(4E)-4-[[7-(cyclopropylamino)-5-(4-fluoroanilino)pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylidenepyrrolidin-2-one;(4E)-4-[[7-(cyclopropylamino)-5-[(6-fluoro-1,3-benzothiazol-2-yl)amino]pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylidenepyrrolidin-2-one;(4E)-4-[[7-(cyclopropylamino)-5-[3-fluoro-5-(trifluoromethyl)anilino]pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylidenepyrrolidin-2-one;(4E)-4-[[7-(cyclopropylamino)-5-(3-methylanilino)pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylidenepyrrolidin-2-one;(4E)-4-[[7-(cyclopropylamino)-5-(pyridin-3-ylamino)pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylidenepyrrolidin-2-one

C107H96F6N32O5S — CID 162188107

IUPAC(4E)-4-[[7-(cyclopropylamino)-5-(4-fluoroanilino)pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylidenepyrrolidin-2-one;(4E)-4-[[7-(cyclopropylamino)-5-[(6-fluoro-1,3-benzothiazol-2-yl)amino]pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylidenepyrrolidin-2-one;(4E)-4-[[7-(cyclopropylamino)-5-[3-fluoro-5-(trifluoromethyl)anilino]pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylidenepyrrolidin-2-one;(4E)-4-[[7-(cyclopropylamino)-5-(3-methylanilino)pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylidenepyrrolidin-2-one;(4E)-4-[[7-(cyclopropylamino)-5-(pyridin-3-ylamino)pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylidenepyrrolidin-2-one
SMILESC=C1NC(=O)C/C1=C\c1cnn2c(NC3CC3)cc(Nc3cc(F)cc(C(F)(F)F)c3)nc12.C=C1NC(=O)C/C1=C\c1cnn2c(NC3CC3)cc(Nc3ccc(F)cc3)nc12.C=C1NC(=O)C/C1=C\c1cnn2c(NC3CC3)cc(Nc3cccc(C)c3)nc12.C=C1NC(=O)C/C1=C\c1cnn2c(NC3CC3)cc(Nc3cccnc3)nc12.C=C1NC(=O)C/C1=C\c1cnn2c(NC3CC3)cc(Nc3nc4ccc(F)cc4s3)nc12
InChIInChI=1S/C22H18F4N6O.C22H18FN7OS.C22H22N6O.C21H19FN6O.C20H19N7O/c1-11-12(5-20(33)28-11)4-13-10-27-32-19(30-16-2-3-16)9-18(31-21(13)32)29-17-7-14(22(24,25)26)6-15(23)8-17;1-11-12(7-20(31)25-11)6-13-10-24-30-19(26-15-3-4-15)9-18(28-21(13)30)29-22-27-16-5-2-14(23)8-17(16)32-22;1-13-4-3-5-18(8-13)25-19-11-20(26-17-6-7-17)28-22(27-19)16(12-23-28)9-15-10-21(29)24-14(15)2;1-12-13(9-20(29)24-12)8-14-11-23-28-19(26-17-6-7-17)10-18(27-21(14)28)25-16-4-2-15(22)3-5-16;1-12-13(8-19(28)23-12)7-14-10-22-27-18(25-15-4-5-15)9-17(26-20(14)27)24-16-3-2-6-21-11-16/h4,6-10,16,30H,1-3,5H2,(H,28,33)(H,29,31);2,5-6,8-10,15,26H,1,3-4,7H2,(H,25,31)(H,27,28,29);3-5,8-9,11-12,17,26H,2,6-7,10H2,1H3,(H,24,29)(H,25,27);2-5,8,10-11,17,26H,1,6-7,9H2,(H,24,29)(H,25,27);2-3,6-7,9-11,15,25H,1,4-5,8H2,(H,23,28)(H,24,26)/b12-4+;12-6+;15-9+;13-8+;13-7+
InChIKeyZPXTWALLKHTVCV-VJMMZGIZSA-N
MW2056.22 g/mol
LogP19.07
Rot. Bonds25

