N-[4-[3-[1-[acetyl(ethyl)amino]ethyl]phenyl]-1-methyl-5-oxo-4-phenylimidazol-2-yl]acetamide;2-amino-3-[(1-benzyl-5-oxopyrrolidin-3-yl)methyl]-5-(3-bromophenyl)-5-methylimidazol-4-one;5-[5-[(4S,5R)-2-amino-5-cyclopropyl-1,4-dimethyl-6-oxo-5H-pyrimidin-4-yl]thiophen-2-yl]pyridine-3-carbonitrile;5-[5-[(4S,5S)-2-amino-5-cyclopropyl-1,4-dimethyl-6-oxo-5H-pyrimidin-4-yl]thiophen-2-yl]pyridine-3-carbonitrile;3-[5-(2-amino-4-cyclopropyl-1-methyl-6-oxo-5H-pyrimidin-4-yl)thiophen-2-yl]benzonitrile;(5S,6S)-2-amino-5-[4-(1,1-difluoropropyl)phenyl]-6-(2-fluorophenyl)-3,6-dimethyl-5H-pyrimidin-4-one;(5R,6S)-2-amino-5-[4-(1,1-difluoropropyl)phenyl]-6-(2-fluorophenyl)-3,6-dimethyl-5H-pyrimidin-4-one

C145H151BrF6N28O10S3 — CID 159230545

IUPACN-[4-[3-[1-[acetyl(ethyl)amino]ethyl]phenyl]-1-methyl-5-oxo-4-phenylimidazol-2-yl]acetamide;2-amino-3-[(1-benzyl-5-oxopyrrolidin-3-yl)methyl]-5-(3-bromophenyl)-5-methylimidazol-4-one;5-[5-[(4S,5R)-2-amino-5-cyclopropyl-1,4-dimethyl-6-oxo-5H-pyrimidin-4-yl]thiophen-2-yl]pyridine-3-carbonitrile;5-[5-[(4S,5S)-2-amino-5-cyclopropyl-1,4-dimethyl-6-oxo-5H-pyrimidin-4-yl]thiophen-2-yl]pyridine-3-carbonitrile;3-[5-(2-amino-4-cyclopropyl-1-methyl-6-oxo-5H-pyrimidin-4-yl)thiophen-2-yl]benzonitrile;(5S,6S)-2-amino-5-[4-(1,1-difluoropropyl)phenyl]-6-(2-fluorophenyl)-3,6-dimethyl-5H-pyrimidin-4-one;(5R,6S)-2-amino-5-[4-(1,1-difluoropropyl)phenyl]-6-(2-fluorophenyl)-3,6-dimethyl-5H-pyrimidin-4-one
SMILESCC1(c2cccc(Br)c2)N=C(N)N(CC2CC(=O)N(Cc3ccccc3)C2)C1=O.CCC(F)(F)c1ccc([C@@H]2C(=O)N(C)C(N)=N[C@]2(C)c2ccccc2F)cc1.CCC(F)(F)c1ccc([C@H]2C(=O)N(C)C(N)=N[C@]2(C)c2ccccc2F)cc1.CCN(C(C)=O)C(C)c1cccc(C2(c3ccccc3)N=C(NC(C)=O)N(C)C2=O)c1.CN1C(=O)CC(c2ccc(-c3cccc(C#N)c3)s2)(C2CC2)N=C1N.CN1C(=O)[C@@H](C2CC2)[C@@](C)(c2ccc(-c3cncc(C#N)c3)s2)N=C1N.CN1C(=O)[C@H](C2CC2)[C@@](C)(c2ccc(-c3cncc(C#N)c3)s2)N=C1N
InChIInChI=1S/C24H28N4O3.C22H23BrN4O2.2C21H22F3N3O.2C19H19N5OS.C19H18N4OS/c1-6-28(18(4)30)16(2)19-11-10-14-21(15-19)24(20-12-8-7-9-13-20)22(31)27(5)23(26-24)25-17(3)29;1-22(17-8-5-9-18(23)11-17)20(29)27(21(24)25-22)14-16-10-19(28)26(13-16)12-15-6-3-2-4-7-15;2*1-4-21(23,24)14-11-9-13(10-12-14)17-18(28)27(3)19(25)26-20(17,2)15-7-5-6-8-16(15)22;2*1-19(16(12-3-4-12)17(25)24(2)18(21)23-19)15-6-5-14(26-15)13-7-11(8-20)9-22-10-13;1-23-17(24)10-19(14-5-6-14,22-18(23)21)16-8-7-15(25-16)13-4-2-3-12(9-13)11-20/h7-16H,6H2,1-5H3,(H,25,26,29);2-9,11,16H,10,12-14H2,1H3,(H2,24,25);2*5-12,17H,4H2,1-3H3,(H2,25,26);2*5-7,9-10,12,16H,3-4H2,1-2H3,(H2,21,23);2-4,7-9,14H,5-6,10H2,1H3,(H2,21,22)/t;;17-,20+;17-,20-;16-,19+;16-,19-;/m..0101./s1
