(4E)-4-[[7-(cyclopropylamino)-5-[[(1S)-1-(3-methoxyphenyl)ethyl]amino]pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylidenepyrrolidin-2-one;4-[[[7-(cyclopropylamino)-3-[(E)-(2-methylidene-5-oxopyrrolidin-3-ylidene)methyl]pyrazolo[1,5-a]pyrimidin-5-yl]amino]methyl]benzenesulfonamide;(4E)-4-[[7-(cyclopropylamino)-5-[[3-(2-methylimidazol-1-yl)phenyl]methylamino]pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylidenepyrrolidin-2-one;(4E)-4-[[7-(cyclopropylamino)-5-[1-(3-propan-2-yloxyphenyl)ethylamino]pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylidenepyrrolidin-2-one;(4E)-4-[[7-(cyclopropylamino)-5-(pyridin-4-ylmethylamino)pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylidenepyrrolidin-2-one

C119H126N34O9S — CID 157453058

IUPAC(4E)-4-[[7-(cyclopropylamino)-5-[[(1S)-1-(3-methoxyphenyl)ethyl]amino]pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylidenepyrrolidin-2-one;4-[[[7-(cyclopropylamino)-3-[(E)-(2-methylidene-5-oxopyrrolidin-3-ylidene)methyl]pyrazolo[1,5-a]pyrimidin-5-yl]amino]methyl]benzenesulfonamide;(4E)-4-[[7-(cyclopropylamino)-5-[[3-(2-methylimidazol-1-yl)phenyl]methylamino]pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylidenepyrrolidin-2-one;(4E)-4-[[7-(cyclopropylamino)-5-[1-(3-propan-2-yloxyphenyl)ethylamino]pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylidenepyrrolidin-2-one;(4E)-4-[[7-(cyclopropylamino)-5-(pyridin-4-ylmethylamino)pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylidenepyrrolidin-2-one
SMILESC=C1NC(=O)C/C1=C\c1cnn2c(NC3CC3)cc(NC(C)c3cccc(OC(C)C)c3)nc12.C=C1NC(=O)C/C1=C\c1cnn2c(NC3CC3)cc(NCc3ccc(S(N)(=O)=O)cc3)nc12.C=C1NC(=O)C/C1=C\c1cnn2c(NC3CC3)cc(NCc3cccc(-n4ccnc4C)c3)nc12.C=C1NC(=O)C/C1=C\c1cnn2c(NC3CC3)cc(NCc3ccncc3)nc12.C=C1NC(=O)C/C1=C\c1cnn2c(NC3CC3)cc(N[C@@H](C)c3cccc(OC)c3)nc12
InChIInChI=1S/C26H26N8O.C26H30N6O2.C24H26N6O2.C22H23N7O3S.C21H21N7O/c1-16-19(12-25(35)30-16)11-20-15-29-34-24(31-21-6-7-21)13-23(32-26(20)34)28-14-18-4-3-5-22(10-18)33-9-8-27-17(33)2;1-15(2)34-22-7-5-6-18(11-22)16(3)28-23-13-24(30-21-8-9-21)32-26(31-23)20(14-27-32)10-19-12-25(33)29-17(19)4;1-14(16-5-4-6-20(10-16)32-3)26-21-12-22(28-19-7-8-19)30-24(29-21)18(13-25-30)9-17-11-23(31)27-15(17)2;1-13-15(9-21(30)26-13)8-16-12-25-29-20(27-17-4-5-17)10-19(28-22(16)29)24-11-14-2-6-18(7-3-14)33(23,31)32;1-13-15(9-20(29)25-13)8-16-12-24-28-19(26-17-2-3-17)10-18(27-21(16)28)23-11-14-4-6-22-7-5-14/h3-5,8-11,13,15,21,31H,1,6-7,12,14H2,2H3,(H,28,32)(H,30,35);5-7,10-11,13-16,21,30H,4,8-9,12H2,1-3H3,(H,28,31)(H,29,33);4-6,9-10,12-14,19,28H,2,7-8,11H2,1,3H3,(H,26,29)(H,27,31);2-3,6-8,10,12,17,27H,1,4-5,9,11H2,(H,24,28)(H,26,30)(H2,23,31,32);4-8,10,12,17,26H,1-3,9,11H2,(H,23,27)(H,25,29)/b19-11+;19-10+;17-9+;2*15-8+/t;;14-;;/m..0../s1