About (4E)-4-[[7-(cyclopropylamino)-5-(4-fluoroanilino)pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylidenepyrrolidin-2-one;(4E)-4-[[7-(cyclopropylamino)-5-[(6-fluoro-1,3-benzothiazol-2-yl)amino]pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylidenepyrrolidin-2-one;(4E)-4-[[7-(cyclopropylamino)-5-[3-fluoro-5-(trifluoromethyl)anilino]pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylidenepyrrolidin-2-one;(4E)-4-[[7-(cyclopropylamino)-5-(3-methylanilino)pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylidenepyrrolidin-2-one;(4E)-4-[[7-(cyclopropylamino)-5-(pyridin-3-ylamino)pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylidenepyrrolidin-2-one

(4E)-4-[[7-(cyclopropylamino)-5-(4-fluoroanilino)pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylidenepyrrolidin-2-one;(4E)-4-[[7-(cyclopropylamino)-5-[(6-fluoro-1,3-benzothiazol-2-yl)amino]pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylidenepyrrolidin-2-one;(4E)-4-[[7-(cyclopropylamino)-5-[3-fluoro-5-(trifluoromethyl)anilino]pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylidenepyrrolidin-2-one;(4E)-4-[[7-(cyclopropylamino)-5-(3-methylanilino)pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylidenepyrrolidin-2-one;(4E)-4-[[7-(cyclopropylamino)-5-(pyridin-3-ylamino)pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylidenepyrrolidin-2-one (PubChem CID 162188107) has the molecular formula C107H96F6N32O5S and a molecular weight of 2056.22 g/mol. Its IUPAC name is (4E)-4-[[7-(cyclopropylamino)-5-(4-fluoroanilino)pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylidenepyrrolidin-2-one;(4E)-4-[[7-(cyclopropylamino)-5-[(6-fluoro-1,3-benzothiazol-2-yl)amino]pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylidenepyrrolidin-2-one;(4E)-4-[[7-(cyclopropylamino)-5-[3-fluoro-5-(trifluoromethyl)anilino]pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylidenepyrrolidin-2-one;(4E)-4-[[7-(cyclopropylamino)-5-(3-methylanilino)pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylidenepyrrolidin-2-one;(4E)-4-[[7-(cyclopropylamino)-5-(pyridin-3-ylamino)pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylidenepyrrolidin-2-one.

Molecular Properties

Compound Name(4E)-4-[[7-(cyclopropylamino)-5-(4-fluoroanilino)pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylidenepyrrolidin-2-one;(4E)-4-[[7-(cyclopropylamino)-5-[(6-fluoro-1,3-benzothiazol-2-yl)amino]pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylidenepyrrolidin-2-one;(4E)-4-[[7-(cyclopropylamino)-5-[3-fluoro-5-(trifluoromethyl)anilino]pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylidenepyrrolidin-2-one;(4E)-4-[[7-(cyclopropylamino)-5-(3-methylanilino)pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylidenepyrrolidin-2-one;(4E)-4-[[7-(cyclopropylamino)-5-(pyridin-3-ylamino)pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylidenepyrrolidin-2-one
PubChem CID162188107
Molecular FormulaC107H96F6N32O5S
