(4E)-4-[[5-[1-(1,3-benzodioxol-5-yl)ethylamino]-7-(cyclopropylamino)pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylidenepyrrolidin-2-one;(4E)-4-[[7-(cyclopropylamino)-5-[(2,6-dichlorophenyl)methylamino]pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylidenepyrrolidin-2-one;(4E)-4-[[7-(cyclopropylamino)-5-[(2,4-difluorophenyl)methylamino]pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylidenepyrrolidin-2-one;(4E)-4-[[7-(cyclopropylamino)-5-[(2-fluorophenyl)methylamino]pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylidenepyrrolidin-2-one;(4E)-4-[[7-(cyclopropylamino)-5-[1-(5-methyl-2-pyridinyl)ethylamino]pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylidenepyrrolidin-2-one

C113H110Cl2F3N31O7 — CID 159073154

IUPAC(4E)-4-[[5-[1-(1,3-benzodioxol-5-yl)ethylamino]-7-(cyclopropylamino)pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylidenepyrrolidin-2-one;(4E)-4-[[7-(cyclopropylamino)-5-[(2,6-dichlorophenyl)methylamino]pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylidenepyrrolidin-2-one;(4E)-4-[[7-(cyclopropylamino)-5-[(2,4-difluorophenyl)methylamino]pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylidenepyrrolidin-2-one;(4E)-4-[[7-(cyclopropylamino)-5-[(2-fluorophenyl)methylamino]pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylidenepyrrolidin-2-one;(4E)-4-[[7-(cyclopropylamino)-5-[1-(5-methyl-2-pyridinyl)ethylamino]pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylidenepyrrolidin-2-one
SMILESC=C1NC(=O)C/C1=C\c1cnn2c(NC3CC3)cc(NC(C)c3ccc(C)cn3)nc12.C=C1NC(=O)C/C1=C\c1cnn2c(NC3CC3)cc(NC(C)c3ccc4c(c3)OCO4)nc12.C=C1NC(=O)C/C1=C\c1cnn2c(NC3CC3)cc(NCc3c(Cl)cccc3Cl)nc12.C=C1NC(=O)C/C1=C\c1cnn2c(NC3CC3)cc(NCc3ccc(F)cc3F)nc12.C=C1NC(=O)C/C1=C\c1cnn2c(NC3CC3)cc(NCc3ccccc3F)nc12
InChIInChI=1S/C24H24N6O3.C23H25N7O.C22H20Cl2N6O.C22H20F2N6O.C22H21FN6O/c1-13(15-3-6-19-20(8-15)33-12-32-19)26-21-10-22(28-18-4-5-18)30-24(29-21)17(11-25-30)7-16-9-23(31)27-14(16)2;1-13-4-7-19(24-11-13)15(3)26-20-10-21(28-18-5-6-18)30-23(29-20)17(12-25-30)8-16-9-22(31)27-14(16)2;1-12-13(8-21(31)27-12)7-14-10-26-30-20(28-15-5-6-15)9-19(29-22(14)30)25-11-16-17(23)3-2-4-18(16)24;1-12-14(7-21(31)27-12)6-15-11-26-30-20(28-17-4-5-17)9-19(29-22(15)30)25-10-13-2-3-16(23)8-18(13)24;1-13-15(9-21(30)26-13)8-16-12-25-29-20(27-17-6-7-17)10-19(28-22(16)29)24-11-14-4-2-3-5-18(14)23/h3,6-8,10-11,13,18,28H,2,4-5,9,12H2,1H3,(H,26,29)(H,27,31);4,7-8,10-12,15,18,28H,2,5-6,9H2,1,3H3,(H,26,29)(H,27,31);2-4,7,9-10,15,28H,1,5-6,8,11H2,(H,25,29)(H,27,31);2-3,6,8-9,11,17,28H,1,4-5,7,10H2,(H,25,29)(H,27,31);2-5,8,10,12,17,27H,1,6-7,9,11H2,(H,24,28)(H,26,30)/b16-7+;16-8+;13-7+;14-6+;15-8+
InChIKeyJZXMZZZEXCZYKW-BGLQRJOASA-N
MW2142.23 g/mol
LogP18.94
Rot. Bonds30

About (4E)-4-[[5-[1-(1,3-benzodioxol-5-yl)ethylamino]-7-(cyclopropylamino)pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylidenepyrrolidin-2-one;(4E)-4-[[7-(cyclopropylamino)-5-[(2,6-dichlorophenyl)methylamino]pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylidenepyrrolidin-2-one;(4E)-4-[[7-(cyclopropylamino)-5-[(2,4-difluorophenyl)methylamino]pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylidenepyrrolidin-2-one;(4E)-4-[[7-(cyclopropylamino)-5-[(2-fluorophenyl)methylamino]pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylidenepyrrolidin-2-one;(4E)-4-[[7-(cyclopropylamino)-5-[1-(5-methyl-2-pyridinyl)ethylamino]pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylidenepyrrolidin-2-one