InChIKeyBTAFJWJZZHEZSN-ZQOIFXEKSA-N
MW2208.61 g/mol
LogP17.12
Rot. Bonds35

About (4E)-4-[[7-(cyclopropylamino)-5-[[(1S)-1-(3-methoxyphenyl)ethyl]amino]pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylidenepyrrolidin-2-one;4-[[[7-(cyclopropylamino)-3-[(E)-(2-methylidene-5-oxopyrrolidin-3-ylidene)methyl]pyrazolo[1,5-a]pyrimidin-5-yl]amino]methyl]benzenesulfonamide;(4E)-4-[[7-(cyclopropylamino)-5-[[3-(2-methylimidazol-1-yl)phenyl]methylamino]pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylidenepyrrolidin-2-one;(4E)-4-[[7-(cyclopropylamino)-5-[1-(3-propan-2-yloxyphenyl)ethylamino]pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylidenepyrrolidin-2-one;(4E)-4-[[7-(cyclopropylamino)-5-(pyridin-4-ylmethylamino)pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylidenepyrrolidin-2-one

(4E)-4-[[7-(cyclopropylamino)-5-[[(1S)-1-(3-methoxyphenyl)ethyl]amino]pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylidenepyrrolidin-2-one;4-[[[7-(cyclopropylamino)-3-[(E)-(2-methylidene-5-oxopyrrolidin-3-ylidene)methyl]pyrazolo[1,5-a]pyrimidin-5-yl]amino]methyl]benzenesulfonamide;(4E)-4-[[7-(cyclopropylamino)-5-[[3-(2-methylimidazol-1-yl)phenyl]methylamino]pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylidenepyrrolidin-2-one;(4E)-4-[[7-(cyclopropylamino)-5-[1-(3-propan-2-yloxyphenyl)ethylamino]pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylidenepyrrolidin-2-one;(4E)-4-[[7-(cyclopropylamino)-5-(pyridin-4-ylmethylamino)pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylidenepyrrolidin-2-one (PubChem CID 157453058) has the molecular formula C119H126N34O9S and a molecular weight of 2208.61 g/mol. Its IUPAC name is (4E)-4-[[7-(cyclopropylamino)-5-[[(1S)-1-(3-methoxyphenyl)ethyl]amino]pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylidenepyrrolidin-2-one;4-[[[7-(cyclopropylamino)-3-[(E)-(2-methylidene-5-oxopyrrolidin-3-ylidene)methyl]pyrazolo[1,5-a]pyrimidin-5-yl]amino]methyl]benzenesulfonamide;(4E)-4-[[7-(cyclopropylamino)-5-[[3-(2-methylimidazol-1-yl)phenyl]methylamino]pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylidenepyrrolidin-2-one;(4E)-4-[[7-(cyclopropylamino)-5-[1-(3-propan-2-yloxyphenyl)ethylamino]pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylidenepyrrolidin-2-one;(4E)-4-[[7-(cyclopropylamino)-5-(pyridin-4-ylmethylamino)pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylidenepyrrolidin-2-one.

