(5Z)-5-[[5-(3-chloroanilino)pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-1-methyl-4-methylideneimidazolidin-2-one;(4E)-4-[[5-[3-(diethylaminomethyl)anilino]pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylidenepyrrolidin-2-one;(4E)-4-[[5-(4-methyl-1,4-diazepan-1-yl)pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylidenepyrrolidin-2-one;(5Z)-5-[[5-(4-methyl-1,4-diazepan-1-yl)pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-4-methylidene-1,3-thiazolidin-2-one;(4E)-5-methylidene-4-[[5-[3-(4-methylpiperazin-1-yl)anilino]pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]pyrrolidin-2-one;(4E)-5-methylidene-4-[[5-[3-(2-morpholin-4-ylethoxy)anilino]pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]pyrrolidin-2-one

C123H134ClN37O8S — CID 160731847

IUPAC(5Z)-5-[[5-(3-chloroanilino)pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-1-methyl-4-methylideneimidazolidin-2-one;(4E)-4-[[5-[3-(diethylaminomethyl)anilino]pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylidenepyrrolidin-2-one;(4E)-4-[[5-(4-methyl-1,4-diazepan-1-yl)pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylidenepyrrolidin-2-one;(5Z)-5-[[5-(4-methyl-1,4-diazepan-1-yl)pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-4-methylidene-1,3-thiazolidin-2-one;(4E)-5-methylidene-4-[[5-[3-(4-methylpiperazin-1-yl)anilino]pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]pyrrolidin-2-one;(4E)-5-methylidene-4-[[5-[3-(2-morpholin-4-ylethoxy)anilino]pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]pyrrolidin-2-one
SMILESC=C1NC(=O)C/C1=C\c1cnn2ccc(N3CCCN(C)CC3)nc12.C=C1NC(=O)C/C1=C\c1cnn2ccc(Nc3cccc(CN(CC)CC)c3)nc12.C=C1NC(=O)C/C1=C\c1cnn2ccc(Nc3cccc(N4CCN(C)CC4)c3)nc12.C=C1NC(=O)C/C1=C\c1cnn2ccc(Nc3cccc(OCCN4CCOCC4)c3)nc12.C=c1[nH]c(=O)n(C)/c1=C\c1cnn2ccc(Nc3cccc(Cl)c3)nc12.C=c1[nH]c(=O)s/c1=C\c1cnn2ccc(N3CCCN(C)CC3)nc12
InChIInChI=1S/C24H26N6O3.C23H25N7O.C23H26N6O.C18H15ClN6O.C18H22N6O.C17H20N6OS/c1-17-18(14-23(31)26-17)13-19-16-25-30-6-5-22(28-24(19)30)27-20-3-2-4-21(15-20)33-12-9-29-7-10-32-11-8-29;1-16-17(13-22(31)25-16)12-18-15-24-30-7-6-21(27-23(18)30)26-19-4-3-5-20(14-19)29-10-8-28(2)9-11-29;1-4-28(5-2)15-17-7-6-8-20(11-17)26-21-9-10-29-23(27-21)19(14-24-29)12-18-13-22(30)25-16(18)3;1-11-15(24(2)18(26)21-11)8-12-10-20-25-7-6-16(23-17(12)25)22-14-5-3-4-13(19)9-14;1-13-14(11-17(25)20-13)10-15-12-19-24-7-4-16(21-18(15)24)23-6-3-5-22(2)8-9-23;1-12-14(25-17(24)19-12)10-13-11-18-23-7-4-15(20-16(13)23)22-6-3-5-21(2)8-9-22/h2-6,13,15-16H,1,7-12,14H2,(H,26,31)(H,27,28);3-7,12,14-15H,1,8-11,13H2,2H3,(H,25,31)(H,26,27);6-12,14H,3-5,13,15H2,1-2H3,(H,25,30)(H,26,27);3-10H,1H2,2H3,(H,21,26)(H,22,23);4,7,10,12H,1,3,5-6,8-9,11H2,2H3,(H,20,25);4,7,10-11H,1,3,5-6,8-9H2,2H3,(H,19,24)/b18-13+;17-12+;18-12+;15-8-;14-10+;14-10-