InChIKeyKSVNRESWMASZHN-JPHBTQEKSA-N
MW2736.08 g/mol
LogP22.41
Rot. Bonds27

About N-[4-[3-[1-[acetyl(ethyl)amino]ethyl]phenyl]-1-methyl-5-oxo-4-phenylimidazol-2-yl]acetamide;2-amino-3-[(1-benzyl-5-oxopyrrolidin-3-yl)methyl]-5-(3-bromophenyl)-5-methylimidazol-4-one;5-[5-[(4S,5R)-2-amino-5-cyclopropyl-1,4-dimethyl-6-oxo-5H-pyrimidin-4-yl]thiophen-2-yl]pyridine-3-carbonitrile;5-[5-[(4S,5S)-2-amino-5-cyclopropyl-1,4-dimethyl-6-oxo-5H-pyrimidin-4-yl]thiophen-2-yl]pyridine-3-carbonitrile;3-[5-(2-amino-4-cyclopropyl-1-methyl-6-oxo-5H-pyrimidin-4-yl)thiophen-2-yl]benzonitrile;(5S,6S)-2-amino-5-[4-(1,1-difluoropropyl)phenyl]-6-(2-fluorophenyl)-3,6-dimethyl-5H-pyrimidin-4-one;(5R,6S)-2-amino-5-[4-(1,1-difluoropropyl)phenyl]-6-(2-fluorophenyl)-3,6-dimethyl-5H-pyrimidin-4-one

N-[4-[3-[1-[acetyl(ethyl)amino]ethyl]phenyl]-1-methyl-5-oxo-4-phenylimidazol-2-yl]acetamide;2-amino-3-[(1-benzyl-5-oxopyrrolidin-3-yl)methyl]-5-(3-bromophenyl)-5-methylimidazol-4-one;5-[5-[(4S,5R)-2-amino-5-cyclopropyl-1,4-dimethyl-6-oxo-5H-pyrimidin-4-yl]thiophen-2-yl]pyridine-3-carbonitrile;5-[5-[(4S,5S)-2-amino-5-cyclopropyl-1,4-dimethyl-6-oxo-5H-pyrimidin-4-yl]thiophen-2-yl]pyridine-3-carbonitrile;3-[5-(2-amino-4-cyclopropyl-1-methyl-6-oxo-5H-pyrimidin-4-yl)thiophen-2-yl]benzonitrile;(5S,6S)-2-amino-5-[4-(1,1-difluoropropyl)phenyl]-6-(2-fluorophenyl)-3,6-dimethyl-5H-pyrimidin-4-one;(5R,6S)-2-amino-5-[4-(1,1-difluoropropyl)phenyl]-6-(2-fluorophenyl)-3,6-dimethyl-5H-pyrimidin-4-one (PubChem CID 159230545) has the molecular formula C145H151BrF6N28O10S3 and a molecular weight of 2736.08 g/mol. Its IUPAC name is N-[4-[3-[1-[acetyl(ethyl)amino]ethyl]phenyl]-1-methyl-5-oxo-4-phenylimidazol-2-yl]acetamide;2-amino-3-[(1-benzyl-5-oxopyrrolidin-3-yl)methyl]-5-(3-bromophenyl)-5-methylimidazol-4-one;5-[5-[(4S,5R)-2-amino-5-cyclopropyl-1,4-dimethyl-6-oxo-5H-pyrimidin-4-yl]thiophen-2-yl]pyridine-3-carbonitrile;5-[5-[(4S,5S)-2-amino-5-cyclopropyl-1,4-dimethyl-6-oxo-5H-pyrimidin-4-yl]thiophen-2-yl]pyridine-3-carbonitrile;3-[5-(2-amino-4-cyclopropyl-1-methyl-6-oxo-5H-pyrimidin-4-yl)thiophen-2-yl]benzonitrile;(5S,6S)-2-amino-5-[4-(1,1-difluoropropyl)phenyl]-6-(2-fluorophenyl)-3,6-dimethyl-5H-pyrimidin-4-one;(5R,6S)-2-amino-5-[4-(1,1-difluoropropyl)phenyl]-6-(2-fluorophenyl)-3,6-dimethyl-5H-pyrimidin-4-one.

