About (5S,6S)-2-amino-6-[2-(cyclobutylmethyl)indazol-6-yl]-5-(4-cyclopropylphenyl)-3,6-dimethyl-5H-pyrimidin-4-one;(5R,6S)-2-amino-6-[2-(cyclobutylmethyl)indazol-6-yl]-5-(4-cyclopropylphenyl)-3,6-dimethyl-5H-pyrimidin-4-one;3-[5-[(4S,5R)-2-amino-5-(1-cyclopropylsulfonylpiperidin-4-yl)-1,4-dimethyl-6-oxo-5H-pyrimidin-4-yl]thiophen-3-yl]benzonitrile;2-amino-3-[[3-(2,6-dimethylmorpholine-4-carbonyl)phenyl]methyl]-5,5-diphenylimidazol-4-one;(6S)-2-amino-3,6-dimethyl-6-[1-(1,3-thiazol-2-ylmethyl)piperidin-3-yl]-5H-pyrimidin-4-one
(5S,6S)-2-amino-6-[2-(cyclobutylmethyl)indazol-6-yl]-5-(4-cyclopropylphenyl)-3,6-dimethyl-5H-pyrimidin-4-one;(5R,6S)-2-amino-6-[2-(cyclobutylmethyl)indazol-6-yl]-5-(4-cyclopropylphenyl)-3,6-dimethyl-5H-pyrimidin-4-one;3-[5-[(4S,5R)-2-amino-5-(1-cyclopropylsulfonylpiperidin-4-yl)-1,4-dimethyl-6-oxo-5H-pyrimidin-4-yl]thiophen-3-yl]benzonitrile;2-amino-3-[[3-(2,6-dimethylmorpholine-4-carbonyl)phenyl]methyl]-5,5-diphenylimidazol-4-one;(6S)-2-amino-3,6-dimethyl-6-[1-(1,3-thiazol-2-ylmethyl)piperidin-3-yl]-5H-pyrimidin-4-one (PubChem CID 158156109) has the molecular formula C123H144N24O9S3
and a molecular weight of 2198.86 g/mol. Its IUPAC name is (5S,6S)-2-amino-6-[2-(cyclobutylmethyl)indazol-6-yl]-5-(4-cyclopropylphenyl)-3,6-dimethyl-5H-pyrimidin-4-one;(5R,6S)-2-amino-6-[2-(cyclobutylmethyl)indazol-6-yl]-5-(4-cyclopropylphenyl)-3,6-dimethyl-5H-pyrimidin-4-one;3-[5-[(4S,5R)-2-amino-5-(1-cyclopropylsulfonylpiperidin-4-yl)-1,4-dimethyl-6-oxo-5H-pyrimidin-4-yl]thiophen-3-yl]benzonitrile;2-amino-3-[[3-(2,6-dimethylmorpholine-4-carbonyl)phenyl]methyl]-5,5-diphenylimidazol-4-one;(6S)-2-amino-3,6-dimethyl-6-[1-(1,3-thiazol-2-ylmethyl)piperidin-3-yl]-5H-pyrimidin-4-one.
Frequently Asked Questions
What is the IUPAC name of (5S,6S)-2-amino-6-[2-(cyclobutylmethyl)indazol-6-yl]-5-(4-cyclopropylphenyl)-3,6-dimethyl-5H-pyrimidin-4-one;(5R,6S)-2-amino-6-[2-(cyclobutylmethyl)indazol-6-yl]-5-(4-cyclopropylphenyl)-3,6-dimethyl-5H-pyrimidin-4-one;3-[5-[(4S,5R)-2-amino-5-(1-cyclopropylsulfonylpiperidin-4-yl)-1,4-dimethyl-6-oxo-5H-pyrimidin-4-yl]thiophen-3-yl]benzonitrile;2-amino-3-[[3-(2,6-dimethylmorpholine-4-carbonyl)phenyl]methyl]-5,5-diphenylimidazol-4-one;(6S)-2-amino-3,6-dimethyl-6-[1-(1,3-thiazol-2-ylmethyl)piperidin-3-yl]-5H-pyrimidin-4-one?