InChIKeyRULHCMWVJNRSAC-USDJSGBTSA-N
MW2326.20 g/mol
LogP11.51
Rot. Bonds25

About (5Z)-5-[[5-(3-chloroanilino)pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-1-methyl-4-methylideneimidazolidin-2-one;(4E)-4-[[5-[3-(diethylaminomethyl)anilino]pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylidenepyrrolidin-2-one;(4E)-4-[[5-(4-methyl-1,4-diazepan-1-yl)pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylidenepyrrolidin-2-one;(5Z)-5-[[5-(4-methyl-1,4-diazepan-1-yl)pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-4-methylidene-1,3-thiazolidin-2-one;(4E)-5-methylidene-4-[[5-[3-(4-methylpiperazin-1-yl)anilino]pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]pyrrolidin-2-one;(4E)-5-methylidene-4-[[5-[3-(2-morpholin-4-ylethoxy)anilino]pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]pyrrolidin-2-one

(5Z)-5-[[5-(3-chloroanilino)pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-1-methyl-4-methylideneimidazolidin-2-one;(4E)-4-[[5-[3-(diethylaminomethyl)anilino]pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylidenepyrrolidin-2-one;(4E)-4-[[5-(4-methyl-1,4-diazepan-1-yl)pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylidenepyrrolidin-2-one;(5Z)-5-[[5-(4-methyl-1,4-diazepan-1-yl)pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-4-methylidene-1,3-thiazolidin-2-one;(4E)-5-methylidene-4-[[5-[3-(4-methylpiperazin-1-yl)anilino]pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]pyrrolidin-2-one;(4E)-5-methylidene-4-[[5-[3-(2-morpholin-4-ylethoxy)anilino]pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]pyrrolidin-2-one (PubChem CID 160731847) has the molecular formula C123H134ClN37O8S and a molecular weight of 2326.20 g/mol. Its IUPAC name is (5Z)-5-[[5-(3-chloroanilino)pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-1-methyl-4-methylideneimidazolidin-2-one;(4E)-4-[[5-[3-(diethylaminomethyl)anilino]pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylidenepyrrolidin-2-one;(4E)-4-[[5-(4-methyl-1,4-diazepan-1-yl)pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylidenepyrrolidin-2-one;(5Z)-5-[[5-(4-methyl-1,4-diazepan-1-yl)pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-4-methylidene-1,3-thiazolidin-2-one;(4E)-5-methylidene-4-[[5-[3-(4-methylpiperazin-1-yl)anilino]pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]pyrrolidin-2-one;(4E)-5-methylidene-4-[[5-[3-(2-morpholin-4-ylethoxy)anilino]pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]pyrrolidin-2-one.

