(4Z)-4-[[5-[4-chloro-3-(trifluoromethyl)anilino]-7-(cyclopropylamino)pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylideneimidazolidin-2-one;(4Z)-4-[[7-(cyclopropylamino)-5-(3,5-difluoroanilino)pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylideneimidazolidin-2-one;(4Z)-4-[[7-(cyclopropylamino)-5-[3-[1-(2,6-dimethylmorpholin-4-yl)ethyl]anilino]pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylideneimidazolidin-2-one;(4Z)-4-[[7-(cyclopropylamino)-5-(3-methoxyanilino)pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylideneimidazolidin-2-one;(4Z)-4-[[7-(cyclopropylamino)-5-(pyridin-2-ylamino)pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylideneimidazolidin-2-one

C109H107ClF5N37O7 — CID 162169435

IUPAC(4Z)-4-[[5-[4-chloro-3-(trifluoromethyl)anilino]-7-(cyclopropylamino)pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylideneimidazolidin-2-one;(4Z)-4-[[7-(cyclopropylamino)-5-(3,5-difluoroanilino)pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylideneimidazolidin-2-one;(4Z)-4-[[7-(cyclopropylamino)-5-[3-[1-(2,6-dimethylmorpholin-4-yl)ethyl]anilino]pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylideneimidazolidin-2-one;(4Z)-4-[[7-(cyclopropylamino)-5-(3-methoxyanilino)pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylideneimidazolidin-2-one;(4Z)-4-[[7-(cyclopropylamino)-5-(pyridin-2-ylamino)pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylideneimidazolidin-2-one
SMILESC=c1[nH]c(=O)[nH]/c1=C\c1cnn2c(NC3CC3)cc(Nc3cc(F)cc(F)c3)nc12.C=c1[nH]c(=O)[nH]/c1=C\c1cnn2c(NC3CC3)cc(Nc3ccc(Cl)c(C(F)(F)F)c3)nc12.C=c1[nH]c(=O)[nH]/c1=C\c1cnn2c(NC3CC3)cc(Nc3cccc(C(C)N4CC(C)OC(C)C4)c3)nc12.C=c1[nH]c(=O)[nH]/c1=C\c1cnn2c(NC3CC3)cc(Nc3cccc(OC)c3)nc12.C=c1[nH]c(=O)[nH]/c1=C\c1cnn2c(NC3CC3)cc(Nc3ccccn3)nc12
InChIInChI=1S/C28H34N8O2.C21H17ClF3N7O.C21H21N7O2.C20H17F2N7O.C19H18N8O/c1-16-14-35(15-17(2)38-16)19(4)20-6-5-7-23(10-20)31-25-12-26(32-22-8-9-22)36-27(34-25)21(13-29-36)11-24-18(3)30-28(37)33-24;1-10-16(30-20(33)27-10)6-11-9-26-32-18(29-12-2-3-12)8-17(31-19(11)32)28-13-4-5-15(22)14(7-13)21(23,24)25;1-12-17(26-21(29)23-12)8-13-11-22-28-19(25-14-6-7-14)10-18(27-20(13)28)24-15-4-3-5-16(9-15)30-2;1-10-16(27-20(30)24-10)4-11-9-23-29-18(26-14-2-3-14)8-17(28-19(11)29)25-15-6-12(21)5-13(22)7-15;1-11-14(24-19(28)22-11)8-12-10-21-27-17(23-13-5-6-13)9-16(26-18(12)27)25-15-4-2-3-7-20-15/h5-7,10-13,16-17,19,22,32H,3,8-9,14-15H2,1-2,4H3,(H,31,34)(H2,30,33,37);4-9,12,29H,1-3H2,(H,28,31)(H2,27,30,33);3-5,8-11,14,25H,1,6-7H2,2H3,(H,24,27)(H2,23,26,29);4-9,14,26H,1-3H2,(H,25,28)(H2,24,27,30);2-4,7-10,13,23H,1,5-6H2,(H,20,25,26)(H2,22,24,28)/b24-11-;16-6-;17-8-;16-4-;14-8-