Molecular Properties

Compound Name(4E)-4-[[7-(cyclopropylamino)-5-[[(1S)-1-(3-methoxyphenyl)ethyl]amino]pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylidenepyrrolidin-2-one;4-[[[7-(cyclopropylamino)-3-[(E)-(2-methylidene-5-oxopyrrolidin-3-ylidene)methyl]pyrazolo[1,5-a]pyrimidin-5-yl]amino]methyl]benzenesulfonamide;(4E)-4-[[7-(cyclopropylamino)-5-[[3-(2-methylimidazol-1-yl)phenyl]methylamino]pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylidenepyrrolidin-2-one;(4E)-4-[[7-(cyclopropylamino)-5-[1-(3-propan-2-yloxyphenyl)ethylamino]pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylidenepyrrolidin-2-one;(4E)-4-[[7-(cyclopropylamino)-5-(pyridin-4-ylmethylamino)pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylidenepyrrolidin-2-one
PubChem CID157453058
Molecular FormulaC119H126N34O9S
Molecular Weight2208.61 g/mol
Exact Mass2207.02
IUPAC Name(4E)-4-[[7-(cyclopropylamino)-5-[[(1S)-1-(3-methoxyphenyl)ethyl]amino]pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylidenepyrrolidin-2-one;4-[[[7-(cyclopropylamino)-3-[(E)-(2-methylidene-5-oxopyrrolidin-3-ylidene)methyl]pyrazolo[1,5-a]pyrimidin-5-yl]amino]methyl]benzenesulfonamide;(4E)-4-[[7-(cyclopropylamino)-5-[[3-(2-methylimidazol-1-yl)phenyl]methylamino]pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylidenepyrrolidin-2-one;(4E)-4-[[7-(cyclopropylamino)-5-[1-(3-propan-2-yloxyphenyl)ethylamino]pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylidenepyrrolidin-2-one;(4E)-4-[[7-(cyclopropylamino)-5-(pyridin-4-ylmethylamino)pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylidenepyrrolidin-2-one
SMILESC=C1NC(=O)C/C1=C\c1cnn2c(NC3CC3)cc(NC(C)c3cccc(OC(C)C)c3)nc12.C=C1NC(=O)C/C1=C\c1cnn2c(NC3CC3)cc(NCc3ccc(S(N)(=O)=O)cc3)nc12.C=C1NC(=O)C/C1=C\c1cnn2c(NC3CC3)cc(NCc3cccc(-n4ccnc4C)c3)nc12.C=C1NC(=O)C/C1=C\c1cnn2c(NC3CC3)cc(NCc3ccncc3)nc12.C=C1NC(=O)C/C1=C\c1cnn2c(NC3CC3)cc(N[C@@H](C)c3cccc(OC)c3)nc12
InChIInChI=1S/C26H26N8O.C26H30N6O2.C24H26N6O2.C22H23N7O3S.C21H21N7O/c1-16-19(12-25(35)30-16)11-20-15-29-34-24(31-21-6-7-21)13-23(32-26(20)34)28-14-18-4-3-5-22(10-18)33-9-8-27-17(33)2;1-15(2)34-22-7-5-6-18(11-22)16(3)28-23-13-24(30-21-8-9-21)32-26(31-23)20(14-27-32)10-19-12-25(33)29-17(19)4;1-14(16-5-4-6-20(10-16)32-3)26-21-12-22(28-19-7-8-19)30-24(29-21)18(13-25-30)9-17-11-23(31)27-15(17)2;1-13-15(9-21(30)26-13)8-16-12-25-29-20(27-17-4-5-17)10-19(28-22(16)29)24-11-14-2-6-18(7-3-14)33(23,31)32;1-13-15(9-20(29)25-13)8-16-12-24-28-19(26-17-2-3-17)10-18(27-21(16)28)23-11-14-4-6-22-7-5-14/h3-5,8-11,13,15,21,31H,1,6-7,12,14H2,2H3,(H,28,32)(H,30,35);5-7,10-11,13-16,21,30H,4,8-9,12H2,1-3H3,(H,28,31)(H,29,33);4-6,9-10,12-14,19,28H,2,7-8,11H2,1,3H3,(H,26,29)(H,27,31);2-3,6-8,10,12,17,27H,1,4-5,9,11H2,(H,24,28)(H,26,30)(H2,23,31,32);4-8,10,12,17,26H,1-3,9,11H2,(H,23,27)(H,25,29)/b19-11+;19-10+;17-9+;2*15-8+/t;;14-;;/m..0../s1
InChIKeyBTAFJWJZZHEZSN-ZQOIFXEKSA-N
XLogP17.12
TPSA526.08 Ų
H-Bond Donors16
H-Bond Acceptors37
Rotatable Bonds35
Heavy Atoms163
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002208.61
LogP ≤ 517.12
H-Bond Donors ≤ 516
H-Bond Acceptors ≤ 1037