(4E)-4-[[5-[1-(1,3-benzodioxol-5-yl)ethylamino]-7-(cyclopropylamino)pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylidenepyrrolidin-2-one;(4E)-4-[[7-(cyclopropylamino)-5-[(2,6-dichlorophenyl)methylamino]pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylidenepyrrolidin-2-one;(4E)-4-[[7-(cyclopropylamino)-5-[(2,4-difluorophenyl)methylamino]pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylidenepyrrolidin-2-one;(4E)-4-[[7-(cyclopropylamino)-5-[(2-fluorophenyl)methylamino]pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylidenepyrrolidin-2-one;(4E)-4-[[7-(cyclopropylamino)-5-[1-(5-methyl-2-pyridinyl)ethylamino]pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylidenepyrrolidin-2-one (PubChem CID 159073154) has the molecular formula C113H110Cl2F3N31O7 and a molecular weight of 2142.23 g/mol. Its IUPAC name is (4E)-4-[[5-[1-(1,3-benzodioxol-5-yl)ethylamino]-7-(cyclopropylamino)pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylidenepyrrolidin-2-one;(4E)-4-[[7-(cyclopropylamino)-5-[(2,6-dichlorophenyl)methylamino]pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylidenepyrrolidin-2-one;(4E)-4-[[7-(cyclopropylamino)-5-[(2,4-difluorophenyl)methylamino]pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylidenepyrrolidin-2-one;(4E)-4-[[7-(cyclopropylamino)-5-[(2-fluorophenyl)methylamino]pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylidenepyrrolidin-2-one;(4E)-4-[[7-(cyclopropylamino)-5-[1-(5-methyl-2-pyridinyl)ethylamino]pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylidenepyrrolidin-2-one.

Molecular Properties

Compound Name(4E)-4-[[5-[1-(1,3-benzodioxol-5-yl)ethylamino]-7-(cyclopropylamino)pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylidenepyrrolidin-2-one;(4E)-4-[[7-(cyclopropylamino)-5-[(2,6-dichlorophenyl)methylamino]pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylidenepyrrolidin-2-one;(4E)-4-[[7-(cyclopropylamino)-5-[(2,4-difluorophenyl)methylamino]pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylidenepyrrolidin-2-one;(4E)-4-[[7-(cyclopropylamino)-5-[(2-fluorophenyl)methylamino]pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylidenepyrrolidin-2-one;(4E)-4-[[7-(cyclopropylamino)-5-[1-(5-methyl-2-pyridinyl)ethylamino]pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylidenepyrrolidin-2-one
PubChem CID159073154
Molecular FormulaC113H110Cl2F3N31O7
Molecular Weight2142.23 g/mol
Exact Mass2139.85
IUPAC Name(4E)-4-[[5-[1-(1,3-benzodioxol-5-yl)ethylamino]-7-(cyclopropylamino)pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylidenepyrrolidin-2-one;(4E)-4-[[7-(cyclopropylamino)-5-[(2,6-dichlorophenyl)methylamino]pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylidenepyrrolidin-2-one;(4E)-4-[[7-(cyclopropylamino)-5-[(2,4-difluorophenyl)methylamino]pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylidenepyrrolidin-2-one;(4E)-4-[[7-(cyclopropylamino)-5-[(2-fluorophenyl)methylamino]pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylidenepyrrolidin-2-one;(4E)-4-[[7-(cyclopropylamino)-5-[1-(5-methyl-2-pyridinyl)ethylamino]pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylidenepyrrolidin-2-one