Molecular Properties

Compound Name(5Z)-5-[[5-(3-chloroanilino)pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-1-methyl-4-methylideneimidazolidin-2-one;(4E)-4-[[5-[3-(diethylaminomethyl)anilino]pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylidenepyrrolidin-2-one;(4E)-4-[[5-(4-methyl-1,4-diazepan-1-yl)pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylidenepyrrolidin-2-one;(5Z)-5-[[5-(4-methyl-1,4-diazepan-1-yl)pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-4-methylidene-1,3-thiazolidin-2-one;(4E)-5-methylidene-4-[[5-[3-(4-methylpiperazin-1-yl)anilino]pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]pyrrolidin-2-one;(4E)-5-methylidene-4-[[5-[3-(2-morpholin-4-ylethoxy)anilino]pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]pyrrolidin-2-one
PubChem CID160731847
Molecular FormulaC123H134ClN37O8S
Molecular Weight2326.20 g/mol
Exact Mass2324.06
IUPAC Name(5Z)-5-[[5-(3-chloroanilino)pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-1-methyl-4-methylideneimidazolidin-2-one;(4E)-4-[[5-[3-(diethylaminomethyl)anilino]pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylidenepyrrolidin-2-one;(4E)-4-[[5-(4-methyl-1,4-diazepan-1-yl)pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylidenepyrrolidin-2-one;(5Z)-5-[[5-(4-methyl-1,4-diazepan-1-yl)pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-4-methylidene-1,3-thiazolidin-2-one;(4E)-5-methylidene-4-[[5-[3-(4-methylpiperazin-1-yl)anilino]pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]pyrrolidin-2-one;(4E)-5-methylidene-4-[[5-[3-(2-morpholin-4-ylethoxy)anilino]pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]pyrrolidin-2-one
SMILESC=C1NC(=O)C/C1=C\c1cnn2ccc(N3CCCN(C)CC3)nc12.C=C1NC(=O)C/C1=C\c1cnn2ccc(Nc3cccc(CN(CC)CC)c3)nc12.C=C1NC(=O)C/C1=C\c1cnn2ccc(Nc3cccc(N4CCN(C)CC4)c3)nc12.C=C1NC(=O)C/C1=C\c1cnn2ccc(Nc3cccc(OCCN4CCOCC4)c3)nc12.C=c1[nH]c(=O)n(C)/c1=C\c1cnn2ccc(Nc3cccc(Cl)c3)nc12.C=c1[nH]c(=O)s/c1=C\c1cnn2ccc(N3CCCN(C)CC3)nc12
InChIInChI=1S/C24H26N6O3.C23H25N7O.C23H26N6O.C18H15ClN6O.C18H22N6O.C17H20N6OS/c1-17-18(14-23(31)26-17)13-19-16-25-30-6-5-22(28-24(19)30)27-20-3-2-4-21(15-20)33-12-9-29-7-10-32-11-8-29;1-16-17(13-22(31)25-16)12-18-15-24-30-7-6-21(27-23(18)30)26-19-4-3-5-20(14-19)29-10-8-28(2)9-11-29;1-4-28(5-2)15-17-7-6-8-20(11-17)26-21-9-10-29-23(27-21)19(14-24-29)12-18-13-22(30)25-16(18)3;1-11-15(24(2)18(26)21-11)8-12-10-20-25-7-6-16(23-17(12)25)22-14-5-3-4-13(19)9-14;1-13-14(11-17(25)20-13)10-15-12-19-24-7-4-16(21-18(15)24)23-6-3-5-22(2)8-9-23;1-12-14(25-17(24)19-12)10-13-11-18-23-7-4-15(20-16(13)23)22-6-3-5-21(2)8-9-22/h2-6,13,15-16H,1,7-12,14H2,(H,26,31)(H,27,28);3-7,12,14-15H,1,8-11,13H2,2H3,(H,25,31)(H,26,27);6-12,14H,3-5,13,15H2,1-2H3,(H,25,30)(H,26,27);3-10H,1H2,2H3,(H,21,26)(H,22,23);4,7,10,12H,1,3,5-6,8-9,11H2,2H3,(H,20,25);4,7,10-11H,1,3,5-6,8-9H2,2H3,(H,19,24)/b18-13+;17-12+;18-12+;15-8-;14-10+;14-10-
InChIKeyRULHCMWVJNRSAC-USDJSGBTSA-N
XLogP11.51
TPSA460.69 Ų
H-Bond Donors10
H-Bond Acceptors40
Rotatable Bonds25
Heavy Atoms170
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002326.20
LogP ≤ 511.51
H-Bond Donors ≤ 510
H-Bond Acceptors ≤ 1040

