(4Z)-4-[[5-(1,3-benzothiazol-2-ylamino)-7-(cyclopropylamino)pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylideneimidazolidin-2-one;(4Z)-4-[[7-(cyclopropylamino)-5-(N,3-dimethylanilino)pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylideneimidazolidin-2-one;(4Z)-4-[[7-(cyclopropylamino)-5-[(4-methyl-1,3-oxazol-2-yl)amino]pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylideneimidazolidin-2-one;(4Z)-4-[[7-(cyclopropylamino)-5-[(5-methyl-1,3-thiazol-2-yl)amino]pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylideneimidazolidin-2-one;(4Z)-4-[[7-(cyclopropylamino)-5-[(4-propan-2-yl-1,3-thiazol-2-yl)amino]pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylideneimidazolidin-2-one

C99H99N39O6S3 — CID 157489256

IUPAC(4Z)-4-[[5-(1,3-benzothiazol-2-ylamino)-7-(cyclopropylamino)pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylideneimidazolidin-2-one;(4Z)-4-[[7-(cyclopropylamino)-5-(N,3-dimethylanilino)pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylideneimidazolidin-2-one;(4Z)-4-[[7-(cyclopropylamino)-5-[(4-methyl-1,3-oxazol-2-yl)amino]pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylideneimidazolidin-2-one;(4Z)-4-[[7-(cyclopropylamino)-5-[(5-methyl-1,3-thiazol-2-yl)amino]pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylideneimidazolidin-2-one;(4Z)-4-[[7-(cyclopropylamino)-5-[(4-propan-2-yl-1,3-thiazol-2-yl)amino]pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylideneimidazolidin-2-one
SMILESC=c1[nH]c(=O)[nH]/c1=C\c1cnn2c(NC3CC3)cc(N(C)c3cccc(C)c3)nc12.C=c1[nH]c(=O)[nH]/c1=C\c1cnn2c(NC3CC3)cc(Nc3nc(C(C)C)cs3)nc12.C=c1[nH]c(=O)[nH]/c1=C\c1cnn2c(NC3CC3)cc(Nc3nc(C)co3)nc12.C=c1[nH]c(=O)[nH]/c1=C\c1cnn2c(NC3CC3)cc(Nc3nc4ccccc4s3)nc12.C=c1[nH]c(=O)[nH]/c1=C\c1cnn2c(NC3CC3)cc(Nc3ncc(C)s3)nc12
InChIInChI=1S/C22H23N7O.C21H18N8OS.C20H22N8OS.C18H18N8O2.C18H18N8OS/c1-13-5-4-6-17(9-13)28(3)19-11-20(25-16-7-8-16)29-21(27-19)15(12-23-29)10-18-14(2)24-22(30)26-18;1-11-15(25-20(30)23-11)8-12-10-22-29-18(24-13-6-7-13)9-17(27-19(12)29)28-21-26-14-4-2-3-5-16(14)31-21;1-10(2)15-9-30-20(25-15)27-16-7-17(23-13-4-5-13)28-18(26-16)12(8-21-28)6-14-11(3)22-19(29)24-14;1-9-8-28-18(20-9)25-14-6-15(22-12-3-4-12)26-16(24-14)11(7-19-26)5-13-10(2)21-17(27)23-13;1-9-7-19-18(28-9)25-14-6-15(22-12-3-4-12)26-16(24-14)11(8-20-26)5-13-10(2)21-17(27)23-13/h4-6,9-12,16,25H,2,7-8H2,1,3H3,(H2,24,26,30);2-5,8-10,13,24H,1,6-7H2,(H2,23,25,30)(H,26,27,28);6-10,13,23H,3-5H2,1-2H3,(H2,22,24,29)(H,25,26,27);5-8,12,22H,2-4H2,1H3,(H,20,24,25)(H2,21,23,27);5-8,12,22H,2-4H2,1H3,(H,19,24,25)(H2,21,23,27)/b18-10-;15-8-;14-6-;2*13-5-
InChIKeyBXBQDACNFQGMQF-GUIBQREPSA-N
MW2027.35 g/mol
LogP7.10
Rot. Bonds26

About (4Z)-4-[[5-(1,3-benzothiazol-2-ylamino)-7-(cyclopropylamino)pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylideneimidazolidin-2-one;(4Z)-4-[[7-(cyclopropylamino)-5-(N,3-dimethylanilino)pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylideneimidazolidin-2-one;(4Z)-4-[[7-(cyclopropylamino)-5-[(4-methyl-1,3-oxazol-2-yl)amino]pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylideneimidazolidin-2-one;(4Z)-4-[[7-(cyclopropylamino)-5-[(5-methyl-1,3-thiazol-2-yl)amino]pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylideneimidazolidin-2-one;(4Z)-4-[[7-(cyclopropylamino)-5-[(4-propan-2-yl-1,3-thiazol-2-yl)amino]pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylideneimidazolidin-2-one