SMILESC=C1NC(=O)C/C1=C\c1cnn2c(NC3CC3)cc(NC(C)c3ccc(C)cn3)nc12.C=C1NC(=O)C/C1=C\c1cnn2c(NC3CC3)cc(NC(C)c3ccc4c(c3)OCO4)nc12.C=C1NC(=O)C/C1=C\c1cnn2c(NC3CC3)cc(NCc3c(Cl)cccc3Cl)nc12.C=C1NC(=O)C/C1=C\c1cnn2c(NC3CC3)cc(NCc3ccc(F)cc3F)nc12.C=C1NC(=O)C/C1=C\c1cnn2c(NC3CC3)cc(NCc3ccccc3F)nc12
InChIInChI=1S/C24H24N6O3.C23H25N7O.C22H20Cl2N6O.C22H20F2N6O.C22H21FN6O/c1-13(15-3-6-19-20(8-15)33-12-32-19)26-21-10-22(28-18-4-5-18)30-24(29-21)17(11-25-30)7-16-9-23(31)27-14(16)2;1-13-4-7-19(24-11-13)15(3)26-20-10-21(28-18-5-6-18)30-23(29-20)17(12-25-30)8-16-9-22(31)27-14(16)2;1-12-13(8-21(31)27-12)7-14-10-26-30-20(28-15-5-6-15)9-19(29-22(14)30)25-11-16-17(23)3-2-4-18(16)24;1-12-14(7-21(31)27-12)6-15-11-26-30-20(28-17-4-5-17)9-19(29-22(15)30)25-10-13-2-3-16(23)8-18(13)24;1-13-15(9-21(30)26-13)8-16-12-25-29-20(27-17-6-7-17)10-19(28-22(16)29)24-11-14-4-2-3-5-18(14)23/h3,6-8,10-11,13,18,28H,2,4-5,9,12H2,1H3,(H,26,29)(H,27,31);4,7-8,10-12,15,18,28H,2,5-6,9H2,1,3H3,(H,26,29)(H,27,31);2-4,7,9-10,15,28H,1,5-6,8,11H2,(H,25,29)(H,27,31);2-3,6,8-9,11,17,28H,1,4-5,7,10H2,(H,25,29)(H,27,31);2-5,8,10,12,17,27H,1,6-7,9,11H2,(H,24,28)(H,26,30)/b16-7+;16-8+;13-7+;14-6+;15-8+
InChIKeyJZXMZZZEXCZYKW-BGLQRJOASA-N
XLogP18.94
TPSA448.10 Ų
H-Bond Donors15
H-Bond Acceptors33
Rotatable Bonds30
Heavy Atoms156
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002142.23
LogP ≤ 518.94
H-Bond Donors ≤ 515
H-Bond Acceptors ≤ 1033

Analyze (4E)-4-[[5-[1-(1,3-benzodioxol-5-yl)ethylamino]-7-(cyclopropylamino)pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylidenepyrrolidin-2-one;(4E)-4-[[7-(cyclopropylamino)-5-[(2,6-dichlorophenyl)methylamino]pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylidenepyrrolidin-2-one;(4E)-4-[[7-(cyclopropylamino)-5-[(2,4-difluorophenyl)methylamino]pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylidenepyrrolidin-2-one;(4E)-4-[[7-(cyclopropylamino)-5-[(2-fluorophenyl)methylamino]pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylidenepyrrolidin-2-one;(4E)-4-[[7-(cyclopropylamino)-5-[1-(5-methyl-2-pyridinyl)ethylamino]pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylidenepyrrolidin-2-one with MolForge

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Related Compounds

N-[(2-chlorophenyl)methyl]-5-methyl-7-(oxan-4-yl)-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine;N-[(2,2-difluoro-1,3-benzodioxol-5-yl)methyl]-5-methyl-7-(oxan-4-yl)-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine;N-[(2,5-difluorophenyl)methyl]-5-methyl-7-(oxan-4-yl)-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine;N-[(3,5-difluorophenyl)methyl]-5-methyl-7-(oxan-4-yl)-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine;5-methyl-N-[[1-(2-methylphenyl)pyrazol-4-yl]methyl]-7-(oxan-4-yl)-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine;5-methyl-N-[(3-methyl-1-phenylpyrazol-4-yl)methyl]-7-(oxan-4-yl)-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine
CID 157836104
(3E)-3-[[7-(cyclopropylamino)-5-[(3,5-difluorophenyl)methyl]pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]pyrrolidine-2,5-dione;(3E)-3-[[7-(cyclopropylamino)-5-[(3-fluorophenyl)methyl]pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]pyrrolidine-2,5-dione;(3E)-3-[[7-(cyclopropylamino)-5-[(3-methoxyphenyl)methyl]pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]pyrrolidine-2,5-dione;(3E)-3-[[7-(cyclopropylamino)-5-[(3-methylphenyl)methyl]pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]pyrrolidine-2,5-dione;(3E)-3-[[7-(cyclopropylamino)-5-[[3-(trifluoromethoxy)phenyl]methyl]pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]pyrrolidine-2,5-dione
