(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;(4E)-4-[[7-(cyclopropylamino)-5-[[4-(3-morpholin-4-yl-2-oxopropyl)cyclohexyl]amino]pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylidenepyrrolidin-2-one;(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-3-pyrrolidin-1-ylbutyl)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

C141H184F2N34O11 — CID 157404158

IUPAC(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;(4E)-4-[[7-(cyclopropylamino)-5-[[4-(3-morpholin-4-yl-2-oxopropyl)cyclohexyl]amino]pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylidenepyrrolidin-2-one;(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-3-pyrrolidin-1-ylbutyl)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
SMILESC=C1NC(=O)C/C1=C\c1cnn2c(NC3CC3)cc(NC3CCC(CC(=O)C(C)N4CCCC4)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)CCN4CCCC4)CC3)nc12.C=C1NC(=O)C/C1=C\c1cnn2c(NC3CC3)cc(NC3CCC(CC(=O)CN4CCCCC4)CC3)nc12.C=C1NC(=O)C/C1=C\c1cnn2c(NC3CC3)cc(NC3CCC(CC(=O)CN4CCOCC4)CC3)nc12
InChIInChI=1S/3C29H39N7O2.C28H37N7O3.C26H30F2N6O2/c1-18-21(15-28(38)31-18)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)19(2)35-11-3-4-12-35;1-19-21(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;1-18-20(14-27(37)30-18)13-21-16-29-35-26(32-23-6-7-23)15-25(33-28(21)35)31-22-4-2-19(3-5-22)12-24(36)17-34-8-10-38-11-9-34;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/h14,16-17,19-20,23-24,33H,1,3-13,15H2,2H3,(H,31,38)(H,32,34);15,17-18,20,23-24,33H,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);13,15-16,19,22-23,32H,1-12,14,17H2,(H,30,37)(H,31,33);9,11,13,15,18-20,32H,1-8,10,12H2,(H,30,36)(H,31,33)/b21-14+;21-15+;21-14+;20-13+;16-9+
InChIKeyBNNGXWKBEWKXOO-UZNILQILSA-N
MW2569.25 g/mol
LogP19.70
Rot. Bonds45

About (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;(4E)-4-[[7-(cyclopropylamino)-5-[[4-(3-morpholin-4-yl-2-oxopropyl)cyclohexyl]amino]pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylidenepyrrolidin-2-one;(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-3-pyrrolidin-1-ylbutyl)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-[[7-(cyclopropylamino)-5-[[4-[2-(2,2-difluorocyclopropyl)-2-oxoethyl]cyclohexyl]amino]pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylidenepyrrolidin-2-one;(4E)-4-[[7-(cyclopropylamino)-5-[[4-(3-morpholin-4-yl-2-oxopropyl)cyclohexyl]amino]pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylidenepyrrolidin-2-one;(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-3-pyrrolidin-1-ylbutyl)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 157404158) has the molecular formula C141H184F2N34O11 and a molecular weight of 2569.25 g/mol. Its IUPAC name is (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;(4E)-4-[[7-(cyclopropylamino)-5-[[4-(3-morpholin-4-yl-2-oxopropyl)cyclohexyl]amino]pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylidenepyrrolidin-2-one;(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-3-pyrrolidin-1-ylbutyl)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.

