5-oxoimidazol-4-yl]methyl]cyclohexyl]-6-methylpyridine-3-carboxamide;(6S)-2-amino-3,6-dimethyl-6-[5-[3-(trifluoromethoxy)phenyl]thiophen-2-yl]-5H-pyrimidin-4-one
CID 161120470
(6S)-2-amino-6-[5-[5-(5-chloro-3-pyridinyl)-3-pyridinyl]-1,3-thiazol-2-yl]-3,6-dimethyl-5H-pyrimidin-4-one;3-[(4S,5S)-2-amino-5-(4-cyclopropylphenyl)-1,4-dimethyl-6-oxo-5H-pyrimidin-4-yl]benzonitrile;3-[5-[(4S)-2-amino-1,4-dimethyl-6-oxo-5-(3-phenylpropyl)-5H-pyrimidin-4-yl]thiophen-3-yl]benzonitrile;2-amino-5,5-diphenyl-3-[(3-pyrimidin-5-ylphenyl)methyl]imidazol-4-one;2-amino-3-methyl-5-[5-(3-methylphenyl)thiophen-2-yl]-5-phenylimidazol-4-one;2-amino-3-methyl-5-phenyl-5-(3-pyridin-3-ylphenyl)imidazol-4-one
CID 159809956
(2R)-2-amino-N-[4-(2-amino-5-oxo-4,4-diphenylimidazol-1-yl)butyl]-3-phenylpropanamide;3-[5-[(4S,5S)-2-amino-5-(1,3-benzodioxol-5-yl)-1,4-dimethyl-6-oxo-5H-pyrimidin-4-yl]thiophen-3-yl]benzonitrile;3-[5-[(4S,5R)-2-amino-5-(1,3-benzodioxol-5-yl)-1,4-dimethyl-6-oxo-5H-pyrimidin-4-yl]thiophen-3-yl]benzonitrile;1-[[2-[3-(2-amino-1,4-dimethyl-5-oxoimidazol-4-yl)phenyl]phenyl]methyl]-3-phenylurea;5-[4-[(4S)-2-amino-1,4-dimethyl-6-oxo-5H-pyrimidin-4-yl]-2-pyridinyl]thiophene-2-carbonitrile
CID 157099029
(5R,6S)-2-amino-6-[4-bromo-5-(hydroxymethyl)thiophen-2-yl]-5-(4-cyclopropylphenyl)-3,6-dimethyl-5H-pyrimidin-4-one;(6S)-2-amino-6-[6-(3-chlorophenyl)pyrazin-2-yl]-3,6-dimethyl-5H-pyrimidin-4-one;(6S)-2-amino-3,6-dimethyl-6-(7-pyridin-4-yl-1-benzothiophen-2-yl)-5H-pyrimidin-4-one;2-amino-3-[(1-methylimidazol-2-yl)methyl]-5,5-diphenylimidazol-4-one;3-[(2-amino-5-oxo-4,4-diphenylimidazol-1-yl)methyl]-N-cyclobutylbenzamide
CID 159124578
3-[5-[2-amino-5-[4-(1-cyanocyclobutyl)phenyl]-1,4-dimethyl-6-oxo-5H-pyrimidin-4-yl]thiophen-2-yl]benzonitrile
CID 70131501
2-amino-6-[3-(1,3-benzodioxol-5-yl)phenyl]-3-methyl-6-phenyl-5H-pyrimidin-4-one;5-[5-[(4S)-2-amino-5-(1-benzofuran-6-yl)-1,4-dimethyl-6-oxo-5H-pyrimidin-4-yl]thiophen-3-yl]pyridine-3-carbonitrile;3-[[2-amino-4-(3-bromophenyl)-4-methyl-5-oxoimidazol-1-yl]methyl]-N,N-dipropylbenzamide;(5R)-2-amino-5-[(3R)-1-(3-chlorophenyl)piperidin-3-yl]-3,5-dimethylimidazol-4-one;(6S)-2-amino-6-[1-[(3-methoxyphenyl)methyl]piperidin-3-yl]-3,6-dimethyl-5H-pyrimidin-4-one