CID 158200963
1-[3-Chloro-5-[4-imidazo[1,2-a]pyridin-2-yl-5-methyl-6-[methyl(oxan-4-yl)amino]pyrimidin-2-yl]phenoxy]-3-(methylamino)propan-2-ol;1-[3-chloro-5-[5-methyl-4-[methyl(oxan-4-yl)amino]-6-([1,2,4]triazolo[4,3-a]pyridin-7-yl)pyrimidin-2-yl]phenoxy]-3-(methylamino)propan-2-ol;1-[3-[[6-[6-(1,1-difluoroethyl)-3-pyridinyl]-2-[3-[2-hydroxy-3-(methylamino)propoxy]phenyl]pyrimidin-4-yl]amino]propyl]pyrrolidin-2-one;1-[3-[[6-(3,4-dimethoxyphenyl)-2-[3-[2-hydroxy-3-(methylamino)propoxy]phenyl]pyrimidin-4-yl]amino]propyl]pyrrolidin-2-one
CID 159341057
N-[(2-chlorophenyl)methyl]-5-methyl-7-(oxan-4-yl)-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine;N-[(3-chlorophenyl)methyl]-5-methyl-7-(oxan-4-yl)-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine;N-[(2,2-difluoro-1,3-benzodioxol-5-yl)methyl]-5-methyl-7-(oxan-4-yl)-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine;N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-5-methyl-7-(oxan-4-yl)-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine;N-[(4-methoxyphenyl)methyl]-5-methyl-7-(oxolan-3-yl)-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine;5-methyl-7-(4-methyloxan-4-yl)-N-[(2-methyl-4-pyridinyl)methyl]-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine
CID 160660886
N-[4-(4-chloro-3-fluorophenyl)oxan-4-yl]-6-cyclopropylpyrazolo[1,5-a]pyrimidine-3-carboxamide;6-cyclopropyl-N-[4-[4-(difluoromethoxy)-3-fluorophenyl]oxan-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;6-cyclopropyl-N-[4-[3-fluoro-5-(trifluoromethyl)-2-pyridinyl]oxan-4-yl]-2-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[4-[4-(difluoromethoxy)-3-fluorophenyl]oxan-4-yl]-6-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[4-[3-fluoro-5-(trifluoromethyl)-2-pyridinyl]oxan-4-yl]-2,6-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[4-[3-fluoro-5-(trifluoromethyl)-2-pyridinyl]oxan-4-yl]-6-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 161856274
(3E)-3-[[5-(1,3-benzodioxol-5-ylmethyl)-7-(cyclopropylamino)pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]pyrrolidine-2,5-dione;(3E)-3-[[7-(cyclopropylamino)-5-[(2,4-difluorophenyl)methyl]pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]pyrrolidine-2,5-dione;(3E)-3-[[7-(cyclopropylamino)-5-[(3,4-difluorophenyl)methyl]pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]pyrrolidine-2,5-dione;(3E)-3-[[7-(cyclopropylamino)-5-(N-methylanilino)pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]pyrrolidine-2,5-dione;(3E)-3-[[7-(cyclopropylamino)-5-[[2-(trifluoromethyl)phenyl]methyl]pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]pyrrolidine-2,5-dione
CID 162254121