Molecular Properties

Compound NameN-[4-[3-[1-[acetyl(ethyl)amino]ethyl]phenyl]-1-methyl-5-oxo-4-phenylimidazol-2-yl]acetamide;2-amino-3-[(1-benzyl-5-oxopyrrolidin-3-yl)methyl]-5-(3-bromophenyl)-5-methylimidazol-4-one;5-[5-[(4S,5R)-2-amino-5-cyclopropyl-1,4-dimethyl-6-oxo-5H-pyrimidin-4-yl]thiophen-2-yl]pyridine-3-carbonitrile;5-[5-[(4S,5S)-2-amino-5-cyclopropyl-1,4-dimethyl-6-oxo-5H-pyrimidin-4-yl]thiophen-2-yl]pyridine-3-carbonitrile;3-[5-(2-amino-4-cyclopropyl-1-methyl-6-oxo-5H-pyrimidin-4-yl)thiophen-2-yl]benzonitrile;(5S,6S)-2-amino-5-[4-(1,1-difluoropropyl)phenyl]-6-(2-fluorophenyl)-3,6-dimethyl-5H-pyrimidin-4-one;(5R,6S)-2-amino-5-[4-(1,1-difluoropropyl)phenyl]-6-(2-fluorophenyl)-3,6-dimethyl-5H-pyrimidin-4-one
PubChem CID159230545
Molecular FormulaC145H151BrF6N28O10S3
Molecular Weight2736.08 g/mol
Exact Mass2733.04
IUPAC NameN-[4-[3-[1-[acetyl(ethyl)amino]ethyl]phenyl]-1-methyl-5-oxo-4-phenylimidazol-2-yl]acetamide;2-amino-3-[(1-benzyl-5-oxopyrrolidin-3-yl)methyl]-5-(3-bromophenyl)-5-methylimidazol-4-one;5-[5-[(4S,5R)-2-amino-5-cyclopropyl-1,4-dimethyl-6-oxo-5H-pyrimidin-4-yl]thiophen-2-yl]pyridine-3-carbonitrile;5-[5-[(4S,5S)-2-amino-5-cyclopropyl-1,4-dimethyl-6-oxo-5H-pyrimidin-4-yl]thiophen-2-yl]pyridine-3-carbonitrile;3-[5-(2-amino-4-cyclopropyl-1-methyl-6-oxo-5H-pyrimidin-4-yl)thiophen-2-yl]benzonitrile;(5S,6S)-2-amino-5-[4-(1,1-difluoropropyl)phenyl]-6-(2-fluorophenyl)-3,6-dimethyl-5H-pyrimidin-4-one;(5R,6S)-2-amino-5-[4-(1,1-difluoropropyl)phenyl]-6-(2-fluorophenyl)-3,6-dimethyl-5H-pyrimidin-4-one
SMILESCC1(c2cccc(Br)c2)N=C(N)N(CC2CC(=O)N(Cc3ccccc3)C2)C1=O.CCC(F)(F)c1ccc([C@@H]2C(=O)N(C)C(N)=N[C@]2(C)c2ccccc2F)cc1.CCC(F)(F)c1ccc([C@H]2C(=O)N(C)C(N)=N[C@]2(C)c2ccccc2F)cc1.CCN(C(C)=O)C(C)c1cccc(C2(c3ccccc3)N=C(NC(C)=O)N(C)C2=O)c1.CN1C(=O)CC(c2ccc(-c3cccc(C#N)c3)s2)(C2CC2)N=C1N.CN1C(=O)[C@@H](C2CC2)[C@@](C)(c2ccc(-c3cncc(C#N)c3)s2)N=C1N.CN1C(=O)[C@H](C2CC2)[C@@](C)(c2ccc(-c3cncc(C#N)c3)s2)N=C1N