CID 158151039
(6S)-2-amino-6-(4-bromothiophen-2-yl)-3,6-dimethyl-5-[4-(2-oxoazetidin-1-yl)phenyl]-5H-pyrimidin-4-one;2-amino-5-[3-(3-chlorophenyl)phenyl]-5-cyclopropyl-3-(3,5-dimethyl-1,2-oxazol-4-yl)imidazol-4-one;(6S)-2-amino-6-[4-(5-chloro-2-propoxyphenyl)thiophen-2-yl]-3,6-dimethyl-5H-pyrimidin-4-one;3-[5-[(4S,5S)-2-amino-5-(2,3-dihydro-1-benzofuran-5-yl)-1,4-dimethyl-6-oxo-5H-pyrimidin-4-yl]thiophen-3-yl]benzonitrile;3-[(4S)-2-amino-1,4-dimethyl-6-oxo-5H-pyrimidin-4-yl]-N-(3,4-dichlorophenyl)piperidine-1-carboxamide
CID 160760858
(5S,6S)-2-amino-5-(1,3-benzodioxol-5-yl)-6-(2-bromo-1,3-thiazol-5-yl)-3,6-dimethyl-5H-pyrimidin-4-one;(5R,6S)-2-amino-5-(1,3-benzodioxol-5-yl)-6-(2-bromo-1,3-thiazol-5-yl)-3,6-dimethyl-5H-pyrimidin-4-one;2-amino-5-(3-bromophenyl)-5-cyclohexyl-3-methylimidazol-4-one;2-amino-5-[5-(3,5-dichlorophenyl)thiophen-2-yl]-3-methyl-5-phenylimidazol-4-one;5-[5-[(4S)-2-amino-1,4-dimethyl-6-oxo-5H-pyrimidin-4-yl]-1-methylpyrazol-3-yl]benzene-1,3-dicarbonitrile
CID 157258680
3-[[3-(4-acetylpiperazine-1-carbonyl)phenyl]methyl]-2-amino-5,5-diphenylimidazol-4-one;2-amino-5-[3-(3-chlorophenyl)phenyl]-3-[[(3S)-1-cyclohexylpyrrolidin-3-yl]methyl]-5-methylimidazol-4-one;2-amino-3-[2-(dimethylamino)ethyl]-5,5-diphenylimidazol-4-one;(6S)-2-amino-3,6-dimethyl-6-(4-thiophen-2-yl-2-pyridinyl)-5H-pyrimidin-4-one;2-amino-3-methyl-5-[5-(3-methylsulfanylphenyl)thiophen-2-yl]-5-phenylimidazol-4-one;1-[4-(2-amino-5-oxo-4,4-diphenylimidazol-1-yl)butyl]-3-(4-fluorophenyl)urea
CID 159280437

Frequently Asked Questions

What is the IUPAC name of 2-amino-5-[3-(3-chlorophenyl)phenyl]-3-[[(3S)-1-(cyclohexylmethyl)pyrrolidin-3-yl]methyl]-5-methylimidazol-4-one;(6S)-2-amino-3,6-dimethyl-6-[1-(3-methylbutyl)piperidin-3-yl]-5H-pyrimidin-4-one;3-[(4S)-2-amino-1,4-dimethyl-6-oxo-5H-pyrimidin-4-yl]-N-cyclohexylpiperidine-1-carboxamide;3-[5-[(4S)-2-amino-1,4-dimethyl-6-oxo-5H-pyrimidin-4-yl]-3-ethylthiophen-2-yl]benzonitrile;5-[6-[(4S)-2-amino-1,4-dimethyl-6-oxo-5H-pyrimidin-4-yl]pyrazin-2-yl]thiophene-2-carbonitrile;3-[5-[(4S)-2-amino-1,4-dimethyl-6-oxo-5-[5-(trifluoromethyl)-2-pyridinyl]-5H-pyrimidin-4-yl]thiophen-2-yl]benzonitrile?