Analyze (5Z)-5-[[5-(3-chloroanilino)pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-1-methyl-4-methylideneimidazolidin-2-one;(4E)-4-[[5-[3-(diethylaminomethyl)anilino]pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylidenepyrrolidin-2-one;(4E)-4-[[5-(4-methyl-1,4-diazepan-1-yl)pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylidenepyrrolidin-2-one;(5Z)-5-[[5-(4-methyl-1,4-diazepan-1-yl)pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-4-methylidene-1,3-thiazolidin-2-one;(4E)-5-methylidene-4-[[5-[3-(4-methylpiperazin-1-yl)anilino]pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]pyrrolidin-2-one;(4E)-5-methylidene-4-[[5-[3-(2-morpholin-4-ylethoxy)anilino]pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]pyrrolidin-2-one with MolForge

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Related Compounds

(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
(3E)-3-[[4-anilino-2-(4-methyl-1,4-diazepan-1-yl)pyrazolo[1,5-a][1,3,5]triazin-8-yl]methylidene]pyrrolidine-2,5-dione;(3E)-3-[[4-anilino-2-(1,4-oxazepan-4-yl)pyrazolo[1,5-a][1,3,5]triazin-8-yl]methylidene]pyrrolidine-2,5-dione;(3E)-3-[[4-anilino-2-(4-pyridin-2-ylpiperazin-1-yl)pyrazolo[1,5-a][1,3,5]triazin-8-yl]methylidene]pyrrolidine-2,5-dione;2-chloro-4-[4-(cyclopropylamino)-8-[(E)-(2,5-dioxopyrrolidin-3-ylidene)methyl]pyrazolo[1,5-a][1,3,5]triazin-2-yl]oxybenzonitrile
CID 157172865
(4E)-4-[[5-(2-chloro-5-methylanilino)-7-(cyclopropylamino)pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylidenepyrrolidin-2-one;(4E)-4-[[5-[2-chloro-4-(4-methylpiperazin-1-yl)anilino]-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-[4-(4-methylpiperazin-1-yl)anilino]pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylidenepyrrolidin-2-one
CID 157604058
tert-butyl N-[[4-[[7-(cyclopropylamino)-3-[(E)-(2-methylidene-5-oxopyrrolidin-3-ylidene)methyl]pyrazolo[1,5-a]pyrimidin-5-yl]amino]phenyl]methyl]carbamate;(4E)-4-[[5-(2-chloro-5-methylanilino)-7-(cyclopropylamino)pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylidenepyrrolidin-2-one;(4E)-4-[[5-(2-chloro-4-morpholin-4-ylanilino)-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-[[7-(cyclopropylamino)-5-[4-(4-ethylpiperazin-1-yl)anilino]pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylidenepyrrolidin-2-one
CID 158911784
3-(2-aminoethoxy)aniline;4-(3-aminophenoxy)-N-[5-chloro-7-[(4-methoxyphenyl)methyl-methylamino]pyrazolo[1,5-a]pyrimidin-3-yl]butanamide;5-chloro-7-N-[(4-methoxyphenyl)methyl]-7-N-methylpyrazolo[1,5-a]pyrimidine-3,7-diamine;18-[(4-methoxyphenyl)methyl-methylamino]-8-oxa-2,11,13,16,17,20-hexazatetracyclo[12.5.2.13,7.017,21]docosa-1(20),3(22),4,6,14(21),15,18-heptaen-12-one;18-(methylamino)-8-oxa-2,11,13,16,17,20-hexazatetracyclo[12.5.2.13,7.017,21]docosa-1(20),3(22),4,6,14(21),15,18-heptaen-12-one
CID 159307038
3-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)-1H-pyridazin-6-one;1-(4-chlorophenyl)pyrazolo[3,4-d]pyrimidin-4-amine;1-[6-(dimethylamino)pyridazin-3-yl]pyrazolo[3,4-d]pyrimidin-4-amine;1-[3-(1-fluoroethoxy)phenyl]pyrazolo[3,4-d]pyrimidin-4-amine;1-(3-methoxyphenyl)pyrazolo[3,4-d]pyrimidin-4-amine;1-(3-methylphenyl)pyrazolo[3,4-d]pyrimidin-4-amine;1-(6-morpholin-4-ylpyridazin-3-yl)pyrazolo[3,4-d]pyrimidin-4-amine;1-(5-propan-2-yloxy-2-pyridinyl)pyrazolo[3,4-d]pyrimidin-4-amine;1-pyridin-4-ylpyrazolo[3,4-d]pyrimidin-4-amine
CID 159613316