InChIInChI=1S/C24H28N4O3.C22H23BrN4O2.2C21H22F3N3O.2C19H19N5OS.C19H18N4OS/c1-6-28(18(4)30)16(2)19-11-10-14-21(15-19)24(20-12-8-7-9-13-20)22(31)27(5)23(26-24)25-17(3)29;1-22(17-8-5-9-18(23)11-17)20(29)27(21(24)25-22)14-16-10-19(28)26(13-16)12-15-6-3-2-4-7-15;2*1-4-21(23,24)14-11-9-13(10-12-14)17-18(28)27(3)19(25)26-20(17,2)15-7-5-6-8-16(15)22;2*1-19(16(12-3-4-12)17(25)24(2)18(21)23-19)15-6-5-14(26-15)13-7-11(8-20)9-22-10-13;1-23-17(24)10-19(14-5-6-14,22-18(23)21)16-8-7-15(25-16)13-4-2-3-12(9-13)11-20/h7-16H,6H2,1-5H3,(H,25,26,29);2-9,11,16H,10,12-14H2,1H3,(H2,24,25);2*5-12,17H,4H2,1-3H3,(H2,25,26);2*5-7,9-10,12,16H,3-4H2,1-2H3,(H2,21,23);2-4,7-9,14H,5-6,10H2,1H3,(H2,21,22)/t;;17-,20+;17-,20-;16-,19+;16-,19-;/m..0101./s1
InChIKeyKSVNRESWMASZHN-JPHBTQEKSA-N
XLogP22.41
TPSA551.68 Ų
H-Bond Donors7
H-Bond Acceptors31
Rotatable Bonds27
Heavy Atoms193
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002736.08
LogP ≤ 522.41
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 1031

Analyze N-[4-[3-[1-[acetyl(ethyl)amino]ethyl]phenyl]-1-methyl-5-oxo-4-phenylimidazol-2-yl]acetamide;2-amino-3-[(1-benzyl-5-oxopyrrolidin-3-yl)methyl]-5-(3-bromophenyl)-5-methylimidazol-4-one;5-[5-[(4S,5R)-2-amino-5-cyclopropyl-1,4-dimethyl-6-oxo-5H-pyrimidin-4-yl]thiophen-2-yl]pyridine-3-carbonitrile;5-[5-[(4S,5S)-2-amino-5-cyclopropyl-1,4-dimethyl-6-oxo-5H-pyrimidin-4-yl]thiophen-2-yl]pyridine-3-carbonitrile;3-[5-(2-amino-4-cyclopropyl-1-methyl-6-oxo-5H-pyrimidin-4-yl)thiophen-2-yl]benzonitrile;(5S,6S)-2-amino-5-[4-(1,1-difluoropropyl)phenyl]-6-(2-fluorophenyl)-3,6-dimethyl-5H-pyrimidin-4-one;(5R,6S)-2-amino-5-[4-(1,1-difluoropropyl)phenyl]-6-(2-fluorophenyl)-3,6-dimethyl-5H-pyrimidin-4-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[4-[3-[1-[acetyl(ethyl)amino]ethyl]phenyl]-1-methyl-5-oxo-4-phenylimidazol-2-yl]acetamide;2-amino-3-[(1-benzyl-5-oxopyrrolidin-3-yl)methyl]-5-(3-bromophenyl)-5-methylimidazol-4-one;5-[5-[(4S,5R)-2-amino-5-cyclopropyl-1,4-dimethyl-6-oxo-5H-pyrimidin-4-yl]thiophen-2-yl]pyridine-3-carbonitrile;5-[5-[(4S,5S)-2-amino-5-cyclopropyl-1,4-dimethyl-6-oxo-5H-pyrimidin-4-yl]thiophen-2-yl]pyridine-3-carbonitrile;3-[5-(2-amino-4-cyclopropyl-1-methyl-6-oxo-5H-pyrimidin-4-yl)thiophen-2-yl]benzonitrile;(5S,6S)-2-amino-5-[4-(1,1-difluoropropyl)phenyl]-6-(2-fluorophenyl)-3,6-dimethyl-5H-pyrimidin-4-one;(5R,6S)-2-amino-5-[4-(1,1-difluoropropyl)phenyl]-6-(2-fluorophenyl)-3,6-dimethyl-5H-pyrimidin-4-one?
