About 5-[[(1R)-1-(3-chlorophenyl)ethyl]amino]-7-(cyclopropylamino)-3-[(E)-(2-methylidene-5-oxopyrrolidin-3-ylidene)methyl]pyrazolo[1,5-a]pyrimidine-6-carbonitrile;5-[[(1S)-1-(3-chlorophenyl)ethyl]amino]-7-(cyclopropylamino)-3-[(E)-(2-methylidene-5-oxopyrrolidin-3-ylidene)methyl]pyrazolo[1,5-a]pyrimidine-6-carbonitrile;5-[4-(3-cyano-2-pyridinyl)piperazin-1-yl]-7-(cyclopropylamino)-3-[(E)-(2-methylidene-5-oxopyrrolidin-3-ylidene)methyl]pyrazolo[1,5-a]pyrimidine-6-carbonitrile;7-(cyclopropylamino)-3-[(E)-(2-methylidene-5-oxopyrrolidin-3-ylidene)methyl]-5-(4-pyridin-2-ylpiperazin-1-yl)pyrazolo[1,5-a]pyrimidine-6-carbonitrile;(3E)-3-[[7-(cyclopropylamino)-6-methyl-5-(4-pyrazol-1-ylanilino)pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylidenepyrrolidin-2-one
5-[[(1R)-1-(3-chlorophenyl)ethyl]amino]-7-(cyclopropylamino)-3-[(E)-(2-methylidene-5-oxopyrrolidin-3-ylidene)methyl]pyrazolo[1,5-a]pyrimidine-6-carbonitrile;5-[[(1S)-1-(3-chlorophenyl)ethyl]amino]-7-(cyclopropylamino)-3-[(E)-(2-methylidene-5-oxopyrrolidin-3-ylidene)methyl]pyrazolo[1,5-a]pyrimidine-6-carbonitrile;5-[4-(3-cyano-2-pyridinyl)piperazin-1-yl]-7-(cyclopropylamino)-3-[(E)-(2-methylidene-5-oxopyrrolidin-3-ylidene)methyl]pyrazolo[1,5-a]pyrimidine-6-carbonitrile;7-(cyclopropylamino)-3-[(E)-(2-methylidene-5-oxopyrrolidin-3-ylidene)methyl]-5-(4-pyridin-2-ylpiperazin-1-yl)pyrazolo[1,5-a]pyrimidine-6-carbonitrile;(3E)-3-[[7-(cyclopropylamino)-6-methyl-5-(4-pyrazol-1-ylanilino)pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylidenepyrrolidin-2-one (PubChem CID 157473208) has the molecular formula C124H117Cl2N41O5
and a molecular weight of 2332.49 g/mol. Its IUPAC name is 5-[[(1R)-1-(3-chlorophenyl)ethyl]amino]-7-(cyclopropylamino)-3-[(E)-(2-methylidene-5-oxopyrrolidin-3-ylidene)methyl]pyrazolo[1,5-a]pyrimidine-6-carbonitrile;5-[[(1S)-1-(3-chlorophenyl)ethyl]amino]-7-(cyclopropylamino)-3-[(E)-(2-methylidene-5-oxopyrrolidin-3-ylidene)methyl]pyrazolo[1,5-a]pyrimidine-6-carbonitrile;5-[4-(3-cyano-2-pyridinyl)piperazin-1-yl]-7-(cyclopropylamino)-3-[(E)-(2-methylidene-5-oxopyrrolidin-3-ylidene)methyl]pyrazolo[1,5-a]pyrimidine-6-carbonitrile;7-(cyclopropylamino)-3-[(E)-(2-methylidene-5-oxopyrrolidin-3-ylidene)methyl]-5-(4-pyridin-2-ylpiperazin-1-yl)pyrazolo[1,5-a]pyrimidine-6-carbonitrile;(3E)-3-[[7-(cyclopropylamino)-6-methyl-5-(4-pyrazol-1-ylanilino)pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylidenepyrrolidin-2-one.