3-(2-aminoethoxy)aniline;4-(4-aminophenoxy)-N-[5-chloro-7-[(4-methoxyphenyl)methyl-methylamino]pyrazolo[1,5-a]pyrimidin-3-yl]butanamide;5-chloro-7-N-[(4-methoxyphenyl)methyl]-7-N-methylpyrazolo[1,5-a]pyrimidine-3,7-diamine;17-[(4-methoxyphenyl)methyl-methylamino]-2,10,12,15,16,19-hexazatetracyclo[11.5.2.13,7.016,20]henicosa-1(19),3,5,7(21),13(20),14,17-heptaen-11-one;17-(methylamino)-2,10,12,15,16,19-hexazatetracyclo[11.5.2.13,7.016,20]henicosa-1(19),3,5,7(21),13(20),14,17-heptaen-11-one
CID 160053505
(4E)-4-[[5-(4-chloroanilino)pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylidenepyrrolidin-2-one;(5Z)-5-[[5-(4-chloroanilino)pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-4-methylidene-1,3-thiazolidin-2-one;bis((4Z)-4-[[5-(2-fluorophenyl)pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylideneimidazolidin-2-one);(5Z)-5-[[5-(2-fluorophenyl)pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-4-methylidene-1,3-thiazolidin-2-one;(4E)-5-methylidene-4-[[5-(4-propan-2-yloxyanilino)pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]pyrrolidin-2-one
CID 160094197

Frequently Asked Questions

What is the IUPAC name of (5Z)-5-[[5-(3-chloroanilino)pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-1-methyl-4-methylideneimidazolidin-2-one;(4E)-4-[[5-[3-(diethylaminomethyl)anilino]pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylidenepyrrolidin-2-one;(4E)-4-[[5-(4-methyl-1,4-diazepan-1-yl)pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylidenepyrrolidin-2-one;(5Z)-5-[[5-(4-methyl-1,4-diazepan-1-yl)pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-4-methylidene-1,3-thiazolidin-2-one;(4E)-5-methylidene-4-[[5-[3-(4-methylpiperazin-1-yl)anilino]pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]pyrrolidin-2-one;(4E)-5-methylidene-4-[[5-[3-(2-morpholin-4-ylethoxy)anilino]pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]pyrrolidin-2-one?
The IUPAC name of (5Z)-5-[[5-(3-chloroanilino)pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-1-methyl-4-methylideneimidazolidin-2-one;(4E)-4-[[5-[3-(diethylaminomethyl)anilino]pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylidenepyrrolidin-2-one;(4E)-4-[[5-(4-methyl-1,4-diazepan-1-yl)pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylidenepyrrolidin-2-one;(5Z)-5-[[5-(4-methyl-1,4-diazepan-1-yl)pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-4-methylidene-1,3-thiazolidin-2-one;(4E)-5-methylidene-4-[[5-[3-(4-methylpiperazin-1-yl)anilino]pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]pyrrolidin-2-one;(4E)-5-methylidene-4-[[5-[3-(2-morpholin-4-ylethoxy)anilino]pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]pyrrolidin-2-one (CID 160731847) is (5Z)-5-[[5-(3-chloroanilino)pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-1-methyl-4-methylideneimidazolidin-2-one;(4E)-4-[[5-[3-(diethylaminomethyl)anilino]pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylidenepyrrolidin-2-one;(4E)-4-[[5-(4-methyl-1,4-diazepan-1-yl)pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylidenepyrrolidin-2-one;(5Z)-5-[[5-(4-methyl-1,4-diazepan-1-yl)pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-4-methylidene-1,3-thiazolidin-2-one;(4E)-5-methylidene-4-[[5-[3-(4-methylpiperazin-1-yl)anilino]pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]pyrrolidin-2-one;(4E)-5-methylidene-4-[[5-[3-(2-morpholin-4-ylethoxy)anilino]pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]pyrrolidin-2-one.