The IUPAC name of (5S,6S)-2-amino-6-[2-(cyclobutylmethyl)indazol-6-yl]-5-(4-cyclopropylphenyl)-3,6-dimethyl-5H-pyrimidin-4-one;(5R,6S)-2-amino-6-[2-(cyclobutylmethyl)indazol-6-yl]-5-(4-cyclopropylphenyl)-3,6-dimethyl-5H-pyrimidin-4-one;3-[5-[(4S,5R)-2-amino-5-(1-cyclopropylsulfonylpiperidin-4-yl)-1,4-dimethyl-6-oxo-5H-pyrimidin-4-yl]thiophen-3-yl]benzonitrile;2-amino-3-[[3-(2,6-dimethylmorpholine-4-carbonyl)phenyl]methyl]-5,5-diphenylimidazol-4-one;(6S)-2-amino-3,6-dimethyl-6-[1-(1,3-thiazol-2-ylmethyl)piperidin-3-yl]-5H-pyrimidin-4-one (CID 158156109) is (5S,6S)-2-amino-6-[2-(cyclobutylmethyl)indazol-6-yl]-5-(4-cyclopropylphenyl)-3,6-dimethyl-5H-pyrimidin-4-one;(5R,6S)-2-amino-6-[2-(cyclobutylmethyl)indazol-6-yl]-5-(4-cyclopropylphenyl)-3,6-dimethyl-5H-pyrimidin-4-one;3-[5-[(4S,5R)-2-amino-5-(1-cyclopropylsulfonylpiperidin-4-yl)-1,4-dimethyl-6-oxo-5H-pyrimidin-4-yl]thiophen-3-yl]benzonitrile;2-amino-3-[[3-(2,6-dimethylmorpholine-4-carbonyl)phenyl]methyl]-5,5-diphenylimidazol-4-one;(6S)-2-amino-3,6-dimethyl-6-[1-(1,3-thiazol-2-ylmethyl)piperidin-3-yl]-5H-pyrimidin-4-one.
What is the SMILES notation for (5S,6S)-2-amino-6-[2-(cyclobutylmethyl)indazol-6-yl]-5-(4-cyclopropylphenyl)-3,6-dimethyl-5H-pyrimidin-4-one;(5R,6S)-2-amino-6-[2-(cyclobutylmethyl)indazol-6-yl]-5-(4-cyclopropylphenyl)-3,6-dimethyl-5H-pyrimidin-4-one;3-[5-[(4S,5R)-2-amino-5-(1-cyclopropylsulfonylpiperidin-4-yl)-1,4-dimethyl-6-oxo-5H-pyrimidin-4-yl]thiophen-3-yl]benzonitrile;2-amino-3-[[3-(2,6-dimethylmorpholine-4-carbonyl)phenyl]methyl]-5,5-diphenylimidazol-4-one;(6S)-2-amino-3,6-dimethyl-6-[1-(1,3-thiazol-2-ylmethyl)piperidin-3-yl]-5H-pyrimidin-4-one?
The canonical SMILES for (5S,6S)-2-amino-6-[2-(cyclobutylmethyl)indazol-6-yl]-5-(4-cyclopropylphenyl)-3,6-dimethyl-5H-pyrimidin-4-one;(5R,6S)-2-amino-6-[2-(cyclobutylmethyl)indazol-6-yl]-5-(4-cyclopropylphenyl)-3,6-dimethyl-5H-pyrimidin-4-one;3-[5-[(4S,5R)-2-amino-5-(1-cyclopropylsulfonylpiperidin-4-yl)-1,4-dimethyl-6-oxo-5H-pyrimidin-4-yl]thiophen-3-yl]benzonitrile;2-amino-3-[[3-(2,6-dimethylmorpholine-4-carbonyl)phenyl]methyl]-5,5-diphenylimidazol-4-one;(6S)-2-amino-3,6-dimethyl-6-[1-(1,3-thiazol-2-ylmethyl)piperidin-3-yl]-5H-pyrimidin-4-one is CC1CN(C(=O)c2cccc(CN3C(=O)C(c4ccccc4)(c4ccccc4)N=C3N)c2)CC(C)O1.CN1C(=O)C[C@@](C)(C2CCCN(Cc3nccs3)C2)N=C1N.CN1C(=O)[C@@H](c2ccc(C3CC3)cc2)[C@@](C)(c2ccc3cn(CC4CCC4)nc3c2)N=C1N.CN1C(=O)[C@H](C2CCN(S(=O)(=O)C3CC3)CC2)[C@@](C)(c2cc(-c3cccc(C#N)c3)cs2)N=C1N.CN1C(=O)[C@H](c2ccc(C3CC3)cc2)[C@@](C)(c2ccc3cn(CC4CCC4)nc3c2)N=C1N.
What is the InChIKey of (5S,6S)-2-amino-6-[2-(cyclobutylmethyl)indazol-6-yl]-5-(4-cyclopropylphenyl)-3,6-dimethyl-5H-pyrimidin-4-one;(5R,6S)-2-amino-6-[2-(cyclobutylmethyl)indazol-6-yl]-5-(4-cyclopropylphenyl)-3,6-dimethyl-5H-pyrimidin-4-one;3-[5-[(4S,5R)-2-amino-5-(1-cyclopropylsulfonylpiperidin-4-yl)-1,4-dimethyl-6-oxo-5H-pyrimidin-4-yl]thiophen-3-yl]benzonitrile;2-amino-3-[[3-(2,6-dimethylmorpholine-4-carbonyl)phenyl]methyl]-5,5-diphenylimidazol-4-one;(6S)-2-amino-3,6-dimethyl-6-[1-(1,3-thiazol-2-ylmethyl)piperidin-3-yl]-5H-pyrimidin-4-one?
