About (4E)-4-[[5-[[4-(2-cyclobutyl-2-oxoethyl)cyclohexyl]amino]-7-(cyclopropylamino)pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylidenepyrrolidin-2-one;(4E)-4-[[7-(cyclopropylamino)-5-[[4-[2-(2,2-difluorocyclopropyl)-2-oxoethyl]cyclohexyl]amino]pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylidenepyrrolidin-2-one;1-[2-[4-[[7-(cyclopropylamino)-3-[(E)-(2-methylidene-5-oxopyrrolidin-3-ylidene)methyl]pyrazolo[1,5-a]pyrimidin-5-yl]amino]cyclohexyl]acetyl]cyclopropane-1-carbonitrile;(4E)-4-[[7-(cyclopropylamino)-5-[[4-(2-oxo-3-piperidin-1-ylpropyl)cyclohexyl]amino]pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylidenepyrrolidin-2-one;(4E)-4-[[7-(cyclopropylamino)-5-[[4-(2-oxo-4-pyrrolidin-1-ylbutyl)cyclohexyl]amino]pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylidenepyrrolidin-2-one
(4E)-4-[[5-[[4-(2-cyclobutyl-2-oxoethyl)cyclohexyl]amino]-7-(cyclopropylamino)pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylidenepyrrolidin-2-one;(4E)-4-[[7-(cyclopropylamino)-5-[[4-[2-(2,2-difluorocyclopropyl)-2-oxoethyl]cyclohexyl]amino]pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylidenepyrrolidin-2-one;1-[2-[4-[[7-(cyclopropylamino)-3-[(E)-(2-methylidene-5-oxopyrrolidin-3-ylidene)methyl]pyrazolo[1,5-a]pyrimidin-5-yl]amino]cyclohexyl]acetyl]cyclopropane-1-carbonitrile;(4E)-4-[[7-(cyclopropylamino)-5-[[4-(2-oxo-3-piperidin-1-ylpropyl)cyclohexyl]amino]pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylidenepyrrolidin-2-one;(4E)-4-[[7-(cyclopropylamino)-5-[[4-(2-oxo-4-pyrrolidin-1-ylbutyl)cyclohexyl]amino]pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylidenepyrrolidin-2-one (PubChem CID 158651748) has the molecular formula C138H173F2N33O10
and a molecular weight of 2492.12 g/mol. Its IUPAC name is (4E)-4-[[5-[[4-(2-cyclobutyl-2-oxoethyl)cyclohexyl]amino]-7-(cyclopropylamino)pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylidenepyrrolidin-2-one;(4E)-4-[[7-(cyclopropylamino)-5-[[4-[2-(2,2-difluorocyclopropyl)-2-oxoethyl]cyclohexyl]amino]pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylidenepyrrolidin-2-one;1-[2-[4-[[7-(cyclopropylamino)-3-[(E)-(2-methylidene-5-oxopyrrolidin-3-ylidene)methyl]pyrazolo[1,5-a]pyrimidin-5-yl]amino]cyclohexyl]acetyl]cyclopropane-1-carbonitrile;(4E)-4-[[7-(cyclopropylamino)-5-[[4-(2-oxo-3-piperidin-1-ylpropyl)cyclohexyl]amino]pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylidenepyrrolidin-2-one;(4E)-4-[[7-(cyclopropylamino)-5-[[4-(2-oxo-4-pyrrolidin-1-ylbutyl)cyclohexyl]amino]pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylidenepyrrolidin-2-one.
Frequently Asked Questions
What is the IUPAC name of (4E)-4-[[5-[[4-(2-cyclobutyl-2-oxoethyl)cyclohexyl]amino]-7-(cyclopropylamino)pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylidenepyrrolidin-2-one;(4E)-4-[[7-(cyclopropylamino)-5-[[4-[2-(2,2-difluorocyclopropyl)-2-oxoethyl]cyclohexyl]amino]pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylidenepyrrolidin-2-one;1-[2-[4-[[7-(cyclopropylamino)-3-[(E)-(2-methylidene-5-oxopyrrolidin-3-ylidene)methyl]pyrazolo[1,5-a]pyrimidin-5-yl]amino]cyclohexyl]acetyl]cyclopropane-1-carbonitrile;(4E)-4-[[7-(cyclopropylamino)-5-[[4-(2-oxo-3-piperidin-1-ylpropyl)cyclohexyl]amino]pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylidenepyrrolidin-2-one;(4E)-4-[[7-(cyclopropylamino)-5-[[4-(2-oxo-4-pyrrolidin-1-ylbutyl)cyclohexyl]amino]pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylidenepyrrolidin-2-one?