What is the SMILES notation for (5Z)-5-[[5-(3-chloroanilino)pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-1-methyl-4-methylideneimidazolidin-2-one;(4E)-4-[[5-[3-(diethylaminomethyl)anilino]pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylidenepyrrolidin-2-one;(4E)-4-[[5-(4-methyl-1,4-diazepan-1-yl)pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylidenepyrrolidin-2-one;(5Z)-5-[[5-(4-methyl-1,4-diazepan-1-yl)pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-4-methylidene-1,3-thiazolidin-2-one;(4E)-5-methylidene-4-[[5-[3-(4-methylpiperazin-1-yl)anilino]pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]pyrrolidin-2-one;(4E)-5-methylidene-4-[[5-[3-(2-morpholin-4-ylethoxy)anilino]pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]pyrrolidin-2-one?
The canonical SMILES for (5Z)-5-[[5-(3-chloroanilino)pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-1-methyl-4-methylideneimidazolidin-2-one;(4E)-4-[[5-[3-(diethylaminomethyl)anilino]pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylidenepyrrolidin-2-one;(4E)-4-[[5-(4-methyl-1,4-diazepan-1-yl)pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylidenepyrrolidin-2-one;(5Z)-5-[[5-(4-methyl-1,4-diazepan-1-yl)pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-4-methylidene-1,3-thiazolidin-2-one;(4E)-5-methylidene-4-[[5-[3-(4-methylpiperazin-1-yl)anilino]pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]pyrrolidin-2-one;(4E)-5-methylidene-4-[[5-[3-(2-morpholin-4-ylethoxy)anilino]pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]pyrrolidin-2-one is C=C1NC(=O)C/C1=C\c1cnn2ccc(N3CCCN(C)CC3)nc12.C=C1NC(=O)C/C1=C\c1cnn2ccc(Nc3cccc(CN(CC)CC)c3)nc12.C=C1NC(=O)C/C1=C\c1cnn2ccc(Nc3cccc(N4CCN(C)CC4)c3)nc12.C=C1NC(=O)C/C1=C\c1cnn2ccc(Nc3cccc(OCCN4CCOCC4)c3)nc12.C=c1[nH]c(=O)n(C)/c1=C\c1cnn2ccc(Nc3cccc(Cl)c3)nc12.C=c1[nH]c(=O)s/c1=C\c1cnn2ccc(N3CCCN(C)CC3)nc12.
What is the InChIKey of (5Z)-5-[[5-(3-chloroanilino)pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-1-methyl-4-methylideneimidazolidin-2-one;(4E)-4-[[5-[3-(diethylaminomethyl)anilino]pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylidenepyrrolidin-2-one;(4E)-4-[[5-(4-methyl-1,4-diazepan-1-yl)pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylidenepyrrolidin-2-one;(5Z)-5-[[5-(4-methyl-1,4-diazepan-1-yl)pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-4-methylidene-1,3-thiazolidin-2-one;(4E)-5-methylidene-4-[[5-[3-(4-methylpiperazin-1-yl)anilino]pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]pyrrolidin-2-one;(4E)-5-methylidene-4-[[5-[3-(2-morpholin-4-ylethoxy)anilino]pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]pyrrolidin-2-one?