Molecular Properties

Compound Name(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;(4E)-4-[[7-(cyclopropylamino)-5-[[4-(3-morpholin-4-yl-2-oxopropyl)cyclohexyl]amino]pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylidenepyrrolidin-2-one;(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-3-pyrrolidin-1-ylbutyl)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 CID157404158
Molecular FormulaC141H184F2N34O11
Molecular Weight2569.25 g/mol
Exact Mass2567.49
IUPAC Name(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;(4E)-4-[[7-(cyclopropylamino)-5-[[4-(3-morpholin-4-yl-2-oxopropyl)cyclohexyl]amino]pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylidenepyrrolidin-2-one;(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-3-pyrrolidin-1-ylbutyl)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
SMILESC=C1NC(=O)C/C1=C\c1cnn2c(NC3CC3)cc(NC3CCC(CC(=O)C(C)N4CCCC4)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)CCN4CCCC4)CC3)nc12.C=C1NC(=O)C/C1=C\c1cnn2c(NC3CC3)cc(NC3CCC(CC(=O)CN4CCCCC4)CC3)nc12.C=C1NC(=O)C/C1=C\c1cnn2c(NC3CC3)cc(NC3CCC(CC(=O)CN4CCOCC4)CC3)nc12
InChIInChI=1S/3C29H39N7O2.C28H37N7O3.C26H30F2N6O2/c1-18-21(15-28(38)31-18)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)19(2)35-11-3-4-12-35;1-19-21(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;1-18-20(14-27(37)30-18)13-21-16-29-35-26(32-23-6-7-23)15-25(33-28(21)35)31-22-4-2-19(3-5-22)12-24(36)17-34-8-10-38-11-9-34;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/h14,16-17,19-20,23-24,33H,1,3-13,15H2,2H3,(H,31,38)(H,32,34);15,17-18,20,23-24,33H,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);13,15-16,19,22-23,32H,1-12,14,17H2,(H,30,37)(H,31,33);9,11,13,15,18-20,32H,1-8,10,12H2,(H,30,36)(H,31,33)/b21-14+;21-15+;21-14+;20-13+;16-9+
InChIKeyBNNGXWKBEWKXOO-UZNILQILSA-N
XLogP19.70
TPSA524.29 Ų
H-Bond Donors15
H-Bond Acceptors40
Rotatable Bonds45
Heavy Atoms188
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002569.25
LogP ≤ 519.70
H-Bond Donors ≤ 515
H-Bond Acceptors ≤ 1040

Analyze (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;(4E)-4-[[7-(cyclopropylamino)-5-[[4-(3-morpholin-4-yl-2-oxopropyl)cyclohexyl]amino]pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylidenepyrrolidin-2-one;(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-3-pyrrolidin-1-ylbutyl)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 with MolForge