The IUPAC name of (4E)-4-[[5-[[4-(2-cyclobutyl-2-oxoethyl)cyclohexyl]amino]-7-(cyclopropylamino)pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylidenepyrrolidin-2-one;(4E)-4-[[7-(cyclopropylamino)-5-[[4-[2-(2,2-difluorocyclopropyl)-2-oxoethyl]cyclohexyl]amino]pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylidenepyrrolidin-2-one;1-[2-[4-[[7-(cyclopropylamino)-3-[(E)-(2-methylidene-5-oxopyrrolidin-3-ylidene)methyl]pyrazolo[1,5-a]pyrimidin-5-yl]amino]cyclohexyl]acetyl]cyclopropane-1-carbonitrile;(4E)-4-[[7-(cyclopropylamino)-5-[[4-(2-oxo-3-piperidin-1-ylpropyl)cyclohexyl]amino]pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylidenepyrrolidin-2-one;(4E)-4-[[7-(cyclopropylamino)-5-[[4-(2-oxo-4-pyrrolidin-1-ylbutyl)cyclohexyl]amino]pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylidenepyrrolidin-2-one (CID 158651748) is (4E)-4-[[5-[[4-(2-cyclobutyl-2-oxoethyl)cyclohexyl]amino]-7-(cyclopropylamino)pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylidenepyrrolidin-2-one;(4E)-4-[[7-(cyclopropylamino)-5-[[4-[2-(2,2-difluorocyclopropyl)-2-oxoethyl]cyclohexyl]amino]pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylidenepyrrolidin-2-one;1-[2-[4-[[7-(cyclopropylamino)-3-[(E)-(2-methylidene-5-oxopyrrolidin-3-ylidene)methyl]pyrazolo[1,5-a]pyrimidin-5-yl]amino]cyclohexyl]acetyl]cyclopropane-1-carbonitrile;(4E)-4-[[7-(cyclopropylamino)-5-[[4-(2-oxo-3-piperidin-1-ylpropyl)cyclohexyl]amino]pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylidenepyrrolidin-2-one;(4E)-4-[[7-(cyclopropylamino)-5-[[4-(2-oxo-4-pyrrolidin-1-ylbutyl)cyclohexyl]amino]pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylidenepyrrolidin-2-one.
What is the SMILES notation for (4E)-4-[[5-[[4-(2-cyclobutyl-2-oxoethyl)cyclohexyl]amino]-7-(cyclopropylamino)pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylidenepyrrolidin-2-one;(4E)-4-[[7-(cyclopropylamino)-5-[[4-[2-(2,2-difluorocyclopropyl)-2-oxoethyl]cyclohexyl]amino]pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylidenepyrrolidin-2-one;1-[2-[4-[[7-(cyclopropylamino)-3-[(E)-(2-methylidene-5-oxopyrrolidin-3-ylidene)methyl]pyrazolo[1,5-a]pyrimidin-5-yl]amino]cyclohexyl]acetyl]cyclopropane-1-carbonitrile;(4E)-4-[[7-(cyclopropylamino)-5-[[4-(2-oxo-3-piperidin-1-ylpropyl)cyclohexyl]amino]pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylidenepyrrolidin-2-one;(4E)-4-[[7-(cyclopropylamino)-5-[[4-(2-oxo-4-pyrrolidin-1-ylbutyl)cyclohexyl]amino]pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylidenepyrrolidin-2-one?