Molecular Weight2056.22 g/mol
Exact Mass2054.79
IUPAC Name(4E)-4-[[7-(cyclopropylamino)-5-(4-fluoroanilino)pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylidenepyrrolidin-2-one;(4E)-4-[[7-(cyclopropylamino)-5-[(6-fluoro-1,3-benzothiazol-2-yl)amino]pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylidenepyrrolidin-2-one;(4E)-4-[[7-(cyclopropylamino)-5-[3-fluoro-5-(trifluoromethyl)anilino]pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylidenepyrrolidin-2-one;(4E)-4-[[7-(cyclopropylamino)-5-(3-methylanilino)pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylidenepyrrolidin-2-one;(4E)-4-[[7-(cyclopropylamino)-5-(pyridin-3-ylamino)pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylidenepyrrolidin-2-one
SMILESC=C1NC(=O)C/C1=C\c1cnn2c(NC3CC3)cc(Nc3cc(F)cc(C(F)(F)F)c3)nc12.C=C1NC(=O)C/C1=C\c1cnn2c(NC3CC3)cc(Nc3ccc(F)cc3)nc12.C=C1NC(=O)C/C1=C\c1cnn2c(NC3CC3)cc(Nc3cccc(C)c3)nc12.C=C1NC(=O)C/C1=C\c1cnn2c(NC3CC3)cc(Nc3cccnc3)nc12.C=C1NC(=O)C/C1=C\c1cnn2c(NC3CC3)cc(Nc3nc4ccc(F)cc4s3)nc12
InChIInChI=1S/C22H18F4N6O.C22H18FN7OS.C22H22N6O.C21H19FN6O.C20H19N7O/c1-11-12(5-20(33)28-11)4-13-10-27-32-19(30-16-2-3-16)9-18(31-21(13)32)29-17-7-14(22(24,25)26)6-15(23)8-17;1-11-12(7-20(31)25-11)6-13-10-24-30-19(26-15-3-4-15)9-18(28-21(13)30)29-22-27-16-5-2-14(23)8-17(16)32-22;1-13-4-3-5-18(8-13)25-19-11-20(26-17-6-7-17)28-22(27-19)16(12-23-28)9-15-10-21(29)24-14(15)2;1-12-13(9-20(29)24-12)8-14-11-23-28-19(26-17-6-7-17)10-18(27-21(14)28)25-16-4-2-15(22)3-5-16;1-12-13(8-19(28)23-12)7-14-10-22-27-18(25-15-4-5-15)9-17(26-20(14)27)24-16-3-2-6-21-11-16/h4,6-10,16,30H,1-3,5H2,(H,28,33)(H,29,31);2,5-6,8-10,15,26H,1,3-4,7H2,(H,25,31)(H,27,28,29);3-5,8-9,11-12,17,26H,2,6-7,10H2,1H3,(H,24,29)(H,25,27);2-5,8,10-11,17,26H,1,6-7,9H2,(H,24,29)(H,25,27);2-3,6-7,9-11,15,25H,1,4-5,8H2,(H,23,28)(H,24,26)/b12-4+;12-6+;15-9+;13-8+;13-7+
InChIKeyZPXTWALLKHTVCV-VJMMZGIZSA-N
XLogP19.07
TPSA442.53 Ų
H-Bond Donors15
H-Bond Acceptors33
Rotatable Bonds25
Heavy Atoms151
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002056.22
LogP ≤ 519.07
H-Bond Donors ≤ 515
H-Bond Acceptors ≤ 1033

Analyze (4E)-4-[[7-(cyclopropylamino)-5-(4-fluoroanilino)pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylidenepyrrolidin-2-one;(4E)-4-[[7-(cyclopropylamino)-5-[(6-fluoro-1,3-benzothiazol-2-yl)amino]pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylidenepyrrolidin-2-one;(4E)-4-[[7-(cyclopropylamino)-5-[3-fluoro-5-(trifluoromethyl)anilino]pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylidenepyrrolidin-2-one;(4E)-4-[[7-(cyclopropylamino)-5-(3-methylanilino)pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylidenepyrrolidin-2-one;(4E)-4-[[7-(cyclopropylamino)-5-(pyridin-3-ylamino)pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylidenepyrrolidin-2-one with MolForge