InChIKeyZNOVEODLQIJHGZ-XVQLUVETSA-N
MW2177.75 g/mol
LogP9.04
Rot. Bonds28

About (4Z)-4-[[5-[4-chloro-3-(trifluoromethyl)anilino]-7-(cyclopropylamino)pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylideneimidazolidin-2-one;(4Z)-4-[[7-(cyclopropylamino)-5-(3,5-difluoroanilino)pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylideneimidazolidin-2-one;(4Z)-4-[[7-(cyclopropylamino)-5-[3-[1-(2,6-dimethylmorpholin-4-yl)ethyl]anilino]pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylideneimidazolidin-2-one;(4Z)-4-[[7-(cyclopropylamino)-5-(3-methoxyanilino)pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylideneimidazolidin-2-one;(4Z)-4-[[7-(cyclopropylamino)-5-(pyridin-2-ylamino)pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylideneimidazolidin-2-one

(4Z)-4-[[5-[4-chloro-3-(trifluoromethyl)anilino]-7-(cyclopropylamino)pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylideneimidazolidin-2-one;(4Z)-4-[[7-(cyclopropylamino)-5-(3,5-difluoroanilino)pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylideneimidazolidin-2-one;(4Z)-4-[[7-(cyclopropylamino)-5-[3-[1-(2,6-dimethylmorpholin-4-yl)ethyl]anilino]pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylideneimidazolidin-2-one;(4Z)-4-[[7-(cyclopropylamino)-5-(3-methoxyanilino)pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylideneimidazolidin-2-one;(4Z)-4-[[7-(cyclopropylamino)-5-(pyridin-2-ylamino)pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylideneimidazolidin-2-one (PubChem CID 162169435) has the molecular formula C109H107ClF5N37O7 and a molecular weight of 2177.75 g/mol. Its IUPAC name is (4Z)-4-[[5-[4-chloro-3-(trifluoromethyl)anilino]-7-(cyclopropylamino)pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylideneimidazolidin-2-one;(4Z)-4-[[7-(cyclopropylamino)-5-(3,5-difluoroanilino)pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylideneimidazolidin-2-one;(4Z)-4-[[7-(cyclopropylamino)-5-[3-[1-(2,6-dimethylmorpholin-4-yl)ethyl]anilino]pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylideneimidazolidin-2-one;(4Z)-4-[[7-(cyclopropylamino)-5-(3-methoxyanilino)pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylideneimidazolidin-2-one;(4Z)-4-[[7-(cyclopropylamino)-5-(pyridin-2-ylamino)pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylideneimidazolidin-2-one.