5-(1,3-benzodioxol-4-yl)-N-[(1S)-1-cyclopropylethyl]-7-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide;5-(1,3-benzodioxol-4-yl)-N-(1-cyclopropyl-2,2,2-trifluoroethyl)-7-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[(1R)-1-cyclopropyl-2,2,2-trifluoroethyl]-5-(3-fluoropyrazol-1-yl)-7-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[(1S)-1-cyclopropyl-2,2,2-trifluoroethyl]-5-(3-fluoropyrazol-1-yl)-7-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide;N-(1-cyclopropyl-2,2,2-trifluoroethyl)-5-(3-fluoropyrazol-1-yl)-7-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide;N-(1-cyclopropyl-2,2,2-trifluoroethyl)-7-methyl-5-(6-pyrimidin-2-yl-2-pyridinyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 164157141
N-[(4-chlorophenyl)methyl]-3-(3,4-dimethoxyphenyl)-2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-amine;3-(4-methoxyphenyl)-2,5-dimethyl-N-(pyridin-3-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine;3-(4-methoxyphenyl)-2,5-dimethyl-N-(pyridin-4-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine
CID 118255791
5-(1,3-benzodioxol-5-yl)-3-bromo-N-(pyridin-3-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine;3-bromo-5-(2-bromophenyl)-N-[(1-methoxypyridin-1-ium-3-yl)methyl]pyrazolo[1,5-a]pyrimidin-7-amine;3-bromo-5-(2,4-dichlorophenyl)-N-(pyridin-3-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine;3-bromo-5-(2-fluorophenyl)-N-[(1-hydroxy-6-methylpyridin-1-ium-3-yl)methyl]pyrazolo[1,5-a]pyrimidin-7-amine
CID 157076075
N-(1,3-benzodioxol-5-ylmethyl)-4-[7-[(dimethylamino)methyl]-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-amine;N-[(2-chlorophenyl)methyl]-4-[7-[(dimethylamino)methyl]-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-amine;N-cyclopentyl-4-[7-[(dimethylamino)methyl]-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-amine;4-[7-[(dimethylamino)methyl]-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]-N-[(4-methylphenyl)methyl]pyrimidin-2-amine
CID 157179293
N-[(3R)-1-[6-chloro-2-methyl-3-[3-(prop-1-en-2-ylamino)phenyl]imidazo[1,2-b]pyridazin-8-yl]pyrrolidin-3-yl]acetamide;N-[(3R)-1-[3-(3,4-dimethoxyphenyl)-2-methylimidazo[1,2-b]pyridazin-8-yl]pyrrolidin-3-yl]acetamide;N-[(3R)-1-[2,6-dimethyl-3-[3-(prop-1-en-2-ylamino)phenyl]imidazo[1,2-b]pyridazin-8-yl]pyrrolidin-3-yl]acetamide;N-[(3R)-1-[3-(3-methoxyphenyl)-2,6-dimethylimidazo[1,2-b]pyridazin-8-yl]pyrrolidin-3-yl]acetamide
CID 157753616
N-[(3R)-1-[6-chloro-3-(4-fluorophenyl)-2-methylimidazo[1,2-b]pyridazin-8-yl]pyrrolidin-3-yl]acetamide;N-[(3R)-1-[6-chloro-3-(3-methoxyphenyl)-2-methylimidazo[1,2-b]pyridazin-8-yl]pyrrolidin-3-yl]acetamide;N-[(3R)-1-[6-chloro-3-(4-methoxyphenyl)-2-methylimidazo[1,2-b]pyridazin-8-yl]pyrrolidin-3-yl]acetamide;N-[(3R)-1-[3-(3,4-dimethoxyphenyl)-6-methyl-2-(4-methylphenyl)imidazo[1,2-b]pyridazin-8-yl]pyrrolidin-3-yl]acetamide
CID 157872479

Frequently Asked Questions

What is the IUPAC name of (4E)-4-[[5-[1-(1,3-benzodioxol-5-yl)ethylamino]-7-(cyclopropylamino)pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylidenepyrrolidin-2-one;(4E)-4-[[7-(cyclopropylamino)-5-[(2,6-dichlorophenyl)methylamino]pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylidenepyrrolidin-2-one;(4E)-4-[[7-(cyclopropylamino)-5-[(2,4-difluorophenyl)methylamino]pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylidenepyrrolidin-2-one;(4E)-4-[[7-(cyclopropylamino)-5-[(2-fluorophenyl)methylamino]pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylidenepyrrolidin-2-one;(4E)-4-[[7-(cyclopropylamino)-5-[1-(5-methyl-2-pyridinyl)ethylamino]pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylidenepyrrolidin-2-one?