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Related Compounds

1-[1-(cyclopropylmethyl)-3-(3-pyridin-2-ylanilino)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[1-methyl-3-[3-(1-methylpyrazol-4-yl)anilino]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[1-methyl-3-[3-(1H-pyrazol-4-yl)anilino]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[3-[3-(1-methylpyrazol-4-yl)anilino]-1-(2,2,2-trifluoroethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[1-methyl-3-[3-(1,3-thiazol-5-yl)anilino]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone
CID 158109605
6-(1-cyclopropylpyrazol-4-yl)-3-[difluoro-(6-fluoro-2H-indol-5-yl)methyl]-[1,2,4]triazolo[4,3-b]pyridazine;5-[[6-(1-cyclopropylpyrazol-4-yl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]-difluoromethyl]-6-fluoro-N-(2-morpholin-4-ylethyl)indazole-2-carboxamide;5-[[6-(1-cyclopropylpyrazol-4-yl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]-difluoromethyl]-3H-indol-2-amine;6-[[6-(1-cyclopropylpyrazol-4-yl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]-5-fluoro-1,3-benzothiazol-2-amine
CID 158430657
tris(3,5-dimethylpyridin-2-amine);4,5-dimethylpyridin-2-amine;N,5-dimethylpyridin-2-amine;5,6-dimethylpyridin-2-amine;4,5-dimethyl-1,3-thiazol-2-amine;N,5-dimethyl-1,3-thiazol-2-amine;3-fluoro-5-methylpyridin-2-amine;4-fluoro-5-methylpyridin-2-amine;4-fluoro-5-methylpyrimidin-2-amine;5-methylpyrazin-2-amine;6-methylpyridazin-3-amine;2-methylpyridin-3-amine;2-methylpyridin-4-amine;4-methylpyridin-2-amine;5-methylpyridin-2-amine;5-methylpyridin-3-amine;6-methylpyridin-3-amine;N-(5-methyl-2-pyridinyl)acetamide;2-methylpyrimidin-5-amine;5-methylpyrimidin-2-amine;5-methyl-1,3-thiazol-2-amine;5-methyl-4-(trifluoromethyl)pyrimidin-2-amine;N,N,5-trimethyl-1,3-thiazol-2-amine
CID 158565640
N-[4-[4-(3,3-difluoropiperidin-1-yl)-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]sulfanylphenyl]-3,3,3-trifluoropropanamide;N-[4-[4-(3,3-difluoropyrrolidin-1-yl)-6-[(5-methyl-1,3-thiazol-2-yl)amino]pyrimidin-2-yl]sulfanylphenyl]-3,3,3-trifluoropropanamide;N-[4-[4-[(3R)-3-(dimethylamino)pyrrolidin-1-yl]-6-[(5-methyl-1,3-thiazol-2-yl)amino]pyrimidin-2-yl]sulfanylphenyl]cyclopropanecarboxamide;N-[4-[4-[(5-methyl-1H-pyrazol-3-yl)amino]-6-[(3S)-3-(propan-2-ylamino)pyrrolidin-1-yl]pyrimidin-2-yl]sulfanylphenyl]propanamide;molecular hydrogen
CID 158969693
N-[4-[2-(cyclopropanecarbonylamino)-[1,3]thiazolo[4,5-b]pyridin-7-yl]cyclohexyl]-2-fluoro-2-methylcyclopropane-1-carboxamide;N-[4-[2-(cyclopropanecarbonylamino)-[1,2,4]triazolo[1,5-a]pyridin-5-yl]cyclohexyl]-2,2-difluorocyclopropane-1-carboxamide;N-[4-[2-(cyclopropanecarbonylamino)-[1,2,4]triazolo[1,5-a]pyridin-5-yl]cyclohexyl]-1-fluorocyclopropane-1-carboxamide;N-[5-[1-(3,3-difluorocyclobutanecarbonyl)pyrrolidin-3-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide;N-[5-[1-(2,2-difluorocyclopropanecarbonyl)pyrrolidin-3-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide
CID 160281889
tris(3,5-dimethylpyridin-2-amine);4,5-dimethylpyridin-2-amine;N,5-dimethylpyridin-2-amine;5,6-dimethylpyridin-2-amine;4,5-dimethyl-1,3-thiazol-2-amine;N,5-dimethyl-1,3-thiazol-2-amine;3-fluoro-5-methylpyridin-2-amine;4-fluoro-5-methylpyridin-2-amine;4-fluoro-5-methylpyrimidin-2-amine;5-methylpyrazin-2-amine;6-methylpyridazin-3-amine;2-methylpyridin-3-amine;2-methylpyridin-4-amine;4-methylpyridin-2-amine;5-methylpyridin-2-amine;5-methylpyridin-3-amine;6-methylpyridin-3-amine;N-(5-methyl-2-pyridinyl)acetamide;2-methylpyrimidin-5-amine;5-methylpyrimidin-2-amine;4-methyl-1,3-thiazol-2-amine;5-methyl-1,3-thiazol-2-amine;5-methyl-4-(trifluoromethyl)pyrimidin-2-amine;N,N,5-trimethyl-1,3-thiazol-2-amine
CID 160308173
CID 160725837
CID 160725837
2-[4-[7-(cyclopropylamino)-6-methyl-3-[(E)-(2-methylidene-5-oxopyrrolidin-3-ylidene)methyl]pyrazolo[1,5-a]pyrimidin-5-yl]piperazin-1-yl]pyridine-3-carbonitrile;(4E)-4-[[7-(cyclopropylamino)-6-methyl-5-(4-pyridin-2-ylpiperazin-1-yl)pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylidenepyrrolidin-2-one;(5Z)-5-[[7-(cyclopropylamino)-6-methyl-5-(4-pyridin-2-ylpiperazin-1-yl)pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-4-methylidene-1,3-thiazolidin-2-one;(4E)-4-[[7-(cyclopropylamino)-5-[4-[4-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylidenepyrrolidin-2-one;(4E)-4-[[7-(cyclopropylamino)-5-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylidenepyrrolidin-2-one
CID 161117812
6-(1-cyclopropylpyrazol-4-yl)-3-[difluoro-(6-fluoro-2H-indol-5-yl)methyl]-[1,2,4]triazolo[4,3-b]pyridazine;6-(1-cyclopropylpyrazol-4-yl)-3-[difluoro-(6-fluoro-2-methylindazol-5-yl)methyl]-[1,2,4]triazolo[4,3-a]pyrimidine;6-(1-cyclopropylpyrazol-4-yl)-3-[difluoro-(6-fluoro-2-methylindazol-5-yl)methyl]-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole;6-(1-cyclopropylpyrazol-4-yl)-3-[difluoro-(2-methyl-3H-indol-5-yl)methyl]-[1,2,4]triazolo[4,3-b]pyridazine;5-[[6-(1-cyclopropylpyrazol-4-yl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]-difluoromethyl]-6-fluoro-N-(2-morpholin-4-ylethyl)indazole-2-carboxamide;6-[[6-(1-cyclopropylpyrazol-4-yl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]-5-fluoro-1,3-benzothiazol-2-amine
CID 161823263