The IUPAC name of 2-amino-5-[3-(3-chlorophenyl)phenyl]-3-[[(3S)-1-(cyclohexylmethyl)pyrrolidin-3-yl]methyl]-5-methylimidazol-4-one;(6S)-2-amino-3,6-dimethyl-6-[1-(3-methylbutyl)piperidin-3-yl]-5H-pyrimidin-4-one;3-[(4S)-2-amino-1,4-dimethyl-6-oxo-5H-pyrimidin-4-yl]-N-cyclohexylpiperidine-1-carboxamide;3-[5-[(4S)-2-amino-1,4-dimethyl-6-oxo-5H-pyrimidin-4-yl]-3-ethylthiophen-2-yl]benzonitrile;5-[6-[(4S)-2-amino-1,4-dimethyl-6-oxo-5H-pyrimidin-4-yl]pyrazin-2-yl]thiophene-2-carbonitrile;3-[5-[(4S)-2-amino-1,4-dimethyl-6-oxo-5-[5-(trifluoromethyl)-2-pyridinyl]-5H-pyrimidin-4-yl]thiophen-2-yl]benzonitrile (CID 159965660) is 2-amino-5-[3-(3-chlorophenyl)phenyl]-3-[[(3S)-1-(cyclohexylmethyl)pyrrolidin-3-yl]methyl]-5-methylimidazol-4-one;(6S)-2-amino-3,6-dimethyl-6-[1-(3-methylbutyl)piperidin-3-yl]-5H-pyrimidin-4-one;3-[(4S)-2-amino-1,4-dimethyl-6-oxo-5H-pyrimidin-4-yl]-N-cyclohexylpiperidine-1-carboxamide;3-[5-[(4S)-2-amino-1,4-dimethyl-6-oxo-5H-pyrimidin-4-yl]-3-ethylthiophen-2-yl]benzonitrile;5-[6-[(4S)-2-amino-1,4-dimethyl-6-oxo-5H-pyrimidin-4-yl]pyrazin-2-yl]thiophene-2-carbonitrile;3-[5-[(4S)-2-amino-1,4-dimethyl-6-oxo-5-[5-(trifluoromethyl)-2-pyridinyl]-5H-pyrimidin-4-yl]thiophen-2-yl]benzonitrile.
What is the SMILES notation for 2-amino-5-[3-(3-chlorophenyl)phenyl]-3-[[(3S)-1-(cyclohexylmethyl)pyrrolidin-3-yl]methyl]-5-methylimidazol-4-one;(6S)-2-amino-3,6-dimethyl-6-[1-(3-methylbutyl)piperidin-3-yl]-5H-pyrimidin-4-one;3-[(4S)-2-amino-1,4-dimethyl-6-oxo-5H-pyrimidin-4-yl]-N-cyclohexylpiperidine-1-carboxamide;3-[5-[(4S)-2-amino-1,4-dimethyl-6-oxo-5H-pyrimidin-4-yl]-3-ethylthiophen-2-yl]benzonitrile;5-[6-[(4S)-2-amino-1,4-dimethyl-6-oxo-5H-pyrimidin-4-yl]pyrazin-2-yl]thiophene-2-carbonitrile;3-[5-[(4S)-2-amino-1,4-dimethyl-6-oxo-5-[5-(trifluoromethyl)-2-pyridinyl]-5H-pyrimidin-4-yl]thiophen-2-yl]benzonitrile?