The InChIKey is FVRZZSKEGJQIRL-PDULZSNVSA-N. The full InChI is InChI=1S/C29H30N4O3.2C27H31N5O.C25H29N5O3S2.C15H23N5OS/c1-20-17-32(18-21(2)36-20)26(34)23-11-9-10-22(16-23)19-33-27(35)29(31-28(33)30,24-12-5-3-6-13-24)25-14-7-4-8-15-25;2*1-27(22-13-12-21-16-32(30-23(21)14-22)15-17-4-3-5-17)24(25(33)31(2)26(28)29-27)20-10-8-19(9-11-20)18-6-7-18;1-25(21-13-19(15-34-21)18-5-3-4-16(12-18)14-26)22(23(31)29(2)24(27)28-25)17-8-10-30(11-9-17)35(32,33)20-6-7-20;1-15(8-13(21)19(2)14(16)18-15)11-4-3-6-20(9-11)10-12-17-5-7-22-12/h3-16,20-21H,17-19H2,1-2H3,(H2,30,31);2*8-14,16-18,24H,3-7,15H2,1-2H3,(H2,28,29);3-5,12-13,15,17,20,22H,6-11H2,1-2H3,(H2,27,28);5,7,11H,3-4,6,8-10H2,1-2H3,(H2,16,18)/t;24-,27+;24-,27-;22-,25+;11?,15-/m.0100/s1.
What are the key properties of (5S,6S)-2-amino-6-[2-(cyclobutylmethyl)indazol-6-yl]-5-(4-cyclopropylphenyl)-3,6-dimethyl-5H-pyrimidin-4-one;(5R,6S)-2-amino-6-[2-(cyclobutylmethyl)indazol-6-yl]-5-(4-cyclopropylphenyl)-3,6-dimethyl-5H-pyrimidin-4-one;3-[5-[(4S,5R)-2-amino-5-(1-cyclopropylsulfonylpiperidin-4-yl)-1,4-dimethyl-6-oxo-5H-pyrimidin-4-yl]thiophen-3-yl]benzonitrile;2-amino-3-[[3-(2,6-dimethylmorpholine-4-carbonyl)phenyl]methyl]-5,5-diphenylimidazol-4-one;(6S)-2-amino-3,6-dimethyl-6-[1-(1,3-thiazol-2-ylmethyl)piperidin-3-yl]-5H-pyrimidin-4-one?
(5S,6S)-2-amino-6-[2-(cyclobutylmethyl)indazol-6-yl]-5-(4-cyclopropylphenyl)-3,6-dimethyl-5H-pyrimidin-4-one;(5R,6S)-2-amino-6-[2-(cyclobutylmethyl)indazol-6-yl]-5-(4-cyclopropylphenyl)-3,6-dimethyl-5H-pyrimidin-4-one;3-[5-[(4S,5R)-2-amino-5-(1-cyclopropylsulfonylpiperidin-4-yl)-1,4-dimethyl-6-oxo-5H-pyrimidin-4-yl]thiophen-3-yl]benzonitrile;2-amino-3-[[3-(2,6-dimethylmorpholine-4-carbonyl)phenyl]methyl]-5,5-diphenylimidazol-4-one;(6S)-2-amino-3,6-dimethyl-6-[1-(1,3-thiazol-2-ylmethyl)piperidin-3-yl]-5H-pyrimidin-4-one has a molecular weight of 2198.86 g/mol, XLogP of 16.94, 23 rotatable bonds, 5 hydrogen bond donors, and 28 hydrogen bond acceptors.
Where does this data come from?
All data for (5S,6S)-2-amino-6-[2-(cyclobutylmethyl)indazol-6-yl]-5-(4-cyclopropylphenyl)-3,6-dimethyl-5H-pyrimidin-4-one;(5R,6S)-2-amino-6-[2-(cyclobutylmethyl)indazol-6-yl]-5-(4-cyclopropylphenyl)-3,6-dimethyl-5H-pyrimidin-4-one;3-[5-[(4S,5R)-2-amino-5-(1-cyclopropylsulfonylpiperidin-4-yl)-1,4-dimethyl-6-oxo-5H-pyrimidin-4-yl]thiophen-3-yl]benzonitrile;2-amino-3-[[3-(2,6-dimethylmorpholine-4-carbonyl)phenyl]methyl]-5,5-diphenylimidazol-4-one;(6S)-2-amino-3,6-dimethyl-6-[1-(1,3-thiazol-2-ylmethyl)piperidin-3-yl]-5H-pyrimidin-4-one is sourced from PubChem (CID 158156109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).