About (4Z)-4-[[7-(cyclopropylamino)-5-[5-[[3-(dimethylamino)pyrrolidin-1-yl]methyl]thiophen-2-yl]pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylideneimidazolidin-2-one;(4Z)-4-[[7-(cyclopropylamino)-5-[5-[(2-methoxyethylamino)methyl]thiophen-2-yl]pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylideneimidazolidin-2-one;(4Z)-4-[[7-(cyclopropylamino)-5-[5-[(4-methylpiperazin-1-yl)methyl]thiophen-2-yl]pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylideneimidazolidin-2-one;(4Z)-4-[[7-(cyclopropylamino)-5-[5-(pyrrolidin-1-ylmethyl)thiophen-2-yl]pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylideneimidazolidin-2-one;4-[[7-cyclopropylimino-5-[5-[(2,6-dimethylmorpholin-4-yl)methyl]thiophen-2-yl]pyrazolo[1,5-a]pyrimidin-3-ylidene]methyl]-5-hydroxy-1,3-dihydroimidazol-2-one
(4Z)-4-[[7-(cyclopropylamino)-5-[5-[[3-(dimethylamino)pyrrolidin-1-yl]methyl]thiophen-2-yl]pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylideneimidazolidin-2-one;(4Z)-4-[[7-(cyclopropylamino)-5-[5-[(2-methoxyethylamino)methyl]thiophen-2-yl]pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylideneimidazolidin-2-one;(4Z)-4-[[7-(cyclopropylamino)-5-[5-[(4-methylpiperazin-1-yl)methyl]thiophen-2-yl]pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylideneimidazolidin-2-one;(4Z)-4-[[7-(cyclopropylamino)-5-[5-(pyrrolidin-1-ylmethyl)thiophen-2-yl]pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylideneimidazolidin-2-one;4-[[7-cyclopropylimino-5-[5-[(2,6-dimethylmorpholin-4-yl)methyl]thiophen-2-yl]pyrazolo[1,5-a]pyrimidin-3-ylidene]methyl]-5-hydroxy-1,3-dihydroimidazol-2-one (PubChem CID 158077859) has the molecular formula C118H135N37O8S5
and a molecular weight of 2359.96 g/mol. Its IUPAC name is (4Z)-4-[[7-(cyclopropylamino)-5-[5-[[3-(dimethylamino)pyrrolidin-1-yl]methyl]thiophen-2-yl]pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylideneimidazolidin-2-one;(4Z)-4-[[7-(cyclopropylamino)-5-[5-[(2-methoxyethylamino)methyl]thiophen-2-yl]pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylideneimidazolidin-2-one;(4Z)-4-[[7-(cyclopropylamino)-5-[5-[(4-methylpiperazin-1-yl)methyl]thiophen-2-yl]pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylideneimidazolidin-2-one;(4Z)-4-[[7-(cyclopropylamino)-5-[5-(pyrrolidin-1-ylmethyl)thiophen-2-yl]pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylideneimidazolidin-2-one;4-[[7-cyclopropylimino-5-[5-[(2,6-dimethylmorpholin-4-yl)methyl]thiophen-2-yl]pyrazolo[1,5-a]pyrimidin-3-ylidene]methyl]-5-hydroxy-1,3-dihydroimidazol-2-one.
Frequently Asked Questions
What is the IUPAC name of (4Z)-4-[[7-(cyclopropylamino)-5-[5-[[3-(dimethylamino)pyrrolidin-1-yl]methyl]thiophen-2-yl]pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylideneimidazolidin-2-one;(4Z)-4-[[7-(cyclopropylamino)-5-[5-[(2-methoxyethylamino)methyl]thiophen-2-yl]pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylideneimidazolidin-2-one;(4Z)-4-[[7-(cyclopropylamino)-5-[5-[(4-methylpiperazin-1-yl)methyl]thiophen-2-yl]pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylideneimidazolidin-2-one;(4Z)-4-[[7-(cyclopropylamino)-5-[5-(pyrrolidin-1-ylmethyl)thiophen-2-yl]pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylideneimidazolidin-2-one;4-[[7-cyclopropylimino-5-[5-[(2,6-dimethylmorpholin-4-yl)methyl]thiophen-2-yl]pyrazolo[1,5-a]pyrimidin-3-ylidene]methyl]-5-hydroxy-1,3-dihydroimidazol-2-one?