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Related Compounds

(3E)-3-[[7-(cyclopropylamino)-5-(oxan-4-ylamino)pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylidenepyrrolidin-2-one;(3E)-3-[[7-(cyclopropylamino)-5-[[(1S)-1-phenylethyl]amino]pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylidenepyrrolidin-2-one;(3E)-3-[[7-(cyclopropylamino)-5-(1-phenylethylamino)pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylidenepyrrolidin-2-one;(3E)-3-[[7-(cyclopropylmethylamino)-5-(4,4-difluoropiperidin-1-yl)pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylidenepyrrolidin-2-one;(3E)-3-[[7-(cyclopropylmethylamino)-5-[(3R)-3-fluoropyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylidenepyrrolidin-2-one
CID 158232646
(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
(4E)-4-[[5-[[4-(butylsulfonylmethyl)cyclohexyl]amino]-7-(cyclopropylamino)pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylidenepyrrolidin-2-one;(4E)-4-[[7-(cyclopropylamino)-5-[[4-(4,5-dimethyl-2-oxohexyl)cyclohexyl]amino]pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylidenepyrrolidin-2-one;(4E)-4-[[7-(cyclopropylamino)-5-[[4-(propylsulfonylmethyl)cyclohexyl]amino]pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylidenepyrrolidin-2-one;(4E)-4-[[7-(cyclopropylamino)-5-[[4-(3,3,3-trifluoropropylsulfonylmethyl)cyclohexyl]amino]pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylidenepyrrolidin-2-one;2-methoxyethyl N-[4-[[7-(cyclopropylamino)-3-[(E)-(2-methylidene-5-oxopyrrolidin-3-ylidene)methyl]pyrazolo[1,5-a]pyrimidin-5-yl]amino]cyclohexyl]carbamate
CID 159114675
(4E)-4-[[5-[4-(cyclobutanecarbonyl)piperazin-1-yl]-7-(cyclopropylamino)pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylidenepyrrolidin-2-one;(4E)-4-[[5-[4-(2-cyclopropylacetyl)piperazin-1-yl]-7-(cyclopropylamino)pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylidenepyrrolidin-2-one;(4E)-4-[[7-(cyclopropylamino)-5-[4-(2,2-difluorocyclopropanecarbonyl)piperazin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylidenepyrrolidin-2-one;(4E)-4-[[7-(cyclopropylamino)-5-[4-(2-morpholin-4-ylacetyl)piperazin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylidenepyrrolidin-2-one;(4E)-4-[[7-(cyclopropylamino)-5-[4-[1-(trifluoromethyl)cyclopropanecarbonyl]piperazin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylidenepyrrolidin-2-one
CID 159868257
(4E)-4-[[7-(cyclopropylamino)-5-[[4-(3-morpholin-4-yl-2-oxopropyl)cyclohexyl]amino]pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylidenepyrrolidin-2-one;(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-3-pyrrolidin-1-ylbutyl)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-[[7-(cyclopropylamino)-5-[[4-[2-oxo-2-[1-(trifluoromethyl)cyclopropyl]ethyl]cyclohexyl]amino]pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylidenepyrrolidin-2-one
CID 160346511
(4E)-4-[[5-[4-(cyclobutanecarbonyl)piperazin-1-yl]-7-(cyclopropylamino)pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylidenepyrrolidin-2-one;(4E)-4-[[5-[4-(2-cyclopropylacetyl)piperazin-1-yl]-7-(cyclopropylamino)pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylidenepyrrolidin-2-one;(4E)-4-[[7-(cyclopropylamino)-5-[4-(2,2-difluorocyclopropanecarbonyl)piperazin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylidenepyrrolidin-2-one;(4E)-4-[[7-(cyclopropylamino)-5-[4-(2-morpholin-4-ylacetyl)piperazin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylidenepyrrolidin-2-one
CID 161033190