Frequently Asked Questions
What is the IUPAC name of 5-[[(1R)-1-(3-chlorophenyl)ethyl]amino]-7-(cyclopropylamino)-3-[(E)-(2-methylidene-5-oxopyrrolidin-3-ylidene)methyl]pyrazolo[1,5-a]pyrimidine-6-carbonitrile;5-[[(1S)-1-(3-chlorophenyl)ethyl]amino]-7-(cyclopropylamino)-3-[(E)-(2-methylidene-5-oxopyrrolidin-3-ylidene)methyl]pyrazolo[1,5-a]pyrimidine-6-carbonitrile;5-[4-(3-cyano-2-pyridinyl)piperazin-1-yl]-7-(cyclopropylamino)-3-[(E)-(2-methylidene-5-oxopyrrolidin-3-ylidene)methyl]pyrazolo[1,5-a]pyrimidine-6-carbonitrile;7-(cyclopropylamino)-3-[(E)-(2-methylidene-5-oxopyrrolidin-3-ylidene)methyl]-5-(4-pyridin-2-ylpiperazin-1-yl)pyrazolo[1,5-a]pyrimidine-6-carbonitrile;(3E)-3-[[7-(cyclopropylamino)-6-methyl-5-(4-pyrazol-1-ylanilino)pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylidenepyrrolidin-2-one?
The IUPAC name of 5-[[(1R)-1-(3-chlorophenyl)ethyl]amino]-7-(cyclopropylamino)-3-[(E)-(2-methylidene-5-oxopyrrolidin-3-ylidene)methyl]pyrazolo[1,5-a]pyrimidine-6-carbonitrile;5-[[(1S)-1-(3-chlorophenyl)ethyl]amino]-7-(cyclopropylamino)-3-[(E)-(2-methylidene-5-oxopyrrolidin-3-ylidene)methyl]pyrazolo[1,5-a]pyrimidine-6-carbonitrile;5-[4-(3-cyano-2-pyridinyl)piperazin-1-yl]-7-(cyclopropylamino)-3-[(E)-(2-methylidene-5-oxopyrrolidin-3-ylidene)methyl]pyrazolo[1,5-a]pyrimidine-6-carbonitrile;7-(cyclopropylamino)-3-[(E)-(2-methylidene-5-oxopyrrolidin-3-ylidene)methyl]-5-(4-pyridin-2-ylpiperazin-1-yl)pyrazolo[1,5-a]pyrimidine-6-carbonitrile;(3E)-3-[[7-(cyclopropylamino)-6-methyl-5-(4-pyrazol-1-ylanilino)pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylidenepyrrolidin-2-one (CID 157473208) is 5-[[(1R)-1-(3-chlorophenyl)ethyl]amino]-7-(cyclopropylamino)-3-[(E)-(2-methylidene-5-oxopyrrolidin-3-ylidene)methyl]pyrazolo[1,5-a]pyrimidine-6-carbonitrile;5-[[(1S)-1-(3-chlorophenyl)ethyl]amino]-7-(cyclopropylamino)-3-[(E)-(2-methylidene-5-oxopyrrolidin-3-ylidene)methyl]pyrazolo[1,5-a]pyrimidine-6-carbonitrile;5-[4-(3-cyano-2-pyridinyl)piperazin-1-yl]-7-(cyclopropylamino)-3-[(E)-(2-methylidene-5-oxopyrrolidin-3-ylidene)methyl]pyrazolo[1,5-a]pyrimidine-6-carbonitrile;7-(cyclopropylamino)-3-[(E)-(2-methylidene-5-oxopyrrolidin-3-ylidene)methyl]-5-(4-pyridin-2-ylpiperazin-1-yl)pyrazolo[1,5-a]pyrimidine-6-carbonitrile;(3E)-3-[[7-(cyclopropylamino)-6-methyl-5-(4-pyrazol-1-ylanilino)pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylidenepyrrolidin-2-one.
What is the SMILES notation for 5-[[(1R)-1-(3-chlorophenyl)ethyl]amino]-7-(cyclopropylamino)-3-[(E)-(2-methylidene-5-oxopyrrolidin-3-ylidene)methyl]pyrazolo[1,5-a]pyrimidine-6-carbonitrile;5-[[(1S)-1-(3-chlorophenyl)ethyl]amino]-7-(cyclopropylamino)-3-[(E)-(2-methylidene-5-oxopyrrolidin-3-ylidene)methyl]pyrazolo[1,5-a]pyrimidine-6-carbonitrile;5-[4-(3-cyano-2-pyridinyl)piperazin-1-yl]-7-(cyclopropylamino)-3-[(E)-(2-methylidene-5-oxopyrrolidin-3-ylidene)methyl]pyrazolo[1,5-a]pyrimidine-6-carbonitrile;7-(cyclopropylamino)-3-[(E)-(2-methylidene-5-oxopyrrolidin-3-ylidene)methyl]-5-(4-pyridin-2-ylpiperazin-1-yl)pyrazolo[1,5-a]pyrimidine-6-carbonitrile;(3E)-3-[[7-(cyclopropylamino)-6-methyl-5-(4-pyrazol-1-ylanilino)pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylidenepyrrolidin-2-one?