tris(3,5-dimethylpyridin-2-amine);4,5-dimethylpyridin-2-amine;N,5-dimethylpyridin-2-amine;5,6-dimethylpyridin-2-amine;bis(4,5-dimethyl-1,3-thiazol-2-amine);N,5-dimethyl-1,3-thiazol-2-amine;3-fluoro-5-methylpyridin-2-amine;4-fluoro-5-methylpyridin-2-amine;4-fluoro-5-methylpyrimidin-2-amine;5-methylpyrazin-2-amine;6-methylpyridazin-3-amine;2-methylpyridin-3-amine;2-methylpyridin-4-amine;4-methylpyridin-2-amine;5-methylpyridin-2-amine;5-methylpyridin-3-amine;6-methylpyridin-3-amine;N-(5-methyl-2-pyridinyl)acetamide;2-methylpyrimidin-5-amine;5-methylpyrimidin-2-amine;5-methyl-1,3,4-thiadiazol-2-amine;4-methyl-1,3-thiazol-2-amine;5-methyl-1,3-thiazol-2-amine;4-methylthiophen-2-amine;5-methylthiophen-2-amine;5-methyl-4-(trifluoromethyl)pyrimidin-2-amine;N,N,5-trimethyl-1,3-thiazol-2-amine
CID 161831359
8-[(1R)-1-(1,3-benzothiazol-5-yl)ethyl]-3-(2,6-dimethyl-4-pyridinyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione;8-[(1S)-1-(1,3-benzothiazol-5-yl)ethyl]-3-(2,6-dimethyl-4-pyridinyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione;8-[(1R)-1-(1,3-benzothiazol-5-yl)ethyl]-3-(6-methyl-3-pyridinyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione;N-[5-[(1R)-1-[2,4-dioxo-3-[[6-(trifluoromethyl)-3-pyridinyl]methyl]-1,3,8-triazaspiro[4.5]decan-8-yl]ethyl]-1,3-thiazol-2-yl]acetamide;N-[5-[(1S)-1-[2,4-dioxo-3-[[6-(trifluoromethyl)-3-pyridinyl]methyl]-1,3,8-triazaspiro[4.5]decan-8-yl]ethyl]-1,3-thiazol-2-yl]acetamide
CID 161989779
2-(1,3-benzothiazol-4-yl)-N-(1-cyclopropyl-2,2,2-trifluoroethyl)-4-methylimidazo[1,5-a]pyrimidine-8-carboxamide;2-(2,1-benzothiazol-6-yl)-N-(1-cyclopropyl-2,2,2-trifluoroethyl)-4-methylimidazo[1,5-a]pyrimidine-8-carboxamide;2-[2-(cyanomethyl)phenyl]-N-(1-cyclopropyl-2,2,2-trifluoroethyl)-4-methylimidazo[1,5-a]pyrimidine-8-carboxamide;N-(1-cyclopropyl-2,2,2-trifluoroethyl)-2-(4-fluorophenyl)-4-methylimidazo[1,5-a]pyrimidine-8-carboxamide;N-(1-cyclopropyl-2,2,2-trifluoroethyl)-4-methyl-2-([1,2,4]triazolo[1,5-a]pyridin-5-yl)imidazo[1,5-a]pyrimidine-8-carboxamide;N-(1-cyclopropyl-2,2,2-trifluoroethyl)-4-methyl-2-([1,2,4]triazolo[4,3-a]pyridin-5-yl)imidazo[1,5-a]pyrimidine-8-carboxamide;N-(1-cyclopropyl-2,2,2-trifluoroethyl)-4-methyl-2-([1,2,4]triazolo[4,3-a]pyridin-6-yl)imidazo[1,5-a]pyrimidine-8-carboxamide
CID 162225416

Frequently Asked Questions

What is the IUPAC name of (4E)-4-[[7-(cyclopropylamino)-5-(4-fluoroanilino)pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylidenepyrrolidin-2-one;(4E)-4-[[7-(cyclopropylamino)-5-[(6-fluoro-1,3-benzothiazol-2-yl)amino]pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylidenepyrrolidin-2-one;(4E)-4-[[7-(cyclopropylamino)-5-[3-fluoro-5-(trifluoromethyl)anilino]pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylidenepyrrolidin-2-one;(4E)-4-[[7-(cyclopropylamino)-5-(3-methylanilino)pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylidenepyrrolidin-2-one;(4E)-4-[[7-(cyclopropylamino)-5-(pyridin-3-ylamino)pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylidenepyrrolidin-2-one?