The IUPAC name of N-[4-[3-[1-[acetyl(ethyl)amino]ethyl]phenyl]-1-methyl-5-oxo-4-phenylimidazol-2-yl]acetamide;2-amino-3-[(1-benzyl-5-oxopyrrolidin-3-yl)methyl]-5-(3-bromophenyl)-5-methylimidazol-4-one;5-[5-[(4S,5R)-2-amino-5-cyclopropyl-1,4-dimethyl-6-oxo-5H-pyrimidin-4-yl]thiophen-2-yl]pyridine-3-carbonitrile;5-[5-[(4S,5S)-2-amino-5-cyclopropyl-1,4-dimethyl-6-oxo-5H-pyrimidin-4-yl]thiophen-2-yl]pyridine-3-carbonitrile;3-[5-(2-amino-4-cyclopropyl-1-methyl-6-oxo-5H-pyrimidin-4-yl)thiophen-2-yl]benzonitrile;(5S,6S)-2-amino-5-[4-(1,1-difluoropropyl)phenyl]-6-(2-fluorophenyl)-3,6-dimethyl-5H-pyrimidin-4-one;(5R,6S)-2-amino-5-[4-(1,1-difluoropropyl)phenyl]-6-(2-fluorophenyl)-3,6-dimethyl-5H-pyrimidin-4-one (CID 159230545) is N-[4-[3-[1-[acetyl(ethyl)amino]ethyl]phenyl]-1-methyl-5-oxo-4-phenylimidazol-2-yl]acetamide;2-amino-3-[(1-benzyl-5-oxopyrrolidin-3-yl)methyl]-5-(3-bromophenyl)-5-methylimidazol-4-one;5-[5-[(4S,5R)-2-amino-5-cyclopropyl-1,4-dimethyl-6-oxo-5H-pyrimidin-4-yl]thiophen-2-yl]pyridine-3-carbonitrile;5-[5-[(4S,5S)-2-amino-5-cyclopropyl-1,4-dimethyl-6-oxo-5H-pyrimidin-4-yl]thiophen-2-yl]pyridine-3-carbonitrile;3-[5-(2-amino-4-cyclopropyl-1-methyl-6-oxo-5H-pyrimidin-4-yl)thiophen-2-yl]benzonitrile;(5S,6S)-2-amino-5-[4-(1,1-difluoropropyl)phenyl]-6-(2-fluorophenyl)-3,6-dimethyl-5H-pyrimidin-4-one;(5R,6S)-2-amino-5-[4-(1,1-difluoropropyl)phenyl]-6-(2-fluorophenyl)-3,6-dimethyl-5H-pyrimidin-4-one.
What is the SMILES notation for N-[4-[3-[1-[acetyl(ethyl)amino]ethyl]phenyl]-1-methyl-5-oxo-4-phenylimidazol-2-yl]acetamide;2-amino-3-[(1-benzyl-5-oxopyrrolidin-3-yl)methyl]-5-(3-bromophenyl)-5-methylimidazol-4-one;5-[5-[(4S,5R)-2-amino-5-cyclopropyl-1,4-dimethyl-6-oxo-5H-pyrimidin-4-yl]thiophen-2-yl]pyridine-3-carbonitrile;5-[5-[(4S,5S)-2-amino-5-cyclopropyl-1,4-dimethyl-6-oxo-5H-pyrimidin-4-yl]thiophen-2-yl]pyridine-3-carbonitrile;3-[5-(2-amino-4-cyclopropyl-1-methyl-6-oxo-5H-pyrimidin-4-yl)thiophen-2-yl]benzonitrile;(5S,6S)-2-amino-5-[4-(1,1-difluoropropyl)phenyl]-6-(2-fluorophenyl)-3,6-dimethyl-5H-pyrimidin-4-one;(5R,6S)-2-amino-5-[4-(1,1-difluoropropyl)phenyl]-6-(2-fluorophenyl)-3,6-dimethyl-5H-pyrimidin-4-one?