Molecular Properties

Compound Name(4Z)-4-[[5-[4-chloro-3-(trifluoromethyl)anilino]-7-(cyclopropylamino)pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylideneimidazolidin-2-one;(4Z)-4-[[7-(cyclopropylamino)-5-(3,5-difluoroanilino)pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylideneimidazolidin-2-one;(4Z)-4-[[7-(cyclopropylamino)-5-[3-[1-(2,6-dimethylmorpholin-4-yl)ethyl]anilino]pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylideneimidazolidin-2-one;(4Z)-4-[[7-(cyclopropylamino)-5-(3-methoxyanilino)pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylideneimidazolidin-2-one;(4Z)-4-[[7-(cyclopropylamino)-5-(pyridin-2-ylamino)pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylideneimidazolidin-2-one
PubChem CID162169435
Molecular FormulaC109H107ClF5N37O7
Molecular Weight2177.75 g/mol
Exact Mass2175.88
IUPAC Name(4Z)-4-[[5-[4-chloro-3-(trifluoromethyl)anilino]-7-(cyclopropylamino)pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylideneimidazolidin-2-one;(4Z)-4-[[7-(cyclopropylamino)-5-(3,5-difluoroanilino)pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylideneimidazolidin-2-one;(4Z)-4-[[7-(cyclopropylamino)-5-[3-[1-(2,6-dimethylmorpholin-4-yl)ethyl]anilino]pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylideneimidazolidin-2-one;(4Z)-4-[[7-(cyclopropylamino)-5-(3-methoxyanilino)pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylideneimidazolidin-2-one;(4Z)-4-[[7-(cyclopropylamino)-5-(pyridin-2-ylamino)pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylideneimidazolidin-2-one
SMILESC=c1[nH]c(=O)[nH]/c1=C\c1cnn2c(NC3CC3)cc(Nc3cc(F)cc(F)c3)nc12.C=c1[nH]c(=O)[nH]/c1=C\c1cnn2c(NC3CC3)cc(Nc3ccc(Cl)c(C(F)(F)F)c3)nc12.C=c1[nH]c(=O)[nH]/c1=C\c1cnn2c(NC3CC3)cc(Nc3cccc(C(C)N4CC(C)OC(C)C4)c3)nc12.C=c1[nH]c(=O)[nH]/c1=C\c1cnn2c(NC3CC3)cc(Nc3cccc(OC)c3)nc12.C=c1[nH]c(=O)[nH]/c1=C\c1cnn2c(NC3CC3)cc(Nc3ccccn3)nc12
InChIInChI=1S/C28H34N8O2.C21H17ClF3N7O.C21H21N7O2.C20H17F2N7O.C19H18N8O/c1-16-14-35(15-17(2)38-16)19(4)20-6-5-7-23(10-20)31-25-12-26(32-22-8-9-22)36-27(34-25)21(13-29-36)11-24-18(3)30-28(37)33-24;1-10-16(30-20(33)27-10)6-11-9-26-32-18(29-12-2-3-12)8-17(31-19(11)32)28-13-4-5-15(22)14(7-13)21(23,24)25;1-12-17(26-21(29)23-12)8-13-11-22-28-19(25-14-6-7-14)10-18(27-20(13)28)24-15-4-3-5-16(9-15)30-2;1-10-16(27-20(30)24-10)4-11-9-23-29-18(26-14-2-3-14)8-17(28-19(11)29)25-15-6-12(21)5-13(22)7-15;1-11-14(24-19(28)22-11)8-12-10-21-27-17(23-13-5-6-13)9-16(26-18(12)27)25-15-4-2-3-7-20-15/h5-7,10-13,16-17,19,22,32H,3,8-9,14-15H2,1-2,4H3,(H,31,34)(H2,30,33,37);4-9,12,29H,1-3H2,(H,28,31)(H2,27,30,33);3-5,8-11,14,25H,1,6-7H2,2H3,(H,24,27)(H2,23,26,29);4-9,14,26H,1-3H2,(H,25,28)(H2,24,27,30);2-4,7-10,13,23H,1,5-6H2,(H,20,25,26)(H2,22,24,28)/b24-11-;16-6-;17-8-;16-4-;14-8-
InChIKeyZNOVEODLQIJHGZ-XVQLUVETSA-N
XLogP9.04
TPSA549.09 Ų
H-Bond Donors20
H-Bond Acceptors34
Rotatable Bonds28
Heavy Atoms159
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002177.75
LogP ≤ 59.04
H-Bond Donors ≤ 520
H-Bond Acceptors ≤ 1034