The IUPAC name of (4E)-4-[[7-(cyclopropylamino)-5-(4-fluoroanilino)pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylidenepyrrolidin-2-one;(4E)-4-[[7-(cyclopropylamino)-5-[(6-fluoro-1,3-benzothiazol-2-yl)amino]pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylidenepyrrolidin-2-one;(4E)-4-[[7-(cyclopropylamino)-5-[3-fluoro-5-(trifluoromethyl)anilino]pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylidenepyrrolidin-2-one;(4E)-4-[[7-(cyclopropylamino)-5-(3-methylanilino)pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylidenepyrrolidin-2-one;(4E)-4-[[7-(cyclopropylamino)-5-(pyridin-3-ylamino)pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylidenepyrrolidin-2-one (CID 162188107) is (4E)-4-[[7-(cyclopropylamino)-5-(4-fluoroanilino)pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylidenepyrrolidin-2-one;(4E)-4-[[7-(cyclopropylamino)-5-[(6-fluoro-1,3-benzothiazol-2-yl)amino]pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylidenepyrrolidin-2-one;(4E)-4-[[7-(cyclopropylamino)-5-[3-fluoro-5-(trifluoromethyl)anilino]pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylidenepyrrolidin-2-one;(4E)-4-[[7-(cyclopropylamino)-5-(3-methylanilino)pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylidenepyrrolidin-2-one;(4E)-4-[[7-(cyclopropylamino)-5-(pyridin-3-ylamino)pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylidenepyrrolidin-2-one.
What is the SMILES notation for (4E)-4-[[7-(cyclopropylamino)-5-(4-fluoroanilino)pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylidenepyrrolidin-2-one;(4E)-4-[[7-(cyclopropylamino)-5-[(6-fluoro-1,3-benzothiazol-2-yl)amino]pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylidenepyrrolidin-2-one;(4E)-4-[[7-(cyclopropylamino)-5-[3-fluoro-5-(trifluoromethyl)anilino]pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylidenepyrrolidin-2-one;(4E)-4-[[7-(cyclopropylamino)-5-(3-methylanilino)pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylidenepyrrolidin-2-one;(4E)-4-[[7-(cyclopropylamino)-5-(pyridin-3-ylamino)pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylidenepyrrolidin-2-one?
The canonical SMILES for (4E)-4-[[7-(cyclopropylamino)-5-(4-fluoroanilino)pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylidenepyrrolidin-2-one;(4E)-4-[[7-(cyclopropylamino)-5-[(6-fluoro-1,3-benzothiazol-2-yl)amino]pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylidenepyrrolidin-2-one;(4E)-4-[[7-(cyclopropylamino)-5-[3-fluoro-5-(trifluoromethyl)anilino]pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylidenepyrrolidin-2-one;(4E)-4-[[7-(cyclopropylamino)-5-(3-methylanilino)pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylidenepyrrolidin-2-one;(4E)-4-[[7-(cyclopropylamino)-5-(pyridin-3-ylamino)pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylidenepyrrolidin-2-one is C=C1NC(=O)C/C1=C\c1cnn2c(NC3CC3)cc(Nc3cc(F)cc(C(F)(F)F)c3)nc12.C=C1NC(=O)C/C1=C\c1cnn2c(NC3CC3)cc(Nc3ccc(F)cc3)nc12.C=C1NC(=O)C/C1=C\c1cnn2c(NC3CC3)cc(Nc3cccc(C)c3)nc12.C=C1NC(=O)C/C1=C\c1cnn2c(NC3CC3)cc(Nc3cccnc3)nc12.C=C1NC(=O)C/C1=C\c1cnn2c(NC3CC3)cc(Nc3nc4ccc(F)cc4s3)nc12.
What is the InChIKey of (4E)-4-[[7-(cyclopropylamino)-5-(4-fluoroanilino)pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylidenepyrrolidin-2-one;(4E)-4-[[7-(cyclopropylamino)-5-[(6-fluoro-1,3-benzothiazol-2-yl)amino]pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylidenepyrrolidin-2-one;(4E)-4-[[7-(cyclopropylamino)-5-[3-fluoro-5-(trifluoromethyl)anilino]pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylidenepyrrolidin-2-one;(4E)-4-[[7-(cyclopropylamino)-5-(3-methylanilino)pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylidenepyrrolidin-2-one;(4E)-4-[[7-(cyclopropylamino)-5-(pyridin-3-ylamino)pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylidenepyrrolidin-2-one?