The canonical SMILES for 2-amino-5-[3-(3-chlorophenyl)phenyl]-3-[[(3S)-1-(cyclohexylmethyl)pyrrolidin-3-yl]methyl]-5-methylimidazol-4-one;(6S)-2-amino-3,6-dimethyl-6-[1-(3-methylbutyl)piperidin-3-yl]-5H-pyrimidin-4-one;3-[(4S)-2-amino-1,4-dimethyl-6-oxo-5H-pyrimidin-4-yl]-N-cyclohexylpiperidine-1-carboxamide;3-[5-[(4S)-2-amino-1,4-dimethyl-6-oxo-5H-pyrimidin-4-yl]-3-ethylthiophen-2-yl]benzonitrile;5-[6-[(4S)-2-amino-1,4-dimethyl-6-oxo-5H-pyrimidin-4-yl]pyrazin-2-yl]thiophene-2-carbonitrile;3-[5-[(4S)-2-amino-1,4-dimethyl-6-oxo-5-[5-(trifluoromethyl)-2-pyridinyl]-5H-pyrimidin-4-yl]thiophen-2-yl]benzonitrile is CC(C)CCN1CCCC([C@]2(C)CC(=O)N(C)C(N)=N2)C1.CC1(c2cccc(-c3cccc(Cl)c3)c2)N=C(N)N(C[C@H]2CCN(CC3CCCCC3)C2)C1=O.CCc1cc([C@]2(C)CC(=O)N(C)C(N)=N2)sc1-c1cccc(C#N)c1.CN1C(=O)C(c2ccc(C(F)(F)F)cn2)[C@@](C)(c2ccc(-c3cccc(C#N)c3)s2)N=C1N.CN1C(=O)C[C@@](C)(C2CCCN(C(=O)NC3CCCCC3)C2)N=C1N.CN1C(=O)C[C@@](C)(c2cncc(-c3ccc(C#N)s3)n2)N=C1N.
What is the InChIKey of 2-amino-5-[3-(3-chlorophenyl)phenyl]-3-[[(3S)-1-(cyclohexylmethyl)pyrrolidin-3-yl]methyl]-5-methylimidazol-4-one;(6S)-2-amino-3,6-dimethyl-6-[1-(3-methylbutyl)piperidin-3-yl]-5H-pyrimidin-4-one;3-[(4S)-2-amino-1,4-dimethyl-6-oxo-5H-pyrimidin-4-yl]-N-cyclohexylpiperidine-1-carboxamide;3-[5-[(4S)-2-amino-1,4-dimethyl-6-oxo-5H-pyrimidin-4-yl]-3-ethylthiophen-2-yl]benzonitrile;5-[6-[(4S)-2-amino-1,4-dimethyl-6-oxo-5H-pyrimidin-4-yl]pyrazin-2-yl]thiophene-2-carbonitrile;3-[5-[(4S)-2-amino-1,4-dimethyl-6-oxo-5-[5-(trifluoromethyl)-2-pyridinyl]-5H-pyrimidin-4-yl]thiophen-2-yl]benzonitrile?
The InChIKey is ODWYKCMQVKGVST-KMULCBIOSA-N. The full InChI is InChI=1S/C28H35ClN4O.C23H18F3N5OS.C19H20N4OS.C18H31N5O2.C16H30N4O.C15H14N6OS/c1-28(24-11-5-9-22(15-24)23-10-6-12-25(29)16-23)26(34)33(27(30)31-28)19-21-13-14-32(18-21)17-20-7-3-2-4-8-20;1-22(18-9-8-17(33-18)14-5-3-4-13(10-14)11-27)19(20(32)31(2)21(28)30-22)16-7-6-15(12-29-16)23(24,25)26;1-4-13-9-15(19(2)10-16(24)23(3)18(21)22-19)25-17(13)14-7-5-6-12(8-14)11-20;1-18(11-15(24)22(2)16(19)21-18)13-7-6-10-23(12-13)17(25)20-14-8-4-3-5-9-14;1-12(2)7-9-20-8-5-6-13(11-20)16(3)10-14(21)19(4)15(17)18-16;1-15(5-13(22)21(2)14(17)20-15)12-8-18-7-10(19-12)11-4-3-9(6-16)23-11/h5-6,9-12,15-16,20-21H,2-4,7-8,13-14,17-19H2,1H3,(H2,30,31);3-10,12,19H,1-2H3,(H2,28,30);5-9H,4,10H2,1-3H3,(H2,21,22);13-14H,3-12H2,1-2H3,(H2,19,21)(H,20,25);12-13H,5-11H2,1-4H3,(H2,17,18);3-4,7-8H,5H2,1-2H3,(H2,17,20)/t21-,28?;19?,22-;19-;13?,18-;13?,16-;15-/m010000/s1.