Analyze (4Z)-4-[[5-[4-chloro-3-(trifluoromethyl)anilino]-7-(cyclopropylamino)pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylideneimidazolidin-2-one;(4Z)-4-[[7-(cyclopropylamino)-5-(3,5-difluoroanilino)pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylideneimidazolidin-2-one;(4Z)-4-[[7-(cyclopropylamino)-5-[3-[1-(2,6-dimethylmorpholin-4-yl)ethyl]anilino]pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylideneimidazolidin-2-one;(4Z)-4-[[7-(cyclopropylamino)-5-(3-methoxyanilino)pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylideneimidazolidin-2-one;(4Z)-4-[[7-(cyclopropylamino)-5-(pyridin-2-ylamino)pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylideneimidazolidin-2-one with MolForge

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Related Compounds

1-[4-(4-chloro-3-methylphenyl)piperazin-1-yl]-2-[3-(1H-imidazol-2-yl)pyrazolo[5,4-b]pyridin-1-yl]ethanone;1-[4-[4-chloro-3-(trifluoromethoxy)phenyl]piperazin-1-yl]-2-[3-(1H-imidazol-2-yl)pyrazolo[5,4-b]pyridin-1-yl]ethanone;1-[4-[4-chloro-3-(trifluoromethyl)phenyl]piperazin-1-yl]-2-[3-(1H-imidazol-2-yl)pyrazolo[5,4-b]pyridin-1-yl]ethanone
CID 157645784
4-[2-[4-(6-Chloropyrimidin-4-yl)pyrazol-1-yl]ethyl]morpholine;1-[4-chloro-3-(trifluoromethyl)phenyl]-3-[3-[6-[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]pyrimidin-4-yl]oxyphenyl]urea;3-[6-[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]pyrimidin-4-yl]oxyaniline
CID 158534385
5-(2-Chloropyrimidin-4-yl)oxy-2,4-difluoroaniline;1-[4-chloro-3-(trifluoromethyl)phenyl]-3-[2,4-difluoro-5-[2-(1-methylpyrazol-4-yl)pyrimidin-4-yl]oxyphenyl]urea;2,4-dichloropyrimidine;2,4-difluoro-5-[2-(1-methylpyrazol-4-yl)pyrimidin-4-yl]oxyaniline
CID 158544665
5-amino-N-[(2,4-difluorophenyl)methyl]-8-(2,6-dimethyl-4-pyridinyl)-7-phenyl-[1,2,4]triazolo[1,5-c]pyrimidine-2-carboxamide;8-(2H-benzotriazol-5-yl)-7-(4-fluoro-2-methoxyphenyl)-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine;8-(2H-benzotriazol-5-yl)-7-(2-methoxyphenyl)-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine;7-(2-chlorophenyl)-8-(2,6-dimethyl-4-pyridinyl)-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine;2-[(cyclopropylamino)methyl]-8-(2,6-dimethyl-4-pyridinyl)-7-phenyl-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine;8-(2,6-dimethyl-4-pyridinyl)-2-[(2-methoxyphenyl)methyl]-7-phenyl-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine;8-(2,6-dimethyl-4-pyridinyl)-7-(2-methoxyphenyl)-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine;2-[(2-methoxyphenyl)methyl]-8-[2-methyl-6-(trifluoromethyl)-4-pyridinyl]-7-phenyl-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine
CID 158687702
(4Z)-4-[[5-(3-chloroanilino)-7-(cyclopropylamino)pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylideneimidazolidin-2-one;(4Z)-4-[[7-(cyclopropylamino)-5-(3-fluoroanilino)pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylideneimidazolidin-2-one;(5Z)-5-[[7-(cyclopropylamino)-5-(2-fluoro-4-pyridinyl)pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-2-methylidene-1,3-thiazolidin-4-one;3-[[7-(cyclopropylamino)-3-[(E)-(5-methylidene-2-oxopyrrolidin-3-ylidene)methyl]pyrazolo[1,5-a]pyrimidin-5-yl]methyl]benzonitrile;(4Z)-4-[[7-(cyclopropylamino)-5-[3-(trifluoromethoxy)anilino]pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylideneimidazolidin-2-one