Analyze (4E)-4-[[7-(cyclopropylamino)-5-[[(1S)-1-(3-methoxyphenyl)ethyl]amino]pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylidenepyrrolidin-2-one;4-[[[7-(cyclopropylamino)-3-[(E)-(2-methylidene-5-oxopyrrolidin-3-ylidene)methyl]pyrazolo[1,5-a]pyrimidin-5-yl]amino]methyl]benzenesulfonamide;(4E)-4-[[7-(cyclopropylamino)-5-[[3-(2-methylimidazol-1-yl)phenyl]methylamino]pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylidenepyrrolidin-2-one;(4E)-4-[[7-(cyclopropylamino)-5-[1-(3-propan-2-yloxyphenyl)ethylamino]pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylidenepyrrolidin-2-one;(4E)-4-[[7-(cyclopropylamino)-5-(pyridin-4-ylmethylamino)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-[3-[3-(dimethylamino)propoxy]phenyl]pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylidenepyrrolidin-2-one;(3E)-3-[[7-(cyclopropylamino)-5-(3-ethylsulfonylphenyl)pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylidenepyrrolidin-2-one;3-[7-(cyclopropylamino)-3-[(E)-(5-methylidene-2-oxopyrrolidin-3-ylidene)methyl]pyrazolo[1,5-a]pyrimidin-5-yl]benzonitrile;(3E)-3-[[7-(cyclopropylamino)-5-[3-(methylsulfonylmethyl)phenyl]pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylidenepyrrolidin-2-one;(3E)-3-[[7-(cyclopropylamino)-5-[3-(2-morpholin-4-ylethoxy)phenyl]pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylidenepyrrolidin-2-one;(3E)-3-[[7-(cyclopropylamino)-5-(3-prop-2-enoxyphenyl)pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylidenepyrrolidin-2-one
CID 157090093
1-benzyl-N-[1-(4-methylphenyl)sulfonyl-5-[3-(2-pyrrolidin-1-ylethoxy)phenyl]pyrrolo[2,3-b]pyridin-3-yl]pyrazole-4-carboxamide;1-benzyl-N-[1-(4-methylphenyl)sulfonyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrrolo[2,3-b]pyridin-3-yl]pyrazole-4-carboxamide;1-benzyl-N-[3-[3-(2-pyrrolidin-1-ylethoxy)phenyl]-7H-cyclopenta[b]pyridin-5-yl]pyrazole-4-carboxamide
CID 157367109
1-benzyl-N-[1-(4-methylphenyl)sulfonyl-5-[3-(2-morpholin-4-ylethoxy)phenyl]pyrrolo[2,3-b]pyridin-3-yl]pyrazole-4-carboxamide;1-benzyl-N-[3-[3-(2-morpholin-4-ylethoxy)phenyl]-7H-cyclopenta[b]pyridin-5-yl]pyrazole-4-carboxamide
CID 157730110
1-amino-3-[3-[1-cyclopropyl-4-(pyrazolo[1,5-a]pyridin-7-ylmethylamino)pyrazolo[3,4-d]pyrimidin-6-yl]phenoxy]propan-2-ol;3-[[[6-[3-(3-amino-2-hydroxypropoxy)phenyl]-1-cyclopropylpyrazolo[3,4-d]pyrimidin-4-yl]amino]methyl]-4,6-dimethyl-1H-pyridin-2-one;1-[3-[1-tert-butyl-4-[methyl(oxan-4-yl)amino]pyrazolo[5,4-d]pyrimidin-6-yl]phenoxy]-3-(methylamino)propan-2-ol;1-[3-[1-tert-butyl-4-[(1-methylpyrazol-3-yl)methylamino]pyrazolo[3,4-d]pyrimidin-6-yl]phenoxy]-3-(methylamino)propan-2-ol;1-[3-[1-cyclopropyl-4-[(2,5-dimethylpyrazol-3-yl)methylamino]pyrazolo[3,4-d]pyrimidin-6-yl]phenoxy]-3-(methylamino)propan-2-ol
CID 158192993
1-benzyl-N-[1-(4-methylphenyl)sulfonyl-5-[3-(2-pyrrolidin-1-ylethoxy)phenyl]pyrrolo[2,3-b]pyridin-3-yl]pyrazole-4-carboxamide;1-benzyl-N-[3-[3-(2-pyrrolidin-1-ylethoxy)phenyl]-7H-cyclopenta[b]pyridin-5-yl]pyrazole-4-carboxamide
CID 160005681
1-benzyl-N-[5-(3-hydroxyphenyl)-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridin-3-yl]pyrazole-4-carboxamide;1-benzyl-N-[1-(4-methylphenyl)sulfonyl-5-[3-(2-morpholin-4-ylethoxy)phenyl]pyrrolo[2,3-b]pyridin-3-yl]pyrazole-4-carboxamide;1-benzyl-N-[3-[3-(2-morpholin-4-ylethoxy)phenyl]-7H-cyclopenta[b]pyridin-5-yl]pyrazole-4-carboxamide