The InChIKey is ZPXTWALLKHTVCV-VJMMZGIZSA-N. The full InChI is InChI=1S/C22H18F4N6O.C22H18FN7OS.C22H22N6O.C21H19FN6O.C20H19N7O/c1-11-12(5-20(33)28-11)4-13-10-27-32-19(30-16-2-3-16)9-18(31-21(13)32)29-17-7-14(22(24,25)26)6-15(23)8-17;1-11-12(7-20(31)25-11)6-13-10-24-30-19(26-15-3-4-15)9-18(28-21(13)30)29-22-27-16-5-2-14(23)8-17(16)32-22;1-13-4-3-5-18(8-13)25-19-11-20(26-17-6-7-17)28-22(27-19)16(12-23-28)9-15-10-21(29)24-14(15)2;1-12-13(9-20(29)24-12)8-14-11-23-28-19(26-17-6-7-17)10-18(27-21(14)28)25-16-4-2-15(22)3-5-16;1-12-13(8-19(28)23-12)7-14-10-22-27-18(25-15-4-5-15)9-17(26-20(14)27)24-16-3-2-6-21-11-16/h4,6-10,16,30H,1-3,5H2,(H,28,33)(H,29,31);2,5-6,8-10,15,26H,1,3-4,7H2,(H,25,31)(H,27,28,29);3-5,8-9,11-12,17,26H,2,6-7,10H2,1H3,(H,24,29)(H,25,27);2-5,8,10-11,17,26H,1,6-7,9H2,(H,24,29)(H,25,27);2-3,6-7,9-11,15,25H,1,4-5,8H2,(H,23,28)(H,24,26)/b12-4+;12-6+;15-9+;13-8+;13-7+.
What are the key properties of (4E)-4-[[7-(cyclopropylamino)-5-(4-fluoroanilino)pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylidenepyrrolidin-2-one;(4E)-4-[[7-(cyclopropylamino)-5-[(6-fluoro-1,3-benzothiazol-2-yl)amino]pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylidenepyrrolidin-2-one;(4E)-4-[[7-(cyclopropylamino)-5-[3-fluoro-5-(trifluoromethyl)anilino]pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylidenepyrrolidin-2-one;(4E)-4-[[7-(cyclopropylamino)-5-(3-methylanilino)pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylidenepyrrolidin-2-one;(4E)-4-[[7-(cyclopropylamino)-5-(pyridin-3-ylamino)pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylidenepyrrolidin-2-one?
(4E)-4-[[7-(cyclopropylamino)-5-(4-fluoroanilino)pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylidenepyrrolidin-2-one;(4E)-4-[[7-(cyclopropylamino)-5-[(6-fluoro-1,3-benzothiazol-2-yl)amino]pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylidenepyrrolidin-2-one;(4E)-4-[[7-(cyclopropylamino)-5-[3-fluoro-5-(trifluoromethyl)anilino]pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylidenepyrrolidin-2-one;(4E)-4-[[7-(cyclopropylamino)-5-(3-methylanilino)pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylidenepyrrolidin-2-one;(4E)-4-[[7-(cyclopropylamino)-5-(pyridin-3-ylamino)pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylidenepyrrolidin-2-one has a molecular weight of 2056.22 g/mol, XLogP of 19.07, 25 rotatable bonds, 15 hydrogen bond donors, and 33 hydrogen bond acceptors.
Where does this data come from?
All data for (4E)-4-[[7-(cyclopropylamino)-5-(4-fluoroanilino)pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylidenepyrrolidin-2-one;(4E)-4-[[7-(cyclopropylamino)-5-[(6-fluoro-1,3-benzothiazol-2-yl)amino]pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylidenepyrrolidin-2-one;(4E)-4-[[7-(cyclopropylamino)-5-[3-fluoro-5-(trifluoromethyl)anilino]pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylidenepyrrolidin-2-one;(4E)-4-[[7-(cyclopropylamino)-5-(3-methylanilino)pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylidenepyrrolidin-2-one;(4E)-4-[[7-(cyclopropylamino)-5-(pyridin-3-ylamino)pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylidenepyrrolidin-2-one is sourced from PubChem (CID 162188107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).