CID 158802441
1-[4-(4-chloro-3-methoxyphenyl)piperazin-1-yl]-2-[3-(1H-imidazol-2-yl)pyrazolo[5,4-b]pyridin-1-yl]ethanone;1-[4-[4-chloro-3-(trifluoromethoxy)phenyl]piperazin-1-yl]-2-[3-(1H-imidazol-2-yl)pyrazolo[5,4-b]pyridin-1-yl]ethanone;1-[4-[4-chloro-3-(trifluoromethyl)phenyl]piperazin-1-yl]-2-[3-(1H-imidazol-2-yl)pyrazolo[5,4-b]pyridin-1-yl]ethanone
CID 159334057
1-[4-chloro-3-(trifluoromethyl)phenyl]-3-[3-fluoro-4-(1H-pyrazolo[5,4-d]pyrimidin-4-yloxy)phenyl]urea;1-(2,3-dimethylphenyl)-3-[4-(1H-pyrazolo[5,4-d]pyrimidin-4-yloxy)phenyl]urea;1-[3-fluoro-4-(1H-pyrazolo[5,4-d]pyrimidin-4-yloxy)phenyl]-3-[4-(trifluoromethyl)phenyl]urea;1-(3-methoxyphenyl)-3-[4-(1H-pyrazolo[5,4-d]pyrimidin-4-yloxy)phenyl]urea;1-(3-propan-2-ylphenyl)-3-[4-(1H-pyrazolo[5,4-d]pyrimidin-4-yloxy)phenyl]urea;1-[4-(1H-pyrazolo[5,4-d]pyrimidin-4-yloxy)phenyl]-3-[3-(trifluoromethoxy)phenyl]urea;1-[4-(1H-pyrazolo[5,4-d]pyrimidin-4-yloxy)phenyl]-3-[3-(trifluoromethyl)phenyl]urea
CID 159463405
N-(2-chloro-4-pyridinyl)-5-(4-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine;[4-[[5-(3,5-difluorophenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-2-pyridinyl]methanol;(3R)-1-[2-[(2-methyl-4-pyridinyl)amino]-[1,2,4]triazolo[1,5-a]pyridin-5-yl]piperidin-3-ol;N-(2-methyl-4-pyridinyl)-5-[2-(trifluoromethyl)-4-pyridinyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine;[4-[[5-[2-(trifluoromethyl)-4-pyridinyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-2-pyridinyl]methanol
CID 159735655
N-[4-[3-(3-chloro-2-pyridinyl)-1,2,4-triazol-1-yl]phenyl]-4-(3-fluoro-5-morpholin-4-ylphenyl)pyrimidin-2-amine;4-(3-fluoro-5-morpholin-4-ylphenyl)-N-[4-[3-(5-fluoro-2-pyridinyl)-1,2,4-triazol-1-yl]phenyl]pyrimidin-2-amine;4-(3-fluoro-5-morpholin-4-ylphenyl)-N-[4-[3-(4-methoxy-2-pyridinyl)-1,2,4-triazol-1-yl]phenyl]pyrimidin-2-amine;4-(3-fluoro-5-morpholin-4-ylphenyl)-N-[4-[3-[5-(trifluoromethyl)-2-pyridinyl]-1,2,4-triazol-1-yl]phenyl]pyrimidin-2-amine;1-[1-[4-[[4-(3-morpholin-4-ylphenyl)pyrimidin-2-yl]amino]phenyl]-1,2,4-triazol-3-yl]piperidin-4-ol
CID 159833374
(4E)-4-[[5-(3-chloroanilino)-7-(cyclopropylamino)pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylidenepyrrolidin-2-one;(4E)-4-[[7-(cyclopropylamino)-5-(3-fluoroanilino)pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylidenepyrrolidin-2-one;(5Z)-5-[[7-(cyclopropylamino)-5-(2-fluoro-4-pyridinyl)pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-2-methylidene-1,3-thiazolidin-4-one;3-[[7-(cyclopropylamino)-3-[(E)-(5-methylidene-2-oxopyrrolidin-3-ylidene)methyl]pyrazolo[1,5-a]pyrimidin-5-yl]methyl]benzonitrile;(4Z)-4-[[7-(cyclopropylamino)-5-[3-(trifluoromethoxy)anilino]pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylideneimidazolidin-2-one
CID 159859187
(3E)-3-[[5-(3-chloroanilino)-7-(cyclopropylamino)pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]pyrrolidine-2,5-dione;(3E)-3-[[5-(4-chloroanilino)-7-(cyclopropylamino)pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]pyrrolidine-2,5-dione;(3E)-3-[[7-(cyclopropylamino)-5-(dimethylamino)pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]pyrrolidine-2,5-dione;(3E)-3-[[7-(cyclopropylamino)-5-(3-methoxyanilino)pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]pyrrolidine-2,5-dione;(3E)-3-[[7-(cyclopropylamino)-5-[3-(trifluoromethyl)anilino]pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]pyrrolidine-2,5-dione