CID 160120055
(3E)-3-[[7-(cyclopropylamino)-5-[3-(cyclopropylmethoxy)phenyl]pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylidenepyrrolidin-2-one;(3E)-3-[[7-(cyclopropylamino)-5-[3-[3-(dimethylamino)propoxy]phenyl]pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylidenepyrrolidin-2-one;(3E)-3-[[7-(cyclopropylamino)-5-(3-ethylsulfonylphenyl)pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylidenepyrrolidin-2-one;3-[7-(cyclopropylamino)-3-[(E)-(5-methylidene-2-oxopyrrolidin-3-ylidene)methyl]pyrazolo[1,5-a]pyrimidin-5-yl]benzonitrile;(3E)-3-[[7-(cyclopropylamino)-5-[3-(2-morpholin-4-ylethoxy)phenyl]pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylidenepyrrolidin-2-one;(3E)-3-[[7-(cyclopropylamino)-5-(3-prop-2-enoxyphenyl)pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylidenepyrrolidin-2-one
CID 160188921
N-[4-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)phenyl]-4-methoxybenzenesulfonamide;N-[4-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)phenyl]-3-methoxypropanamide;N-[4-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)phenyl]-1-methylimidazole-2-carboxamide;1-[4-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)phenyl]-3-propan-2-ylurea;1-(4-pyrazol-1-ylphenyl)pyrazolo[3,4-d]pyrimidin-4-amine
CID 160319418
(3E)-3-[[7-(cyclopropylamino)-5-[3-[3-(dimethylamino)propoxy]phenyl]pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylidenepyrrolidin-2-one;(3E)-3-[[7-(cyclopropylamino)-5-(3-ethylsulfonylphenyl)pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylidenepyrrolidin-2-one;3-[7-(cyclopropylamino)-3-[(E)-(5-methylidene-2-oxopyrrolidin-3-ylidene)methyl]pyrazolo[1,5-a]pyrimidin-5-yl]benzonitrile;(3E)-3-[[7-(cyclopropylamino)-5-[3-(2-morpholin-4-ylethoxy)phenyl]pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylidenepyrrolidin-2-one;(3E)-3-[[7-(cyclopropylamino)-5-(3-prop-2-enoxyphenyl)pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylidenepyrrolidin-2-one
CID 160728417
4-[[[7-(cyclopropylamino)-3-[(E)-(2-methylidene-5-oxopyrrolidin-3-ylidene)methyl]pyrazolo[1,5-a]pyrimidin-5-yl]amino]methyl]benzenesulfonamide;(4E)-4-[[7-(cyclopropylamino)-5-[[3-(2-methylimidazol-1-yl)phenyl]methylamino]pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylidenepyrrolidin-2-one;(4E)-4-[[7-(cyclopropylamino)-5-[(2-morpholin-4-yl-4-pyridinyl)methylamino]pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylidenepyrrolidin-2-one;(4E)-4-[[7-(cyclopropylamino)-5-(pyridin-4-ylmethylamino)pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylidenepyrrolidin-2-one
CID 160939074
3-(benzylamino)-N,N-diethyl-5-methyl-[1,2,4]triazolo[4,3-a]pyridine-6-sulfonamide;N-[(1S)-1-cyclohexylethyl]-6-piperidin-1-ylsulfonyl-[1,2,4]triazolo[1,5-a]pyridin-2-amine;3-(cyclopropylmethylamino)-N,N-diethyl-[1,2,4]triazolo[4,3-a]pyridine-6-sulfonamide;N,N-diethyl-3-[[(1R)-1-(4-methylphenyl)ethyl]amino]-[1,2,4]triazolo[4,3-a]pyridine-6-sulfonamide;N,N-diethyl-3-[(4-methylphenyl)methylamino]-[1,2,4]triazolo[4,3-a]pyridine-6-sulfonamide;N,N-diethyl-3-[(4-propan-2-yloxyphenyl)methylamino]-[1,2,4]triazolo[4,3-a]pyridine-6-sulfonamide