The canonical SMILES for 5-[[(1R)-1-(3-chlorophenyl)ethyl]amino]-7-(cyclopropylamino)-3-[(E)-(2-methylidene-5-oxopyrrolidin-3-ylidene)methyl]pyrazolo[1,5-a]pyrimidine-6-carbonitrile;5-[[(1S)-1-(3-chlorophenyl)ethyl]amino]-7-(cyclopropylamino)-3-[(E)-(2-methylidene-5-oxopyrrolidin-3-ylidene)methyl]pyrazolo[1,5-a]pyrimidine-6-carbonitrile;5-[4-(3-cyano-2-pyridinyl)piperazin-1-yl]-7-(cyclopropylamino)-3-[(E)-(2-methylidene-5-oxopyrrolidin-3-ylidene)methyl]pyrazolo[1,5-a]pyrimidine-6-carbonitrile;7-(cyclopropylamino)-3-[(E)-(2-methylidene-5-oxopyrrolidin-3-ylidene)methyl]-5-(4-pyridin-2-ylpiperazin-1-yl)pyrazolo[1,5-a]pyrimidine-6-carbonitrile;(3E)-3-[[7-(cyclopropylamino)-6-methyl-5-(4-pyrazol-1-ylanilino)pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylidenepyrrolidin-2-one is C=C1C/C(=C\c2cnn3c(NC4CC4)c(C)c(Nc4ccc(-n5cccn5)cc4)nc23)C(=O)N1.C=C1NC(=O)C/C1=C\c1cnn2c(NC3CC3)c(C#N)c(N3CCN(c4ccccn4)CC3)nc12.C=C1NC(=O)C/C1=C\c1cnn2c(NC3CC3)c(C#N)c(N3CCN(c4ncccc4C#N)CC3)nc12.C=C1NC(=O)C/C1=C\c1cnn2c(NC3CC3)c(C#N)c(N[C@@H](C)c3cccc(Cl)c3)nc12.C=C1NC(=O)C/C1=C\c1cnn2c(NC3CC3)c(C#N)c(N[C@H](C)c3cccc(Cl)c3)nc12.
What is the InChIKey of 5-[[(1R)-1-(3-chlorophenyl)ethyl]amino]-7-(cyclopropylamino)-3-[(E)-(2-methylidene-5-oxopyrrolidin-3-ylidene)methyl]pyrazolo[1,5-a]pyrimidine-6-carbonitrile;5-[[(1S)-1-(3-chlorophenyl)ethyl]amino]-7-(cyclopropylamino)-3-[(E)-(2-methylidene-5-oxopyrrolidin-3-ylidene)methyl]pyrazolo[1,5-a]pyrimidine-6-carbonitrile;5-[4-(3-cyano-2-pyridinyl)piperazin-1-yl]-7-(cyclopropylamino)-3-[(E)-(2-methylidene-5-oxopyrrolidin-3-ylidene)methyl]pyrazolo[1,5-a]pyrimidine-6-carbonitrile;7-(cyclopropylamino)-3-[(E)-(2-methylidene-5-oxopyrrolidin-3-ylidene)methyl]-5-(4-pyridin-2-ylpiperazin-1-yl)pyrazolo[1,5-a]pyrimidine-6-carbonitrile;(3E)-3-[[7-(cyclopropylamino)-6-methyl-5-(4-pyrazol-1-ylanilino)pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylidenepyrrolidin-2-one?
The InChIKey is BVHACVQIJQDPQM-GBHBHUIPSA-N. The full InChI is InChI=1S/C26H24N10O.C25H25N9O.C25H24N8O.2C24H22ClN7O/c1-16-18(12-22(37)31-16)11-19-15-30-36-24(19)33-25(21(14-28)26(36)32-20-4-5-20)35-9-7-34(8-10-35)23-17(13-27)3-2-6-29-23;1-16-17(13-22(35)29-16)12-18-15-28-34-23(18)31-24(20(14-26)25(34)30-19-5-6-19)33-10-8-32(9-11-33)21-4-2-3-7-27-21;1-15-12-17(25(34)28-15)13-18-14-27-33-23(30-20-4-5-20)16(2)22(31-24(18)33)29-19-6-8-21(9-7-19)32-11-3-10-26-32;2*1-13(15-4-3-5-18(25)9-15)29-22-20(11-26)24(30-19-6-7-19)32-23(31-22)17(12-27-32)8-16-10-21(33)28-14(16)2/h2-3,6,11,15,20,32H,1,4-5,7-10,12H2,(H,31,37);2-4,7,12,15,19,30H,1,5-6,8-11,13H2,(H,29,35);3,6-11,13-14,20,30H,1,4-5,12H2,2H3,(H,28,34)(H,29,31);2*3-5,8-9,12-13,19,30H,2,6-7,10H2,1H3,(H,28,33)(H,29,31)/b18-11+;17-12+;17-13+;2*16-8+/t;;;2*13-/m...10/s1.