CID 160735507
3-chloro-4-[7-(cyclopropylamino)-3-[(E)-(2-methylidene-5-oxopyrrolidin-3-ylidene)methyl]pyrazolo[1,5-a]pyrimidin-5-yl]oxybenzonitrile;(4E)-4-[[5-(5-chloro-2-fluoroanilino)-7-(cyclopropylamino)pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylidenepyrrolidin-2-one;(4E)-4-[[5-[2-chloro-3-(2-morpholin-4-ylethoxy)anilino]-7-(cyclopropylamino)pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylidenepyrrolidin-2-one;(4E)-4-[[5-[2-chloro-3-(2-pyrrolidin-1-ylethoxy)anilino]-7-(cyclopropylamino)pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylidenepyrrolidin-2-one;(4E)-4-[[7-(cyclopropylamino)-5-[3-(trifluoromethyl)anilino]pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylidenepyrrolidin-2-one
CID 160891825

Frequently Asked Questions

What is the IUPAC name of (4Z)-4-[[5-[4-chloro-3-(trifluoromethyl)anilino]-7-(cyclopropylamino)pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylideneimidazolidin-2-one;(4Z)-4-[[7-(cyclopropylamino)-5-(3,5-difluoroanilino)pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylideneimidazolidin-2-one;(4Z)-4-[[7-(cyclopropylamino)-5-[3-[1-(2,6-dimethylmorpholin-4-yl)ethyl]anilino]pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylideneimidazolidin-2-one;(4Z)-4-[[7-(cyclopropylamino)-5-(3-methoxyanilino)pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylideneimidazolidin-2-one;(4Z)-4-[[7-(cyclopropylamino)-5-(pyridin-2-ylamino)pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylideneimidazolidin-2-one?
The IUPAC name of (4Z)-4-[[5-[4-chloro-3-(trifluoromethyl)anilino]-7-(cyclopropylamino)pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylideneimidazolidin-2-one;(4Z)-4-[[7-(cyclopropylamino)-5-(3,5-difluoroanilino)pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylideneimidazolidin-2-one;(4Z)-4-[[7-(cyclopropylamino)-5-[3-[1-(2,6-dimethylmorpholin-4-yl)ethyl]anilino]pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylideneimidazolidin-2-one;(4Z)-4-[[7-(cyclopropylamino)-5-(3-methoxyanilino)pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylideneimidazolidin-2-one;(4Z)-4-[[7-(cyclopropylamino)-5-(pyridin-2-ylamino)pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylideneimidazolidin-2-one (CID 162169435) is (4Z)-4-[[5-[4-chloro-3-(trifluoromethyl)anilino]-7-(cyclopropylamino)pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylideneimidazolidin-2-one;(4Z)-4-[[7-(cyclopropylamino)-5-(3,5-difluoroanilino)pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylideneimidazolidin-2-one;(4Z)-4-[[7-(cyclopropylamino)-5-[3-[1-(2,6-dimethylmorpholin-4-yl)ethyl]anilino]pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylideneimidazolidin-2-one;(4Z)-4-[[7-(cyclopropylamino)-5-(3-methoxyanilino)pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylideneimidazolidin-2-one;(4Z)-4-[[7-(cyclopropylamino)-5-(pyridin-2-ylamino)pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylideneimidazolidin-2-one.