CID 161611369
(4Z)-4-[[5-[3-(butylsulfonylmethyl)phenyl]-7-(cyclopropylamino)pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylideneimidazolidin-2-one;(4Z)-4-[[7-(cyclopropylamino)-5-[3-(cyclopropylsulfonylmethyl)phenyl]pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylideneimidazolidin-2-one;(4E)-4-[[7-(cyclopropylamino)-5-(4-hydroxy-3,5-dimethylphenyl)pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylidenepyrrolidin-2-one;(4E)-4-[[7-(cyclopropylamino)-5-(3-methoxyphenyl)pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylidenepyrrolidin-2-one;N-[3-[7-(cyclopropylamino)-3-[(Z)-(5-methylidene-2-oxoimidazolidin-4-ylidene)methyl]pyrazolo[1,5-a]pyrimidin-5-yl]phenyl]-N-methylmethanesulfonamide
CID 161643904

Frequently Asked Questions

What is the IUPAC name of (4E)-4-[[7-(cyclopropylamino)-5-[[(1S)-1-(3-methoxyphenyl)ethyl]amino]pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylidenepyrrolidin-2-one;4-[[[7-(cyclopropylamino)-3-[(E)-(2-methylidene-5-oxopyrrolidin-3-ylidene)methyl]pyrazolo[1,5-a]pyrimidin-5-yl]amino]methyl]benzenesulfonamide;(4E)-4-[[7-(cyclopropylamino)-5-[[3-(2-methylimidazol-1-yl)phenyl]methylamino]pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylidenepyrrolidin-2-one;(4E)-4-[[7-(cyclopropylamino)-5-[1-(3-propan-2-yloxyphenyl)ethylamino]pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylidenepyrrolidin-2-one;(4E)-4-[[7-(cyclopropylamino)-5-(pyridin-4-ylmethylamino)pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylidenepyrrolidin-2-one?
The IUPAC name of (4E)-4-[[7-(cyclopropylamino)-5-[[(1S)-1-(3-methoxyphenyl)ethyl]amino]pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylidenepyrrolidin-2-one;4-[[[7-(cyclopropylamino)-3-[(E)-(2-methylidene-5-oxopyrrolidin-3-ylidene)methyl]pyrazolo[1,5-a]pyrimidin-5-yl]amino]methyl]benzenesulfonamide;(4E)-4-[[7-(cyclopropylamino)-5-[[3-(2-methylimidazol-1-yl)phenyl]methylamino]pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylidenepyrrolidin-2-one;(4E)-4-[[7-(cyclopropylamino)-5-[1-(3-propan-2-yloxyphenyl)ethylamino]pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylidenepyrrolidin-2-one;(4E)-4-[[7-(cyclopropylamino)-5-(pyridin-4-ylmethylamino)pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylidenepyrrolidin-2-one (CID 157453058) is (4E)-4-[[7-(cyclopropylamino)-5-[[(1S)-1-(3-methoxyphenyl)ethyl]amino]pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylidenepyrrolidin-2-one;4-[[[7-(cyclopropylamino)-3-[(E)-(2-methylidene-5-oxopyrrolidin-3-ylidene)methyl]pyrazolo[1,5-a]pyrimidin-5-yl]amino]methyl]benzenesulfonamide;(4E)-4-[[7-(cyclopropylamino)-5-[[3-(2-methylimidazol-1-yl)phenyl]methylamino]pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylidenepyrrolidin-2-one;(4E)-4-[[7-(cyclopropylamino)-5-[1-(3-propan-2-yloxyphenyl)ethylamino]pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylidenepyrrolidin-2-one;(4E)-4-[[7-(cyclopropylamino)-5-(pyridin-4-ylmethylamino)pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylidenepyrrolidin-2-one.