What are the key properties of 2-amino-5-[3-(3-chlorophenyl)phenyl]-3-[[(3S)-1-(cyclohexylmethyl)pyrrolidin-3-yl]methyl]-5-methylimidazol-4-one;(6S)-2-amino-3,6-dimethyl-6-[1-(3-methylbutyl)piperidin-3-yl]-5H-pyrimidin-4-one;3-[(4S)-2-amino-1,4-dimethyl-6-oxo-5H-pyrimidin-4-yl]-N-cyclohexylpiperidine-1-carboxamide;3-[5-[(4S)-2-amino-1,4-dimethyl-6-oxo-5H-pyrimidin-4-yl]-3-ethylthiophen-2-yl]benzonitrile;5-[6-[(4S)-2-amino-1,4-dimethyl-6-oxo-5H-pyrimidin-4-yl]pyrazin-2-yl]thiophene-2-carbonitrile;3-[5-[(4S)-2-amino-1,4-dimethyl-6-oxo-5-[5-(trifluoromethyl)-2-pyridinyl]-5H-pyrimidin-4-yl]thiophen-2-yl]benzonitrile?
2-amino-5-[3-(3-chlorophenyl)phenyl]-3-[[(3S)-1-(cyclohexylmethyl)pyrrolidin-3-yl]methyl]-5-methylimidazol-4-one;(6S)-2-amino-3,6-dimethyl-6-[1-(3-methylbutyl)piperidin-3-yl]-5H-pyrimidin-4-one;3-[(4S)-2-amino-1,4-dimethyl-6-oxo-5H-pyrimidin-4-yl]-N-cyclohexylpiperidine-1-carboxamide;3-[5-[(4S)-2-amino-1,4-dimethyl-6-oxo-5H-pyrimidin-4-yl]-3-ethylthiophen-2-yl]benzonitrile;5-[6-[(4S)-2-amino-1,4-dimethyl-6-oxo-5H-pyrimidin-4-yl]pyrazin-2-yl]thiophene-2-carbonitrile;3-[5-[(4S)-2-amino-1,4-dimethyl-6-oxo-5-[5-(trifluoromethyl)-2-pyridinyl]-5H-pyrimidin-4-yl]thiophen-2-yl]benzonitrile has a molecular weight of 2271.33 g/mol, XLogP of 17.83, 20 rotatable bonds, 7 hydrogen bond donors, and 30 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5-[3-(3-chlorophenyl)phenyl]-3-[[(3S)-1-(cyclohexylmethyl)pyrrolidin-3-yl]methyl]-5-methylimidazol-4-one;(6S)-2-amino-3,6-dimethyl-6-[1-(3-methylbutyl)piperidin-3-yl]-5H-pyrimidin-4-one;3-[(4S)-2-amino-1,4-dimethyl-6-oxo-5H-pyrimidin-4-yl]-N-cyclohexylpiperidine-1-carboxamide;3-[5-[(4S)-2-amino-1,4-dimethyl-6-oxo-5H-pyrimidin-4-yl]-3-ethylthiophen-2-yl]benzonitrile;5-[6-[(4S)-2-amino-1,4-dimethyl-6-oxo-5H-pyrimidin-4-yl]pyrazin-2-yl]thiophene-2-carbonitrile;3-[5-[(4S)-2-amino-1,4-dimethyl-6-oxo-5-[5-(trifluoromethyl)-2-pyridinyl]-5H-pyrimidin-4-yl]thiophen-2-yl]benzonitrile is sourced from PubChem (CID 159965660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).