The canonical SMILES for (4E)-4-[[5-[[4-(2-cyclobutyl-2-oxoethyl)cyclohexyl]amino]-7-(cyclopropylamino)pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylidenepyrrolidin-2-one;(4E)-4-[[7-(cyclopropylamino)-5-[[4-[2-(2,2-difluorocyclopropyl)-2-oxoethyl]cyclohexyl]amino]pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylidenepyrrolidin-2-one;1-[2-[4-[[7-(cyclopropylamino)-3-[(E)-(2-methylidene-5-oxopyrrolidin-3-ylidene)methyl]pyrazolo[1,5-a]pyrimidin-5-yl]amino]cyclohexyl]acetyl]cyclopropane-1-carbonitrile;(4E)-4-[[7-(cyclopropylamino)-5-[[4-(2-oxo-3-piperidin-1-ylpropyl)cyclohexyl]amino]pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylidenepyrrolidin-2-one;(4E)-4-[[7-(cyclopropylamino)-5-[[4-(2-oxo-4-pyrrolidin-1-ylbutyl)cyclohexyl]amino]pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylidenepyrrolidin-2-one is C=C1NC(=O)C/C1=C\c1cnn2c(NC3CC3)cc(NC3CCC(CC(=O)C4(C#N)CC4)CC3)nc12.C=C1NC(=O)C/C1=C\c1cnn2c(NC3CC3)cc(NC3CCC(CC(=O)C4CC4(F)F)CC3)nc12.C=C1NC(=O)C/C1=C\c1cnn2c(NC3CC3)cc(NC3CCC(CC(=O)C4CCC4)CC3)nc12.C=C1NC(=O)C/C1=C\c1cnn2c(NC3CC3)cc(NC3CCC(CC(=O)CCN4CCCC4)CC3)nc12.C=C1NC(=O)C/C1=C\c1cnn2c(NC3CC3)cc(NC3CCC(CC(=O)CN4CCCCC4)CC3)nc12.
What is the InChIKey of (4E)-4-[[5-[[4-(2-cyclobutyl-2-oxoethyl)cyclohexyl]amino]-7-(cyclopropylamino)pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylidenepyrrolidin-2-one;(4E)-4-[[7-(cyclopropylamino)-5-[[4-[2-(2,2-difluorocyclopropyl)-2-oxoethyl]cyclohexyl]amino]pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylidenepyrrolidin-2-one;1-[2-[4-[[7-(cyclopropylamino)-3-[(E)-(2-methylidene-5-oxopyrrolidin-3-ylidene)methyl]pyrazolo[1,5-a]pyrimidin-5-yl]amino]cyclohexyl]acetyl]cyclopropane-1-carbonitrile;(4E)-4-[[7-(cyclopropylamino)-5-[[4-(2-oxo-3-piperidin-1-ylpropyl)cyclohexyl]amino]pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylidenepyrrolidin-2-one;(4E)-4-[[7-(cyclopropylamino)-5-[[4-(2-oxo-4-pyrrolidin-1-ylbutyl)cyclohexyl]amino]pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylidenepyrrolidin-2-one?
The InChIKey is IBQHNDYUEQNKCQ-WDGKMYTOSA-N. The full InChI is InChI=1S/2C29H39N7O2.C27H31N7O2.C27H34N6O2.C26H30F2N6O2/c1-19-21(16-28(38)31-19)15-22-18-30-36-27(33-24-8-9-24)17-26(34-29(22)36)32-23-6-4-20(5-7-23)14-25(37)10-13-35-11-2-3-12-35;1-19-21(15-28(38)31-19)14-22-17-30-36-27(33-24-9-10-24)16-26(34-29(22)36)32-23-7-5-20(6-8-23)13-25(37)18-35-11-3-2-4-12-35;1-16-18(12-25(36)30-16)11-19-14-29-34-24(32-21-6-7-21)13-23(33-26(19)34)31-20-4-2-17(3-5-20)10-22(35)27(15-28)8-9-27;1-16-19(13-26(35)29-16)12-20-15-28-33-25(31-22-9-10-22)14-24(32-27(20)33)30-21-7-5-17(6-8-21)11-23(34)18-3-2-4-18;1-14-16(10-24(36)30-14)9-17-13-29-34-23(32-19-6-7-19)11-22(33-25(17)34)31-18-4-2-15(3-5-18)8-21(35)20-12-26(20,27)28/h15,17-18,20,23-24,33H,1-14,16H2,(H,31,38)(H,32,34);14,16-17,20,23-24,33H,1-13,15,18H2,(H,31,38)(H,32,34);11,13-14,17,20-21,32H,1-10,12H2,(H,30,36)(H,31,33);12,14-15,17-18,21-22,31H,1-11,13H2,(H,29,35)(H,30,32);9,11,13,15,18-20,32H,1-8,10,12H2,(H,30,36)(H,31,33)/b21-15+;21-14+;18-11+;19-12+;16-9+.