The canonical SMILES for N-[4-[3-[1-[acetyl(ethyl)amino]ethyl]phenyl]-1-methyl-5-oxo-4-phenylimidazol-2-yl]acetamide;2-amino-3-[(1-benzyl-5-oxopyrrolidin-3-yl)methyl]-5-(3-bromophenyl)-5-methylimidazol-4-one;5-[5-[(4S,5R)-2-amino-5-cyclopropyl-1,4-dimethyl-6-oxo-5H-pyrimidin-4-yl]thiophen-2-yl]pyridine-3-carbonitrile;5-[5-[(4S,5S)-2-amino-5-cyclopropyl-1,4-dimethyl-6-oxo-5H-pyrimidin-4-yl]thiophen-2-yl]pyridine-3-carbonitrile;3-[5-(2-amino-4-cyclopropyl-1-methyl-6-oxo-5H-pyrimidin-4-yl)thiophen-2-yl]benzonitrile;(5S,6S)-2-amino-5-[4-(1,1-difluoropropyl)phenyl]-6-(2-fluorophenyl)-3,6-dimethyl-5H-pyrimidin-4-one;(5R,6S)-2-amino-5-[4-(1,1-difluoropropyl)phenyl]-6-(2-fluorophenyl)-3,6-dimethyl-5H-pyrimidin-4-one is CC1(c2cccc(Br)c2)N=C(N)N(CC2CC(=O)N(Cc3ccccc3)C2)C1=O.CCC(F)(F)c1ccc([C@@H]2C(=O)N(C)C(N)=N[C@]2(C)c2ccccc2F)cc1.CCC(F)(F)c1ccc([C@H]2C(=O)N(C)C(N)=N[C@]2(C)c2ccccc2F)cc1.CCN(C(C)=O)C(C)c1cccc(C2(c3ccccc3)N=C(NC(C)=O)N(C)C2=O)c1.CN1C(=O)CC(c2ccc(-c3cccc(C#N)c3)s2)(C2CC2)N=C1N.CN1C(=O)[C@@H](C2CC2)[C@@](C)(c2ccc(-c3cncc(C#N)c3)s2)N=C1N.CN1C(=O)[C@H](C2CC2)[C@@](C)(c2ccc(-c3cncc(C#N)c3)s2)N=C1N.
What is the InChIKey of N-[4-[3-[1-[acetyl(ethyl)amino]ethyl]phenyl]-1-methyl-5-oxo-4-phenylimidazol-2-yl]acetamide;2-amino-3-[(1-benzyl-5-oxopyrrolidin-3-yl)methyl]-5-(3-bromophenyl)-5-methylimidazol-4-one;5-[5-[(4S,5R)-2-amino-5-cyclopropyl-1,4-dimethyl-6-oxo-5H-pyrimidin-4-yl]thiophen-2-yl]pyridine-3-carbonitrile;5-[5-[(4S,5S)-2-amino-5-cyclopropyl-1,4-dimethyl-6-oxo-5H-pyrimidin-4-yl]thiophen-2-yl]pyridine-3-carbonitrile;3-[5-(2-amino-4-cyclopropyl-1-methyl-6-oxo-5H-pyrimidin-4-yl)thiophen-2-yl]benzonitrile;(5S,6S)-2-amino-5-[4-(1,1-difluoropropyl)phenyl]-6-(2-fluorophenyl)-3,6-dimethyl-5H-pyrimidin-4-one;(5R,6S)-2-amino-5-[4-(1,1-difluoropropyl)phenyl]-6-(2-fluorophenyl)-3,6-dimethyl-5H-pyrimidin-4-one?
The InChIKey is KSVNRESWMASZHN-JPHBTQEKSA-N. The full InChI is InChI=1S/C24H28N4O3.C22H23BrN4O2.2C21H22F3N3O.2C19H19N5OS.C19H18N4OS/c1-6-28(18(4)30)16(2)19-11-10-14-21(15-19)24(20-12-8-7-9-13-20)22(31)27(5)23(26-24)25-17(3)29;1-22(17-8-5-9-18(23)11-17)20(29)27(21(24)25-22)14-16-10-19(28)26(13-16)12-15-6-3-2-4-7-15;2*1-4-21(23,24)14-11-9-13(10-12-14)17-18(28)27(3)19(25)26-20(17,2)15-7-5-6-8-16(15)22;2*1-19(16(12-3-4-12)17(25)24(2)18(21)23-19)15-6-5-14(26-15)13-7-11(8-20)9-22-10-13;1-23-17(24)10-19(14-5-6-14,22-18(23)21)16-8-7-15(25-16)13-4-2-3-12(9-13)11-20/h7-16H,6H2,1-5H3,(H,25,26,29);2-9,11,16H,10,12-14H2,1H3,(H2,24,25);2*5-12,17H,4H2,1-3H3,(H2,25,26);2*5-7,9-10,12,16H,3-4H2,1-2H3,(H2,21,23);2-4,7-9,14H,5-6,10H2,1H3,(H2,21,22)/t;;17-,20+;17-,20-;16-,19+;16-,19-;/m..0101./s1.