What is the SMILES notation for (4E)-4-[[7-(cyclopropylamino)-5-[[(1S)-1-(3-methoxyphenyl)ethyl]amino]pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylidenepyrrolidin-2-one;4-[[[7-(cyclopropylamino)-3-[(E)-(2-methylidene-5-oxopyrrolidin-3-ylidene)methyl]pyrazolo[1,5-a]pyrimidin-5-yl]amino]methyl]benzenesulfonamide;(4E)-4-[[7-(cyclopropylamino)-5-[[3-(2-methylimidazol-1-yl)phenyl]methylamino]pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylidenepyrrolidin-2-one;(4E)-4-[[7-(cyclopropylamino)-5-[1-(3-propan-2-yloxyphenyl)ethylamino]pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylidenepyrrolidin-2-one;(4E)-4-[[7-(cyclopropylamino)-5-(pyridin-4-ylmethylamino)pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylidenepyrrolidin-2-one?
The canonical SMILES for (4E)-4-[[7-(cyclopropylamino)-5-[[(1S)-1-(3-methoxyphenyl)ethyl]amino]pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylidenepyrrolidin-2-one;4-[[[7-(cyclopropylamino)-3-[(E)-(2-methylidene-5-oxopyrrolidin-3-ylidene)methyl]pyrazolo[1,5-a]pyrimidin-5-yl]amino]methyl]benzenesulfonamide;(4E)-4-[[7-(cyclopropylamino)-5-[[3-(2-methylimidazol-1-yl)phenyl]methylamino]pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylidenepyrrolidin-2-one;(4E)-4-[[7-(cyclopropylamino)-5-[1-(3-propan-2-yloxyphenyl)ethylamino]pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylidenepyrrolidin-2-one;(4E)-4-[[7-(cyclopropylamino)-5-(pyridin-4-ylmethylamino)pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylidenepyrrolidin-2-one is C=C1NC(=O)C/C1=C\c1cnn2c(NC3CC3)cc(NC(C)c3cccc(OC(C)C)c3)nc12.C=C1NC(=O)C/C1=C\c1cnn2c(NC3CC3)cc(NCc3ccc(S(N)(=O)=O)cc3)nc12.C=C1NC(=O)C/C1=C\c1cnn2c(NC3CC3)cc(NCc3cccc(-n4ccnc4C)c3)nc12.C=C1NC(=O)C/C1=C\c1cnn2c(NC3CC3)cc(NCc3ccncc3)nc12.C=C1NC(=O)C/C1=C\c1cnn2c(NC3CC3)cc(N[C@@H](C)c3cccc(OC)c3)nc12.
What is the InChIKey of (4E)-4-[[7-(cyclopropylamino)-5-[[(1S)-1-(3-methoxyphenyl)ethyl]amino]pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylidenepyrrolidin-2-one;4-[[[7-(cyclopropylamino)-3-[(E)-(2-methylidene-5-oxopyrrolidin-3-ylidene)methyl]pyrazolo[1,5-a]pyrimidin-5-yl]amino]methyl]benzenesulfonamide;(4E)-4-[[7-(cyclopropylamino)-5-[[3-(2-methylimidazol-1-yl)phenyl]methylamino]pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylidenepyrrolidin-2-one;(4E)-4-[[7-(cyclopropylamino)-5-[1-(3-propan-2-yloxyphenyl)ethylamino]pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylidenepyrrolidin-2-one;(4E)-4-[[7-(cyclopropylamino)-5-(pyridin-4-ylmethylamino)pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylidenepyrrolidin-2-one?