What are the key properties of (4E)-4-[[5-[[4-(2-cyclobutyl-2-oxoethyl)cyclohexyl]amino]-7-(cyclopropylamino)pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylidenepyrrolidin-2-one;(4E)-4-[[7-(cyclopropylamino)-5-[[4-[2-(2,2-difluorocyclopropyl)-2-oxoethyl]cyclohexyl]amino]pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylidenepyrrolidin-2-one;1-[2-[4-[[7-(cyclopropylamino)-3-[(E)-(2-methylidene-5-oxopyrrolidin-3-ylidene)methyl]pyrazolo[1,5-a]pyrimidin-5-yl]amino]cyclohexyl]acetyl]cyclopropane-1-carbonitrile;(4E)-4-[[7-(cyclopropylamino)-5-[[4-(2-oxo-3-piperidin-1-ylpropyl)cyclohexyl]amino]pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylidenepyrrolidin-2-one;(4E)-4-[[7-(cyclopropylamino)-5-[[4-(2-oxo-4-pyrrolidin-1-ylbutyl)cyclohexyl]amino]pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylidenepyrrolidin-2-one?
(4E)-4-[[5-[[4-(2-cyclobutyl-2-oxoethyl)cyclohexyl]amino]-7-(cyclopropylamino)pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylidenepyrrolidin-2-one;(4E)-4-[[7-(cyclopropylamino)-5-[[4-[2-(2,2-difluorocyclopropyl)-2-oxoethyl]cyclohexyl]amino]pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylidenepyrrolidin-2-one;1-[2-[4-[[7-(cyclopropylamino)-3-[(E)-(2-methylidene-5-oxopyrrolidin-3-ylidene)methyl]pyrazolo[1,5-a]pyrimidin-5-yl]amino]cyclohexyl]acetyl]cyclopropane-1-carbonitrile;(4E)-4-[[7-(cyclopropylamino)-5-[[4-(2-oxo-3-piperidin-1-ylpropyl)cyclohexyl]amino]pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylidenepyrrolidin-2-one;(4E)-4-[[7-(cyclopropylamino)-5-[[4-(2-oxo-4-pyrrolidin-1-ylbutyl)cyclohexyl]amino]pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylidenepyrrolidin-2-one has a molecular weight of 2492.12 g/mol, XLogP of 20.98, 43 rotatable bonds, 15 hydrogen bond donors, and 38 hydrogen bond acceptors.
Where does this data come from?
All data for (4E)-4-[[5-[[4-(2-cyclobutyl-2-oxoethyl)cyclohexyl]amino]-7-(cyclopropylamino)pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylidenepyrrolidin-2-one;(4E)-4-[[7-(cyclopropylamino)-5-[[4-[2-(2,2-difluorocyclopropyl)-2-oxoethyl]cyclohexyl]amino]pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylidenepyrrolidin-2-one;1-[2-[4-[[7-(cyclopropylamino)-3-[(E)-(2-methylidene-5-oxopyrrolidin-3-ylidene)methyl]pyrazolo[1,5-a]pyrimidin-5-yl]amino]cyclohexyl]acetyl]cyclopropane-1-carbonitrile;(4E)-4-[[7-(cyclopropylamino)-5-[[4-(2-oxo-3-piperidin-1-ylpropyl)cyclohexyl]amino]pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylidenepyrrolidin-2-one;(4E)-4-[[7-(cyclopropylamino)-5-[[4-(2-oxo-4-pyrrolidin-1-ylbutyl)cyclohexyl]amino]pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylidenepyrrolidin-2-one is sourced from PubChem (CID 158651748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).