The IUPAC name of (4Z)-4-[[7-(cyclopropylamino)-5-[5-[[3-(dimethylamino)pyrrolidin-1-yl]methyl]thiophen-2-yl]pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylideneimidazolidin-2-one;(4Z)-4-[[7-(cyclopropylamino)-5-[5-[(2-methoxyethylamino)methyl]thiophen-2-yl]pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylideneimidazolidin-2-one;(4Z)-4-[[7-(cyclopropylamino)-5-[5-[(4-methylpiperazin-1-yl)methyl]thiophen-2-yl]pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylideneimidazolidin-2-one;(4Z)-4-[[7-(cyclopropylamino)-5-[5-(pyrrolidin-1-ylmethyl)thiophen-2-yl]pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylideneimidazolidin-2-one;4-[[7-cyclopropylimino-5-[5-[(2,6-dimethylmorpholin-4-yl)methyl]thiophen-2-yl]pyrazolo[1,5-a]pyrimidin-3-ylidene]methyl]-5-hydroxy-1,3-dihydroimidazol-2-one (CID 158077859) is (4Z)-4-[[7-(cyclopropylamino)-5-[5-[[3-(dimethylamino)pyrrolidin-1-yl]methyl]thiophen-2-yl]pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylideneimidazolidin-2-one;(4Z)-4-[[7-(cyclopropylamino)-5-[5-[(2-methoxyethylamino)methyl]thiophen-2-yl]pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylideneimidazolidin-2-one;(4Z)-4-[[7-(cyclopropylamino)-5-[5-[(4-methylpiperazin-1-yl)methyl]thiophen-2-yl]pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylideneimidazolidin-2-one;(4Z)-4-[[7-(cyclopropylamino)-5-[5-(pyrrolidin-1-ylmethyl)thiophen-2-yl]pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylideneimidazolidin-2-one;4-[[7-cyclopropylimino-5-[5-[(2,6-dimethylmorpholin-4-yl)methyl]thiophen-2-yl]pyrazolo[1,5-a]pyrimidin-3-ylidene]methyl]-5-hydroxy-1,3-dihydroimidazol-2-one.
What is the SMILES notation for (4Z)-4-[[7-(cyclopropylamino)-5-[5-[[3-(dimethylamino)pyrrolidin-1-yl]methyl]thiophen-2-yl]pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylideneimidazolidin-2-one;(4Z)-4-[[7-(cyclopropylamino)-5-[5-[(2-methoxyethylamino)methyl]thiophen-2-yl]pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylideneimidazolidin-2-one;(4Z)-4-[[7-(cyclopropylamino)-5-[5-[(4-methylpiperazin-1-yl)methyl]thiophen-2-yl]pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylideneimidazolidin-2-one;(4Z)-4-[[7-(cyclopropylamino)-5-[5-(pyrrolidin-1-ylmethyl)thiophen-2-yl]pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylideneimidazolidin-2-one;4-[[7-cyclopropylimino-5-[5-[(2,6-dimethylmorpholin-4-yl)methyl]thiophen-2-yl]pyrazolo[1,5-a]pyrimidin-3-ylidene]methyl]-5-hydroxy-1,3-dihydroimidazol-2-one?