What are the key properties of N-[4-[3-[1-[acetyl(ethyl)amino]ethyl]phenyl]-1-methyl-5-oxo-4-phenylimidazol-2-yl]acetamide;2-amino-3-[(1-benzyl-5-oxopyrrolidin-3-yl)methyl]-5-(3-bromophenyl)-5-methylimidazol-4-one;5-[5-[(4S,5R)-2-amino-5-cyclopropyl-1,4-dimethyl-6-oxo-5H-pyrimidin-4-yl]thiophen-2-yl]pyridine-3-carbonitrile;5-[5-[(4S,5S)-2-amino-5-cyclopropyl-1,4-dimethyl-6-oxo-5H-pyrimidin-4-yl]thiophen-2-yl]pyridine-3-carbonitrile;3-[5-(2-amino-4-cyclopropyl-1-methyl-6-oxo-5H-pyrimidin-4-yl)thiophen-2-yl]benzonitrile;(5S,6S)-2-amino-5-[4-(1,1-difluoropropyl)phenyl]-6-(2-fluorophenyl)-3,6-dimethyl-5H-pyrimidin-4-one;(5R,6S)-2-amino-5-[4-(1,1-difluoropropyl)phenyl]-6-(2-fluorophenyl)-3,6-dimethyl-5H-pyrimidin-4-one?
N-[4-[3-[1-[acetyl(ethyl)amino]ethyl]phenyl]-1-methyl-5-oxo-4-phenylimidazol-2-yl]acetamide;2-amino-3-[(1-benzyl-5-oxopyrrolidin-3-yl)methyl]-5-(3-bromophenyl)-5-methylimidazol-4-one;5-[5-[(4S,5R)-2-amino-5-cyclopropyl-1,4-dimethyl-6-oxo-5H-pyrimidin-4-yl]thiophen-2-yl]pyridine-3-carbonitrile;5-[5-[(4S,5S)-2-amino-5-cyclopropyl-1,4-dimethyl-6-oxo-5H-pyrimidin-4-yl]thiophen-2-yl]pyridine-3-carbonitrile;3-[5-(2-amino-4-cyclopropyl-1-methyl-6-oxo-5H-pyrimidin-4-yl)thiophen-2-yl]benzonitrile;(5S,6S)-2-amino-5-[4-(1,1-difluoropropyl)phenyl]-6-(2-fluorophenyl)-3,6-dimethyl-5H-pyrimidin-4-one;(5R,6S)-2-amino-5-[4-(1,1-difluoropropyl)phenyl]-6-(2-fluorophenyl)-3,6-dimethyl-5H-pyrimidin-4-one has a molecular weight of 2736.08 g/mol, XLogP of 22.41, 27 rotatable bonds, 7 hydrogen bond donors, and 31 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[3-[1-[acetyl(ethyl)amino]ethyl]phenyl]-1-methyl-5-oxo-4-phenylimidazol-2-yl]acetamide;2-amino-3-[(1-benzyl-5-oxopyrrolidin-3-yl)methyl]-5-(3-bromophenyl)-5-methylimidazol-4-one;5-[5-[(4S,5R)-2-amino-5-cyclopropyl-1,4-dimethyl-6-oxo-5H-pyrimidin-4-yl]thiophen-2-yl]pyridine-3-carbonitrile;5-[5-[(4S,5S)-2-amino-5-cyclopropyl-1,4-dimethyl-6-oxo-5H-pyrimidin-4-yl]thiophen-2-yl]pyridine-3-carbonitrile;3-[5-(2-amino-4-cyclopropyl-1-methyl-6-oxo-5H-pyrimidin-4-yl)thiophen-2-yl]benzonitrile;(5S,6S)-2-amino-5-[4-(1,1-difluoropropyl)phenyl]-6-(2-fluorophenyl)-3,6-dimethyl-5H-pyrimidin-4-one;(5R,6S)-2-amino-5-[4-(1,1-difluoropropyl)phenyl]-6-(2-fluorophenyl)-3,6-dimethyl-5H-pyrimidin-4-one is sourced from PubChem (CID 159230545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).