What is the SMILES notation for (4Z)-4-[[5-[4-chloro-3-(trifluoromethyl)anilino]-7-(cyclopropylamino)pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylideneimidazolidin-2-one;(4Z)-4-[[7-(cyclopropylamino)-5-(3,5-difluoroanilino)pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylideneimidazolidin-2-one;(4Z)-4-[[7-(cyclopropylamino)-5-[3-[1-(2,6-dimethylmorpholin-4-yl)ethyl]anilino]pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylideneimidazolidin-2-one;(4Z)-4-[[7-(cyclopropylamino)-5-(3-methoxyanilino)pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylideneimidazolidin-2-one;(4Z)-4-[[7-(cyclopropylamino)-5-(pyridin-2-ylamino)pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylideneimidazolidin-2-one?
The canonical SMILES for (4Z)-4-[[5-[4-chloro-3-(trifluoromethyl)anilino]-7-(cyclopropylamino)pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylideneimidazolidin-2-one;(4Z)-4-[[7-(cyclopropylamino)-5-(3,5-difluoroanilino)pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylideneimidazolidin-2-one;(4Z)-4-[[7-(cyclopropylamino)-5-[3-[1-(2,6-dimethylmorpholin-4-yl)ethyl]anilino]pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylideneimidazolidin-2-one;(4Z)-4-[[7-(cyclopropylamino)-5-(3-methoxyanilino)pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylideneimidazolidin-2-one;(4Z)-4-[[7-(cyclopropylamino)-5-(pyridin-2-ylamino)pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylideneimidazolidin-2-one is C=c1[nH]c(=O)[nH]/c1=C\c1cnn2c(NC3CC3)cc(Nc3cc(F)cc(F)c3)nc12.C=c1[nH]c(=O)[nH]/c1=C\c1cnn2c(NC3CC3)cc(Nc3ccc(Cl)c(C(F)(F)F)c3)nc12.C=c1[nH]c(=O)[nH]/c1=C\c1cnn2c(NC3CC3)cc(Nc3cccc(C(C)N4CC(C)OC(C)C4)c3)nc12.C=c1[nH]c(=O)[nH]/c1=C\c1cnn2c(NC3CC3)cc(Nc3cccc(OC)c3)nc12.C=c1[nH]c(=O)[nH]/c1=C\c1cnn2c(NC3CC3)cc(Nc3ccccn3)nc12.
What is the InChIKey of (4Z)-4-[[5-[4-chloro-3-(trifluoromethyl)anilino]-7-(cyclopropylamino)pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylideneimidazolidin-2-one;(4Z)-4-[[7-(cyclopropylamino)-5-(3,5-difluoroanilino)pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylideneimidazolidin-2-one;(4Z)-4-[[7-(cyclopropylamino)-5-[3-[1-(2,6-dimethylmorpholin-4-yl)ethyl]anilino]pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylideneimidazolidin-2-one;(4Z)-4-[[7-(cyclopropylamino)-5-(3-methoxyanilino)pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylideneimidazolidin-2-one;(4Z)-4-[[7-(cyclopropylamino)-5-(pyridin-2-ylamino)pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylideneimidazolidin-2-one?