The IUPAC name of (4E)-4-[[5-[1-(1,3-benzodioxol-5-yl)ethylamino]-7-(cyclopropylamino)pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylidenepyrrolidin-2-one;(4E)-4-[[7-(cyclopropylamino)-5-[(2,6-dichlorophenyl)methylamino]pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylidenepyrrolidin-2-one;(4E)-4-[[7-(cyclopropylamino)-5-[(2,4-difluorophenyl)methylamino]pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylidenepyrrolidin-2-one;(4E)-4-[[7-(cyclopropylamino)-5-[(2-fluorophenyl)methylamino]pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylidenepyrrolidin-2-one;(4E)-4-[[7-(cyclopropylamino)-5-[1-(5-methyl-2-pyridinyl)ethylamino]pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylidenepyrrolidin-2-one (CID 159073154) is (4E)-4-[[5-[1-(1,3-benzodioxol-5-yl)ethylamino]-7-(cyclopropylamino)pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylidenepyrrolidin-2-one;(4E)-4-[[7-(cyclopropylamino)-5-[(2,6-dichlorophenyl)methylamino]pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylidenepyrrolidin-2-one;(4E)-4-[[7-(cyclopropylamino)-5-[(2,4-difluorophenyl)methylamino]pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylidenepyrrolidin-2-one;(4E)-4-[[7-(cyclopropylamino)-5-[(2-fluorophenyl)methylamino]pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylidenepyrrolidin-2-one;(4E)-4-[[7-(cyclopropylamino)-5-[1-(5-methyl-2-pyridinyl)ethylamino]pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylidenepyrrolidin-2-one.
What is the SMILES notation for (4E)-4-[[5-[1-(1,3-benzodioxol-5-yl)ethylamino]-7-(cyclopropylamino)pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylidenepyrrolidin-2-one;(4E)-4-[[7-(cyclopropylamino)-5-[(2,6-dichlorophenyl)methylamino]pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylidenepyrrolidin-2-one;(4E)-4-[[7-(cyclopropylamino)-5-[(2,4-difluorophenyl)methylamino]pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylidenepyrrolidin-2-one;(4E)-4-[[7-(cyclopropylamino)-5-[(2-fluorophenyl)methylamino]pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylidenepyrrolidin-2-one;(4E)-4-[[7-(cyclopropylamino)-5-[1-(5-methyl-2-pyridinyl)ethylamino]pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylidenepyrrolidin-2-one?
The canonical SMILES for (4E)-4-[[5-[1-(1,3-benzodioxol-5-yl)ethylamino]-7-(cyclopropylamino)pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylidenepyrrolidin-2-one;(4E)-4-[[7-(cyclopropylamino)-5-[(2,6-dichlorophenyl)methylamino]pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylidenepyrrolidin-2-one;(4E)-4-[[7-(cyclopropylamino)-5-[(2,4-difluorophenyl)methylamino]pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylidenepyrrolidin-2-one;(4E)-4-[[7-(cyclopropylamino)-5-[(2-fluorophenyl)methylamino]pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylidenepyrrolidin-2-one;(4E)-4-[[7-(cyclopropylamino)-5-[1-(5-methyl-2-pyridinyl)ethylamino]pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylidenepyrrolidin-2-one is C=C1NC(=O)C/C1=C\c1cnn2c(NC3CC3)cc(NC(C)c3ccc(C)cn3)nc12.C=C1NC(=O)C/C1=C\c1cnn2c(NC3CC3)cc(NC(C)c3ccc4c(c3)OCO4)nc12.C=C1NC(=O)C/C1=C\c1cnn2c(NC3CC3)cc(NCc3c(Cl)cccc3Cl)nc12.C=C1NC(=O)C/C1=C\c1cnn2c(NC3CC3)cc(NCc3ccc(F)cc3F)nc12.C=C1NC(=O)C/C1=C\c1cnn2c(NC3CC3)cc(NCc3ccccc3F)nc12.
What is the InChIKey of (4E)-4-[[5-[1-(1,3-benzodioxol-5-yl)ethylamino]-7-(cyclopropylamino)pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylidenepyrrolidin-2-one;(4E)-4-[[7-(cyclopropylamino)-5-[(2,6-dichlorophenyl)methylamino]pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylidenepyrrolidin-2-one;(4E)-4-[[7-(cyclopropylamino)-5-[(2,4-difluorophenyl)methylamino]pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylidenepyrrolidin-2-one;(4E)-4-[[7-(cyclopropylamino)-5-[(2-fluorophenyl)methylamino]pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylidenepyrrolidin-2-one;(4E)-4-[[7-(cyclopropylamino)-5-[1-(5-methyl-2-pyridinyl)ethylamino]pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylidenepyrrolidin-2-one?