The InChIKey is RULHCMWVJNRSAC-USDJSGBTSA-N. The full InChI is InChI=1S/C24H26N6O3.C23H25N7O.C23H26N6O.C18H15ClN6O.C18H22N6O.C17H20N6OS/c1-17-18(14-23(31)26-17)13-19-16-25-30-6-5-22(28-24(19)30)27-20-3-2-4-21(15-20)33-12-9-29-7-10-32-11-8-29;1-16-17(13-22(31)25-16)12-18-15-24-30-7-6-21(27-23(18)30)26-19-4-3-5-20(14-19)29-10-8-28(2)9-11-29;1-4-28(5-2)15-17-7-6-8-20(11-17)26-21-9-10-29-23(27-21)19(14-24-29)12-18-13-22(30)25-16(18)3;1-11-15(24(2)18(26)21-11)8-12-10-20-25-7-6-16(23-17(12)25)22-14-5-3-4-13(19)9-14;1-13-14(11-17(25)20-13)10-15-12-19-24-7-4-16(21-18(15)24)23-6-3-5-22(2)8-9-23;1-12-14(25-17(24)19-12)10-13-11-18-23-7-4-15(20-16(13)23)22-6-3-5-21(2)8-9-22/h2-6,13,15-16H,1,7-12,14H2,(H,26,31)(H,27,28);3-7,12,14-15H,1,8-11,13H2,2H3,(H,25,31)(H,26,27);6-12,14H,3-5,13,15H2,1-2H3,(H,25,30)(H,26,27);3-10H,1H2,2H3,(H,21,26)(H,22,23);4,7,10,12H,1,3,5-6,8-9,11H2,2H3,(H,20,25);4,7,10-11H,1,3,5-6,8-9H2,2H3,(H,19,24)/b18-13+;17-12+;18-12+;15-8-;14-10+;14-10-.
What are the key properties of (5Z)-5-[[5-(3-chloroanilino)pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-1-methyl-4-methylideneimidazolidin-2-one;(4E)-4-[[5-[3-(diethylaminomethyl)anilino]pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylidenepyrrolidin-2-one;(4E)-4-[[5-(4-methyl-1,4-diazepan-1-yl)pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylidenepyrrolidin-2-one;(5Z)-5-[[5-(4-methyl-1,4-diazepan-1-yl)pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-4-methylidene-1,3-thiazolidin-2-one;(4E)-5-methylidene-4-[[5-[3-(4-methylpiperazin-1-yl)anilino]pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]pyrrolidin-2-one;(4E)-5-methylidene-4-[[5-[3-(2-morpholin-4-ylethoxy)anilino]pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]pyrrolidin-2-one?
(5Z)-5-[[5-(3-chloroanilino)pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-1-methyl-4-methylideneimidazolidin-2-one;(4E)-4-[[5-[3-(diethylaminomethyl)anilino]pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylidenepyrrolidin-2-one;(4E)-4-[[5-(4-methyl-1,4-diazepan-1-yl)pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylidenepyrrolidin-2-one;(5Z)-5-[[5-(4-methyl-1,4-diazepan-1-yl)pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-4-methylidene-1,3-thiazolidin-2-one;(4E)-5-methylidene-4-[[5-[3-(4-methylpiperazin-1-yl)anilino]pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]pyrrolidin-2-one;(4E)-5-methylidene-4-[[5-[3-(2-morpholin-4-ylethoxy)anilino]pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]pyrrolidin-2-one has a molecular weight of 2326.20 g/mol, XLogP of 11.51, 25 rotatable bonds, 10 hydrogen bond donors, and 40 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z)-5-[[5-(3-chloroanilino)pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-1-methyl-4-methylideneimidazolidin-2-one;(4E)-4-[[5-[3-(diethylaminomethyl)anilino]pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylidenepyrrolidin-2-one;(4E)-4-[[5-(4-methyl-1,4-diazepan-1-yl)pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylidenepyrrolidin-2-one;(5Z)-5-[[5-(4-methyl-1,4-diazepan-1-yl)pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-4-methylidene-1,3-thiazolidin-2-one;(4E)-5-methylidene-4-[[5-[3-(4-methylpiperazin-1-yl)anilino]pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]pyrrolidin-2-one;(4E)-5-methylidene-4-[[5-[3-(2-morpholin-4-ylethoxy)anilino]pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]pyrrolidin-2-one is sourced from PubChem (CID 160731847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).