The InChIKey is ZNOVEODLQIJHGZ-XVQLUVETSA-N. The full InChI is InChI=1S/C28H34N8O2.C21H17ClF3N7O.C21H21N7O2.C20H17F2N7O.C19H18N8O/c1-16-14-35(15-17(2)38-16)19(4)20-6-5-7-23(10-20)31-25-12-26(32-22-8-9-22)36-27(34-25)21(13-29-36)11-24-18(3)30-28(37)33-24;1-10-16(30-20(33)27-10)6-11-9-26-32-18(29-12-2-3-12)8-17(31-19(11)32)28-13-4-5-15(22)14(7-13)21(23,24)25;1-12-17(26-21(29)23-12)8-13-11-22-28-19(25-14-6-7-14)10-18(27-20(13)28)24-15-4-3-5-16(9-15)30-2;1-10-16(27-20(30)24-10)4-11-9-23-29-18(26-14-2-3-14)8-17(28-19(11)29)25-15-6-12(21)5-13(22)7-15;1-11-14(24-19(28)22-11)8-12-10-21-27-17(23-13-5-6-13)9-16(26-18(12)27)25-15-4-2-3-7-20-15/h5-7,10-13,16-17,19,22,32H,3,8-9,14-15H2,1-2,4H3,(H,31,34)(H2,30,33,37);4-9,12,29H,1-3H2,(H,28,31)(H2,27,30,33);3-5,8-11,14,25H,1,6-7H2,2H3,(H,24,27)(H2,23,26,29);4-9,14,26H,1-3H2,(H,25,28)(H2,24,27,30);2-4,7-10,13,23H,1,5-6H2,(H,20,25,26)(H2,22,24,28)/b24-11-;16-6-;17-8-;16-4-;14-8-.
What are the key properties of (4Z)-4-[[5-[4-chloro-3-(trifluoromethyl)anilino]-7-(cyclopropylamino)pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylideneimidazolidin-2-one;(4Z)-4-[[7-(cyclopropylamino)-5-(3,5-difluoroanilino)pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylideneimidazolidin-2-one;(4Z)-4-[[7-(cyclopropylamino)-5-[3-[1-(2,6-dimethylmorpholin-4-yl)ethyl]anilino]pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylideneimidazolidin-2-one;(4Z)-4-[[7-(cyclopropylamino)-5-(3-methoxyanilino)pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylideneimidazolidin-2-one;(4Z)-4-[[7-(cyclopropylamino)-5-(pyridin-2-ylamino)pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylideneimidazolidin-2-one?
(4Z)-4-[[5-[4-chloro-3-(trifluoromethyl)anilino]-7-(cyclopropylamino)pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylideneimidazolidin-2-one;(4Z)-4-[[7-(cyclopropylamino)-5-(3,5-difluoroanilino)pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylideneimidazolidin-2-one;(4Z)-4-[[7-(cyclopropylamino)-5-[3-[1-(2,6-dimethylmorpholin-4-yl)ethyl]anilino]pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylideneimidazolidin-2-one;(4Z)-4-[[7-(cyclopropylamino)-5-(3-methoxyanilino)pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylideneimidazolidin-2-one;(4Z)-4-[[7-(cyclopropylamino)-5-(pyridin-2-ylamino)pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylideneimidazolidin-2-one has a molecular weight of 2177.75 g/mol, XLogP of 9.04, 28 rotatable bonds, 20 hydrogen bond donors, and 34 hydrogen bond acceptors.
Where does this data come from?
All data for (4Z)-4-[[5-[4-chloro-3-(trifluoromethyl)anilino]-7-(cyclopropylamino)pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylideneimidazolidin-2-one;(4Z)-4-[[7-(cyclopropylamino)-5-(3,5-difluoroanilino)pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylideneimidazolidin-2-one;(4Z)-4-[[7-(cyclopropylamino)-5-[3-[1-(2,6-dimethylmorpholin-4-yl)ethyl]anilino]pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylideneimidazolidin-2-one;(4Z)-4-[[7-(cyclopropylamino)-5-(3-methoxyanilino)pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylideneimidazolidin-2-one;(4Z)-4-[[7-(cyclopropylamino)-5-(pyridin-2-ylamino)pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylideneimidazolidin-2-one is sourced from PubChem (CID 162169435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).