(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;(4E)-4-[[7-(cyclopropylamino)-5-[[4-[2-(1-methylcyclopropyl)-2-oxoethyl]cyclohexyl]amino]pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylidenepyrrolidin-2-one;(4E)-4-[[7-(cyclopropylamino)-5-[[4-[2-(2-methylcyclopropyl)-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
CID 161570555
(4E)-4-[[7-(cyclopropylamino)-5-(dicyclopropylmethylamino)pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylidenepyrrolidin-2-one;(4E)-4-[[7-(cyclopropylamino)-5-[(4,4-difluorocyclohexyl)amino]pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylidenepyrrolidin-2-one;(4E)-4-[[7-(cyclopropylamino)-5-[(1-methylpiperidin-2-yl)methylamino]pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylidenepyrrolidin-2-one;(4E)-4-[[7-(cyclopropylamino)-5-(2-morpholin-4-ylethylamino)pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylidenepyrrolidin-2-one;(4E)-4-[[7-(cyclopropylamino)-5-(4-morpholin-4-ylpiperidin-1-yl)pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylidenepyrrolidin-2-one
CID 161922427
(4E)-4-[[7-(cyclopropylamino)-5-[[(1S)-1-cyclopropylethyl]amino]pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylidenepyrrolidin-2-one;(4E)-4-[[7-(cyclopropylamino)-5-[[(1R)-1-cyclopropylethyl]amino]pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylidenepyrrolidin-2-one;(4E)-4-[[7-(cyclopropylamino)-5-(cyclopropylmethylamino)pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylidenepyrrolidin-2-one;(4E)-4-[[7-(cyclopropylamino)-5-(morpholin-4-ylamino)pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylidenepyrrolidin-2-one;(4E)-4-[[7-(cyclopropylamino)-5-(piperidin-4-ylamino)pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylidenepyrrolidin-2-one
CID 157466114
(4E)-4-[[2-(cyclopropylamino)-4-[2-(3-fluorophenyl)ethylamino]pyrazolo[1,5-a][1,3,5]triazin-8-yl]methylidene]-5-methylidenepyrrolidin-2-one;(3E)-3-[[2-[[(1R)-1-cyclopropylethyl]amino]-4-[2-(3-fluorophenyl)ethylamino]pyrazolo[1,5-a][1,3,5]triazin-8-yl]methylidene]-5-methylidenepyrrolidin-2-one;(4E)-4-[[2-(dimethylamino)-4-[2-(3-fluorophenyl)ethylamino]pyrazolo[1,5-a][1,3,5]triazin-8-yl]methylidene]-5-methylidenepyrrolidin-2-one;(4E)-4-[[4-[2-(3-fluorophenyl)ethylamino]-2-(2-methoxyethylamino)pyrazolo[1,5-a][1,3,5]triazin-8-yl]methylidene]-5-methylidenepyrrolidin-2-one
CID 157652250
(4E)-4-[[5-[4-(cyclobutanecarbonyl)piperazin-1-yl]-7-(cyclopropylamino)pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylidenepyrrolidin-2-one;(4E)-4-[[5-[4-(2-cyclopropylacetyl)piperazin-1-yl]-7-(cyclopropylamino)pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylidenepyrrolidin-2-one;(4E)-4-[[7-(cyclopropylamino)-5-[4-(2-morpholin-4-ylacetyl)piperazin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylidenepyrrolidin-2-one;ethyl N-[7-(cyclopropylamino)-3-[(E)-(2-methylidene-5-oxopyrrolidin-3-ylidene)methyl]pyrazolo[1,5-a]pyrimidin-5-yl]carbamate
CID 157775844
(4E)-4-[[2,4-bis(2-methoxyethylamino)pyrazolo[1,5-a][1,3,5]triazin-8-yl]methylidene]-5-methylidenepyrrolidin-2-one;(4E)-4-[[2-(cyclopropylamino)-4-(2-methoxyethylamino)pyrazolo[1,5-a][1,3,5]triazin-8-yl]methylidene]-5-methylidenepyrrolidin-2-one;(3E)-3-[[2-[[(1R)-1-cyclopropylethyl]amino]-4-(2-methoxyethylamino)pyrazolo[1,5-a][1,3,5]triazin-8-yl]methylidene]-5-methylidenepyrrolidin-2-one;(4E)-4-[[2-(dimethylamino)-4-(2-methoxyethylamino)pyrazolo[1,5-a][1,3,5]triazin-8-yl]methylidene]-5-methylidenepyrrolidin-2-one;(4E)-4-[[2-[(3S)-3-fluoropyrrolidin-1-yl]-4-(2-methoxyethylamino)pyrazolo[1,5-a][1,3,5]triazin-8-yl]methylidene]-5-methylidenepyrrolidin-2-one
CID 157789530