The canonical SMILES for (4Z)-4-[[7-(cyclopropylamino)-5-[5-[[3-(dimethylamino)pyrrolidin-1-yl]methyl]thiophen-2-yl]pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylideneimidazolidin-2-one;(4Z)-4-[[7-(cyclopropylamino)-5-[5-[(2-methoxyethylamino)methyl]thiophen-2-yl]pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylideneimidazolidin-2-one;(4Z)-4-[[7-(cyclopropylamino)-5-[5-[(4-methylpiperazin-1-yl)methyl]thiophen-2-yl]pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylideneimidazolidin-2-one;(4Z)-4-[[7-(cyclopropylamino)-5-[5-(pyrrolidin-1-ylmethyl)thiophen-2-yl]pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylideneimidazolidin-2-one;4-[[7-cyclopropylimino-5-[5-[(2,6-dimethylmorpholin-4-yl)methyl]thiophen-2-yl]pyrazolo[1,5-a]pyrimidin-3-ylidene]methyl]-5-hydroxy-1,3-dihydroimidazol-2-one is C=c1[nH]c(=O)[nH]/c1=C\c1cnn2c(NC3CC3)cc(-c3ccc(CN4CCC(N(C)C)C4)s3)nc12.C=c1[nH]c(=O)[nH]/c1=C\c1cnn2c(NC3CC3)cc(-c3ccc(CN4CCCC4)s3)nc12.C=c1[nH]c(=O)[nH]/c1=C\c1cnn2c(NC3CC3)cc(-c3ccc(CN4CCN(C)CC4)s3)nc12.C=c1[nH]c(=O)[nH]/c1=C\c1cnn2c(NC3CC3)cc(-c3ccc(CNCCOC)s3)nc12.CC1CN(Cc2ccc(-c3c/c(=N\C4CC4)n4ncc(=Cc5[nH]c(=O)[nH]c5O)c4n3)s2)CC(C)O1.
What is the InChIKey of (4Z)-4-[[7-(cyclopropylamino)-5-[5-[[3-(dimethylamino)pyrrolidin-1-yl]methyl]thiophen-2-yl]pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylideneimidazolidin-2-one;(4Z)-4-[[7-(cyclopropylamino)-5-[5-[(2-methoxyethylamino)methyl]thiophen-2-yl]pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylideneimidazolidin-2-one;(4Z)-4-[[7-(cyclopropylamino)-5-[5-[(4-methylpiperazin-1-yl)methyl]thiophen-2-yl]pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylideneimidazolidin-2-one;(4Z)-4-[[7-(cyclopropylamino)-5-[5-(pyrrolidin-1-ylmethyl)thiophen-2-yl]pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylideneimidazolidin-2-one;4-[[7-cyclopropylimino-5-[5-[(2,6-dimethylmorpholin-4-yl)methyl]thiophen-2-yl]pyrazolo[1,5-a]pyrimidin-3-ylidene]methyl]-5-hydroxy-1,3-dihydroimidazol-2-one?
The InChIKey is FTBPFXRMGRYLLM-NOFNFNTESA-N. The full InChI is InChI=1S/C25H30N8OS.C24H28N8OS.C24H27N7O3S.C23H25N7OS.C22H25N7O2S/c1-15-20(30-25(34)27-15)10-16-12-26-33-23(28-17-4-5-17)11-21(29-24(16)33)22-7-6-19(35-22)14-32-9-8-18(13-32)31(2)3;1-15-19(29-24(33)26-15)11-16-13-25-32-22(27-17-3-4-17)12-20(28-23(16)32)21-6-5-18(34-21)14-31-9-7-30(2)8-10-31;1-13-10-30(11-14(2)34-13)12-17-5-6-20(35-17)18-8-21(26-16-3-4-16)31-22(27-18)15(9-25-31)7-19-23(32)29-24(33)28-19;1-14-18(28-23(31)25-14)10-15-12-24-30-21(26-16-4-5-16)11-19(27-22(15)30)20-7-6-17(32-20)13-29-8-2-3-9-29;1-13-17(28-22(30)25-13)9-14-11-24-29-20(26-15-3-4-15)10-18(27-21(14)29)19-6-5-16(32-19)12-23-7-8-31-2/h6-7,10-12,17-18,28H,1,4-5,8-9,13-14H2,2-3H3,(H2,27,30,34);5-6,11-13,17,27H,1,3-4,7-10,14H2,2H3,(H2,26,29,33);5-9,13-14,16,32H,3-4,10-12H2,1-2H3,(H2,28,29,33);6-7,10-12,16,26H,1-5,8-9,13H2,(H2,25,28,31);5-6,9-11,15,23,26H,1,3-4,7-8,12H2,2H3,(H2,25,28,30)/b20-10-;19-11-;15-7?,26-21+;18-10-;17-9-.