What are the key properties of 5-[[(1R)-1-(3-chlorophenyl)ethyl]amino]-7-(cyclopropylamino)-3-[(E)-(2-methylidene-5-oxopyrrolidin-3-ylidene)methyl]pyrazolo[1,5-a]pyrimidine-6-carbonitrile;5-[[(1S)-1-(3-chlorophenyl)ethyl]amino]-7-(cyclopropylamino)-3-[(E)-(2-methylidene-5-oxopyrrolidin-3-ylidene)methyl]pyrazolo[1,5-a]pyrimidine-6-carbonitrile;5-[4-(3-cyano-2-pyridinyl)piperazin-1-yl]-7-(cyclopropylamino)-3-[(E)-(2-methylidene-5-oxopyrrolidin-3-ylidene)methyl]pyrazolo[1,5-a]pyrimidine-6-carbonitrile;7-(cyclopropylamino)-3-[(E)-(2-methylidene-5-oxopyrrolidin-3-ylidene)methyl]-5-(4-pyridin-2-ylpiperazin-1-yl)pyrazolo[1,5-a]pyrimidine-6-carbonitrile;(3E)-3-[[7-(cyclopropylamino)-6-methyl-5-(4-pyrazol-1-ylanilino)pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylidenepyrrolidin-2-one?
5-[[(1R)-1-(3-chlorophenyl)ethyl]amino]-7-(cyclopropylamino)-3-[(E)-(2-methylidene-5-oxopyrrolidin-3-ylidene)methyl]pyrazolo[1,5-a]pyrimidine-6-carbonitrile;5-[[(1S)-1-(3-chlorophenyl)ethyl]amino]-7-(cyclopropylamino)-3-[(E)-(2-methylidene-5-oxopyrrolidin-3-ylidene)methyl]pyrazolo[1,5-a]pyrimidine-6-carbonitrile;5-[4-(3-cyano-2-pyridinyl)piperazin-1-yl]-7-(cyclopropylamino)-3-[(E)-(2-methylidene-5-oxopyrrolidin-3-ylidene)methyl]pyrazolo[1,5-a]pyrimidine-6-carbonitrile;7-(cyclopropylamino)-3-[(E)-(2-methylidene-5-oxopyrrolidin-3-ylidene)methyl]-5-(4-pyridin-2-ylpiperazin-1-yl)pyrazolo[1,5-a]pyrimidine-6-carbonitrile;(3E)-3-[[7-(cyclopropylamino)-6-methyl-5-(4-pyrazol-1-ylanilino)pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylidenepyrrolidin-2-one has a molecular weight of 2332.49 g/mol, XLogP of 17.30, 28 rotatable bonds, 13 hydrogen bond donors, and 41 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[(1R)-1-(3-chlorophenyl)ethyl]amino]-7-(cyclopropylamino)-3-[(E)-(2-methylidene-5-oxopyrrolidin-3-ylidene)methyl]pyrazolo[1,5-a]pyrimidine-6-carbonitrile;5-[[(1S)-1-(3-chlorophenyl)ethyl]amino]-7-(cyclopropylamino)-3-[(E)-(2-methylidene-5-oxopyrrolidin-3-ylidene)methyl]pyrazolo[1,5-a]pyrimidine-6-carbonitrile;5-[4-(3-cyano-2-pyridinyl)piperazin-1-yl]-7-(cyclopropylamino)-3-[(E)-(2-methylidene-5-oxopyrrolidin-3-ylidene)methyl]pyrazolo[1,5-a]pyrimidine-6-carbonitrile;7-(cyclopropylamino)-3-[(E)-(2-methylidene-5-oxopyrrolidin-3-ylidene)methyl]-5-(4-pyridin-2-ylpiperazin-1-yl)pyrazolo[1,5-a]pyrimidine-6-carbonitrile;(3E)-3-[[7-(cyclopropylamino)-6-methyl-5-(4-pyrazol-1-ylanilino)pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylidenepyrrolidin-2-one is sourced from PubChem (CID 157473208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).