The InChIKey is BTAFJWJZZHEZSN-ZQOIFXEKSA-N. The full InChI is InChI=1S/C26H26N8O.C26H30N6O2.C24H26N6O2.C22H23N7O3S.C21H21N7O/c1-16-19(12-25(35)30-16)11-20-15-29-34-24(31-21-6-7-21)13-23(32-26(20)34)28-14-18-4-3-5-22(10-18)33-9-8-27-17(33)2;1-15(2)34-22-7-5-6-18(11-22)16(3)28-23-13-24(30-21-8-9-21)32-26(31-23)20(14-27-32)10-19-12-25(33)29-17(19)4;1-14(16-5-4-6-20(10-16)32-3)26-21-12-22(28-19-7-8-19)30-24(29-21)18(13-25-30)9-17-11-23(31)27-15(17)2;1-13-15(9-21(30)26-13)8-16-12-25-29-20(27-17-4-5-17)10-19(28-22(16)29)24-11-14-2-6-18(7-3-14)33(23,31)32;1-13-15(9-20(29)25-13)8-16-12-24-28-19(26-17-2-3-17)10-18(27-21(16)28)23-11-14-4-6-22-7-5-14/h3-5,8-11,13,15,21,31H,1,6-7,12,14H2,2H3,(H,28,32)(H,30,35);5-7,10-11,13-16,21,30H,4,8-9,12H2,1-3H3,(H,28,31)(H,29,33);4-6,9-10,12-14,19,28H,2,7-8,11H2,1,3H3,(H,26,29)(H,27,31);2-3,6-8,10,12,17,27H,1,4-5,9,11H2,(H,24,28)(H,26,30)(H2,23,31,32);4-8,10,12,17,26H,1-3,9,11H2,(H,23,27)(H,25,29)/b19-11+;19-10+;17-9+;2*15-8+/t;;14-;;/m..0../s1.
What are the key properties of (4E)-4-[[7-(cyclopropylamino)-5-[[(1S)-1-(3-methoxyphenyl)ethyl]amino]pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylidenepyrrolidin-2-one;4-[[[7-(cyclopropylamino)-3-[(E)-(2-methylidene-5-oxopyrrolidin-3-ylidene)methyl]pyrazolo[1,5-a]pyrimidin-5-yl]amino]methyl]benzenesulfonamide;(4E)-4-[[7-(cyclopropylamino)-5-[[3-(2-methylimidazol-1-yl)phenyl]methylamino]pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylidenepyrrolidin-2-one;(4E)-4-[[7-(cyclopropylamino)-5-[1-(3-propan-2-yloxyphenyl)ethylamino]pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylidenepyrrolidin-2-one;(4E)-4-[[7-(cyclopropylamino)-5-(pyridin-4-ylmethylamino)pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylidenepyrrolidin-2-one?
(4E)-4-[[7-(cyclopropylamino)-5-[[(1S)-1-(3-methoxyphenyl)ethyl]amino]pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylidenepyrrolidin-2-one;4-[[[7-(cyclopropylamino)-3-[(E)-(2-methylidene-5-oxopyrrolidin-3-ylidene)methyl]pyrazolo[1,5-a]pyrimidin-5-yl]amino]methyl]benzenesulfonamide;(4E)-4-[[7-(cyclopropylamino)-5-[[3-(2-methylimidazol-1-yl)phenyl]methylamino]pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylidenepyrrolidin-2-one;(4E)-4-[[7-(cyclopropylamino)-5-[1-(3-propan-2-yloxyphenyl)ethylamino]pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylidenepyrrolidin-2-one;(4E)-4-[[7-(cyclopropylamino)-5-(pyridin-4-ylmethylamino)pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylidenepyrrolidin-2-one has a molecular weight of 2208.61 g/mol, XLogP of 17.12, 35 rotatable bonds, 16 hydrogen bond donors, and 37 hydrogen bond acceptors.
Where does this data come from?
All data for (4E)-4-[[7-(cyclopropylamino)-5-[[(1S)-1-(3-methoxyphenyl)ethyl]amino]pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylidenepyrrolidin-2-one;4-[[[7-(cyclopropylamino)-3-[(E)-(2-methylidene-5-oxopyrrolidin-3-ylidene)methyl]pyrazolo[1,5-a]pyrimidin-5-yl]amino]methyl]benzenesulfonamide;(4E)-4-[[7-(cyclopropylamino)-5-[[3-(2-methylimidazol-1-yl)phenyl]methylamino]pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylidenepyrrolidin-2-one;(4E)-4-[[7-(cyclopropylamino)-5-[1-(3-propan-2-yloxyphenyl)ethylamino]pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylidenepyrrolidin-2-one;(4E)-4-[[7-(cyclopropylamino)-5-(pyridin-4-ylmethylamino)pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylidenepyrrolidin-2-one is sourced from PubChem (CID 157453058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).