What are the key properties of (4Z)-4-[[7-(cyclopropylamino)-5-[5-[[3-(dimethylamino)pyrrolidin-1-yl]methyl]thiophen-2-yl]pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylideneimidazolidin-2-one;(4Z)-4-[[7-(cyclopropylamino)-5-[5-[(2-methoxyethylamino)methyl]thiophen-2-yl]pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylideneimidazolidin-2-one;(4Z)-4-[[7-(cyclopropylamino)-5-[5-[(4-methylpiperazin-1-yl)methyl]thiophen-2-yl]pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylideneimidazolidin-2-one;(4Z)-4-[[7-(cyclopropylamino)-5-[5-(pyrrolidin-1-ylmethyl)thiophen-2-yl]pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylideneimidazolidin-2-one;4-[[7-cyclopropylimino-5-[5-[(2,6-dimethylmorpholin-4-yl)methyl]thiophen-2-yl]pyrazolo[1,5-a]pyrimidin-3-ylidene]methyl]-5-hydroxy-1,3-dihydroimidazol-2-one?
(4Z)-4-[[7-(cyclopropylamino)-5-[5-[[3-(dimethylamino)pyrrolidin-1-yl]methyl]thiophen-2-yl]pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylideneimidazolidin-2-one;(4Z)-4-[[7-(cyclopropylamino)-5-[5-[(2-methoxyethylamino)methyl]thiophen-2-yl]pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylideneimidazolidin-2-one;(4Z)-4-[[7-(cyclopropylamino)-5-[5-[(4-methylpiperazin-1-yl)methyl]thiophen-2-yl]pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylideneimidazolidin-2-one;(4Z)-4-[[7-(cyclopropylamino)-5-[5-(pyrrolidin-1-ylmethyl)thiophen-2-yl]pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylideneimidazolidin-2-one;4-[[7-cyclopropylimino-5-[5-[(2,6-dimethylmorpholin-4-yl)methyl]thiophen-2-yl]pyrazolo[1,5-a]pyrimidin-3-ylidene]methyl]-5-hydroxy-1,3-dihydroimidazol-2-one has a molecular weight of 2359.96 g/mol, XLogP of 6.77, 33 rotatable bonds, 16 hydrogen bond donors, and 40 hydrogen bond acceptors.
Where does this data come from?
All data for (4Z)-4-[[7-(cyclopropylamino)-5-[5-[[3-(dimethylamino)pyrrolidin-1-yl]methyl]thiophen-2-yl]pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylideneimidazolidin-2-one;(4Z)-4-[[7-(cyclopropylamino)-5-[5-[(2-methoxyethylamino)methyl]thiophen-2-yl]pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylideneimidazolidin-2-one;(4Z)-4-[[7-(cyclopropylamino)-5-[5-[(4-methylpiperazin-1-yl)methyl]thiophen-2-yl]pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylideneimidazolidin-2-one;(4Z)-4-[[7-(cyclopropylamino)-5-[5-(pyrrolidin-1-ylmethyl)thiophen-2-yl]pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylideneimidazolidin-2-one;4-[[7-cyclopropylimino-5-[5-[(2,6-dimethylmorpholin-4-yl)methyl]thiophen-2-yl]pyrazolo[1,5-a]pyrimidin-3-ylidene]methyl]-5-hydroxy-1,3-dihydroimidazol-2-one is sourced from PubChem (CID 158077859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).