Frequently Asked Questions

What is the IUPAC name of (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;(4E)-4-[[7-(cyclopropylamino)-5-[[4-(3-morpholin-4-yl-2-oxopropyl)cyclohexyl]amino]pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylidenepyrrolidin-2-one;(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-3-pyrrolidin-1-ylbutyl)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-[[7-(cyclopropylamino)-5-[[4-[2-(2,2-difluorocyclopropyl)-2-oxoethyl]cyclohexyl]amino]pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylidenepyrrolidin-2-one;(4E)-4-[[7-(cyclopropylamino)-5-[[4-(3-morpholin-4-yl-2-oxopropyl)cyclohexyl]amino]pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylidenepyrrolidin-2-one;(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-3-pyrrolidin-1-ylbutyl)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 157404158) is (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;(4E)-4-[[7-(cyclopropylamino)-5-[[4-(3-morpholin-4-yl-2-oxopropyl)cyclohexyl]amino]pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylidenepyrrolidin-2-one;(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-3-pyrrolidin-1-ylbutyl)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-[[7-(cyclopropylamino)-5-[[4-[2-(2,2-difluorocyclopropyl)-2-oxoethyl]cyclohexyl]amino]pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylidenepyrrolidin-2-one;(4E)-4-[[7-(cyclopropylamino)-5-[[4-(3-morpholin-4-yl-2-oxopropyl)cyclohexyl]amino]pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylidenepyrrolidin-2-one;(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-3-pyrrolidin-1-ylbutyl)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-[[7-(cyclopropylamino)-5-[[4-[2-(2,2-difluorocyclopropyl)-2-oxoethyl]cyclohexyl]amino]pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylidenepyrrolidin-2-one;(4E)-4-[[7-(cyclopropylamino)-5-[[4-(3-morpholin-4-yl-2-oxopropyl)cyclohexyl]amino]pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylidenepyrrolidin-2-one;(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-3-pyrrolidin-1-ylbutyl)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)C(C)N4CCCC4)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)CCN4CCCC4)CC3)nc12.C=C1NC(=O)C/C1=C\c1cnn2c(NC3CC3)cc(NC3CCC(CC(=O)CN4CCCCC4)CC3)nc12.C=C1NC(=O)C/C1=C\c1cnn2c(NC3CC3)cc(NC3CCC(CC(=O)CN4CCOCC4)CC3)nc12.
What is the InChIKey of (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;(4E)-4-[[7-(cyclopropylamino)-5-[[4-(3-morpholin-4-yl-2-oxopropyl)cyclohexyl]amino]pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylidenepyrrolidin-2-one;(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-3-pyrrolidin-1-ylbutyl)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 BNNGXWKBEWKXOO-UZNILQILSA-N. The full InChI is InChI=1S/3C29H39N7O2.C28H37N7O3.C26H30F2N6O2/c1-18-21(15-28(38)31-18)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)19(2)35-11-3-4-12-35;1-19-21(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;1-18-20(14-27(37)30-18)13-21-16-29-35-26(32-23-6-7-23)15-25(33-28(21)35)31-22-4-2-19(3-5-22)12-24(36)17-34-8-10-38-11-9-34;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/h14,16-17,19-20,23-24,33H,1,3-13,15H2,2H3,(H,31,38)(H,32,34);15,17-18,20,23-24,33H,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);13,15-16,19,22-23,32H,1-12,14,17H2,(H,30,37)(H,31,33);9,11,13,15,18-20,32H,1-8,10,12H2,(H,30,36)(H,31,33)/b21-14+;21-15+;21-14+;20-13+;16-9+.
What are the key properties of (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;(4E)-4-[[7-(cyclopropylamino)-5-[[4-(3-morpholin-4-yl-2-oxopropyl)cyclohexyl]amino]pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylidenepyrrolidin-2-one;(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-3-pyrrolidin-1-ylbutyl)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-[[7-(cyclopropylamino)-5-[[4-[2-(2,2-difluorocyclopropyl)-2-oxoethyl]cyclohexyl]amino]pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylidenepyrrolidin-2-one;(4E)-4-[[7-(cyclopropylamino)-5-[[4-(3-morpholin-4-yl-2-oxopropyl)cyclohexyl]amino]pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylidenepyrrolidin-2-one;(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-3-pyrrolidin-1-ylbutyl)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 2569.25 g/mol, XLogP of 19.70, 45 rotatable bonds, 15 hydrogen bond donors, and 40 hydrogen bond acceptors.
Where does this data come from?
All data for (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;(4E)-4-[[7-(cyclopropylamino)-5-[[4-(3-morpholin-4-yl-2-oxopropyl)cyclohexyl]amino]pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylidenepyrrolidin-2-one;(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-3-pyrrolidin-1-ylbutyl)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 157404158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).