The InChIKey is JZXMZZZEXCZYKW-BGLQRJOASA-N. The full InChI is InChI=1S/C24H24N6O3.C23H25N7O.C22H20Cl2N6O.C22H20F2N6O.C22H21FN6O/c1-13(15-3-6-19-20(8-15)33-12-32-19)26-21-10-22(28-18-4-5-18)30-24(29-21)17(11-25-30)7-16-9-23(31)27-14(16)2;1-13-4-7-19(24-11-13)15(3)26-20-10-21(28-18-5-6-18)30-23(29-20)17(12-25-30)8-16-9-22(31)27-14(16)2;1-12-13(8-21(31)27-12)7-14-10-26-30-20(28-15-5-6-15)9-19(29-22(14)30)25-11-16-17(23)3-2-4-18(16)24;1-12-14(7-21(31)27-12)6-15-11-26-30-20(28-17-4-5-17)9-19(29-22(15)30)25-10-13-2-3-16(23)8-18(13)24;1-13-15(9-21(30)26-13)8-16-12-25-29-20(27-17-6-7-17)10-19(28-22(16)29)24-11-14-4-2-3-5-18(14)23/h3,6-8,10-11,13,18,28H,2,4-5,9,12H2,1H3,(H,26,29)(H,27,31);4,7-8,10-12,15,18,28H,2,5-6,9H2,1,3H3,(H,26,29)(H,27,31);2-4,7,9-10,15,28H,1,5-6,8,11H2,(H,25,29)(H,27,31);2-3,6,8-9,11,17,28H,1,4-5,7,10H2,(H,25,29)(H,27,31);2-5,8,10,12,17,27H,1,6-7,9,11H2,(H,24,28)(H,26,30)/b16-7+;16-8+;13-7+;14-6+;15-8+.
What are the key properties of (4E)-4-[[5-[1-(1,3-benzodioxol-5-yl)ethylamino]-7-(cyclopropylamino)pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylidenepyrrolidin-2-one;(4E)-4-[[7-(cyclopropylamino)-5-[(2,6-dichlorophenyl)methylamino]pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylidenepyrrolidin-2-one;(4E)-4-[[7-(cyclopropylamino)-5-[(2,4-difluorophenyl)methylamino]pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylidenepyrrolidin-2-one;(4E)-4-[[7-(cyclopropylamino)-5-[(2-fluorophenyl)methylamino]pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylidenepyrrolidin-2-one;(4E)-4-[[7-(cyclopropylamino)-5-[1-(5-methyl-2-pyridinyl)ethylamino]pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylidenepyrrolidin-2-one?
(4E)-4-[[5-[1-(1,3-benzodioxol-5-yl)ethylamino]-7-(cyclopropylamino)pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylidenepyrrolidin-2-one;(4E)-4-[[7-(cyclopropylamino)-5-[(2,6-dichlorophenyl)methylamino]pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylidenepyrrolidin-2-one;(4E)-4-[[7-(cyclopropylamino)-5-[(2,4-difluorophenyl)methylamino]pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylidenepyrrolidin-2-one;(4E)-4-[[7-(cyclopropylamino)-5-[(2-fluorophenyl)methylamino]pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylidenepyrrolidin-2-one;(4E)-4-[[7-(cyclopropylamino)-5-[1-(5-methyl-2-pyridinyl)ethylamino]pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylidenepyrrolidin-2-one has a molecular weight of 2142.23 g/mol, XLogP of 18.94, 30 rotatable bonds, 15 hydrogen bond donors, and 33 hydrogen bond acceptors.
Where does this data come from?
All data for (4E)-4-[[5-[1-(1,3-benzodioxol-5-yl)ethylamino]-7-(cyclopropylamino)pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylidenepyrrolidin-2-one;(4E)-4-[[7-(cyclopropylamino)-5-[(2,6-dichlorophenyl)methylamino]pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylidenepyrrolidin-2-one;(4E)-4-[[7-(cyclopropylamino)-5-[(2,4-difluorophenyl)methylamino]pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylidenepyrrolidin-2-one;(4E)-4-[[7-(cyclopropylamino)-5-[(2-fluorophenyl)methylamino]pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylidenepyrrolidin-2-one;(4E)-4-[[7-(cyclopropylamino)-5-[1-(5-methyl-2-pyridinyl)ethylamino]pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylidenepyrrolidin-2-one is sourced from PubChem (CID 159073154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).