(4Z)-4-[[5-(1,3-benzothiazol-2-ylamino)-7-(cyclopropylamino)pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylideneimidazolidin-2-one;(4Z)-4-[[7-(cyclopropylamino)-5-(N,3-dimethylanilino)pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylideneimidazolidin-2-one;(4Z)-4-[[7-(cyclopropylamino)-5-[(4-methyl-1,3-oxazol-2-yl)amino]pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylideneimidazolidin-2-one;(4Z)-4-[[7-(cyclopropylamino)-5-[(5-methyl-1,3-thiazol-2-yl)amino]pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylideneimidazolidin-2-one;(4Z)-4-[[7-(cyclopropylamino)-5-[(4-propan-2-yl-1,3-thiazol-2-yl)amino]pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylideneimidazolidin-2-one (PubChem CID 157489256) has the molecular formula C99H99N39O6S3 and a molecular weight of 2027.35 g/mol. Its IUPAC name is (4Z)-4-[[5-(1,3-benzothiazol-2-ylamino)-7-(cyclopropylamino)pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylideneimidazolidin-2-one;(4Z)-4-[[7-(cyclopropylamino)-5-(N,3-dimethylanilino)pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylideneimidazolidin-2-one;(4Z)-4-[[7-(cyclopropylamino)-5-[(4-methyl-1,3-oxazol-2-yl)amino]pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylideneimidazolidin-2-one;(4Z)-4-[[7-(cyclopropylamino)-5-[(5-methyl-1,3-thiazol-2-yl)amino]pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylideneimidazolidin-2-one;(4Z)-4-[[7-(cyclopropylamino)-5-[(4-propan-2-yl-1,3-thiazol-2-yl)amino]pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylideneimidazolidin-2-one.

Molecular Properties

Compound Name(4Z)-4-[[5-(1,3-benzothiazol-2-ylamino)-7-(cyclopropylamino)pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylideneimidazolidin-2-one;(4Z)-4-[[7-(cyclopropylamino)-5-(N,3-dimethylanilino)pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylideneimidazolidin-2-one;(4Z)-4-[[7-(cyclopropylamino)-5-[(4-methyl-1,3-oxazol-2-yl)amino]pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylideneimidazolidin-2-one;(4Z)-4-[[7-(cyclopropylamino)-5-[(5-methyl-1,3-thiazol-2-yl)amino]pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylideneimidazolidin-2-one;(4Z)-4-[[7-(cyclopropylamino)-5-[(4-propan-2-yl-1,3-thiazol-2-yl)amino]pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylideneimidazolidin-2-one
PubChem CID157489256
Molecular FormulaC99H99N39O6S3
Molecular Weight2027.35 g/mol
Exact Mass2025.78
IUPAC Name(4Z)-4-[[5-(1,3-benzothiazol-2-ylamino)-7-(cyclopropylamino)pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylideneimidazolidin-2-one;(4Z)-4-[[7-(cyclopropylamino)-5-(N,3-dimethylanilino)pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylideneimidazolidin-2-one;(4Z)-4-[[7-(cyclopropylamino)-5-[(4-methyl-1,3-oxazol-2-yl)amino]pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylideneimidazolidin-2-one;(4Z)-4-[[7-(cyclopropylamino)-5-[(5-methyl-1,3-thiazol-2-yl)amino]pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylideneimidazolidin-2-one;(4Z)-4-[[7-(cyclopropylamino)-5-[(4-propan-2-yl-1,3-thiazol-2-yl)amino]pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylideneimidazolidin-2-one
SMILESC=c1[nH]c(=O)[nH]/c1=C\c1cnn2c(NC3CC3)cc(N(C)c3cccc(C)c3)nc12.C=c1[nH]c(=O)[nH]/c1=C\c1cnn2c(NC3CC3)cc(Nc3nc(C(C)C)cs3)nc12.C=c1[nH]c(=O)[nH]/c1=C\c1cnn2c(NC3CC3)cc(Nc3nc(C)co3)nc12.C=c1[nH]c(=O)[nH]/c1=C\c1cnn2c(NC3CC3)cc(Nc3nc4ccccc4s3)nc12.C=c1[nH]c(=O)[nH]/c1=C\c1cnn2c(NC3CC3)cc(Nc3ncc(C)s3)nc12
InChIInChI=1S/C22H23N7O.C21H18N8OS.C20H22N8OS.C18H18N8O2.C18H18N8OS/c1-13-5-4-6-17(9-13)28(3)19-11-20(25-16-7-8-16)29-21(27-19)15(12-23-29)10-18-14(2)24-22(30)26-18;1-11-15(25-20(30)23-11)8-12-10-22-29-18(24-13-6-7-13)9-17(27-19(12)29)28-21-26-14-4-2-3-5-16(14)31-21;1-10(2)15-9-30-20(25-15)27-16-7-17(23-13-4-5-13)28-18(26-16)12(8-21-28)6-14-11(3)22-19(29)24-14;1-9-8-28-18(20-9)25-14-6-15(22-12-3-4-12)26-16(24-14)11(7-19-26)5-13-10(2)21-17(27)23-13;1-9-7-19-18(28-9)25-14-6-15(22-12-3-4-12)26-16(24-14)11(8-20-26)5-13-10(2)21-17(27)23-13/h4-6,9-12,16,25H,2,7-8H2,1,3H3,(H2,24,26,30);2-5,8-10,13,24H,1,6-7H2,(H2,23,25,30)(H,26,27,28);6-10,13,23H,3-5H2,1-2H3,(H2,22,24,29)(H,25,26,27);5-8,12,22H,2-4H2,1H3,(H,20,24,25)(H2,21,23,27);5-8,12,22H,2-4H2,1H3,(H,19,24,25)(H2,21,23,27)/b18-10-;15-8-;14-6-;2*13-5-
InChIKeyBXBQDACNFQGMQF-GUIBQREPSA-N
XLogP7.10
TPSA570.41 Ų
H-Bond Donors19
H-Bond Acceptors38
Rotatable Bonds26
Heavy Atoms147
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002027.35
LogP ≤ 57.10
H-Bond Donors ≤ 519
H-Bond Acceptors ≤ 1038

Analyze (4Z)-4-[[5-(1,3-benzothiazol-2-ylamino)-7-(cyclopropylamino)pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylideneimidazolidin-2-one;(4Z)-4-[[7-(cyclopropylamino)-5-(N,3-dimethylanilino)pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylideneimidazolidin-2-one;(4Z)-4-[[7-(cyclopropylamino)-5-[(4-methyl-1,3-oxazol-2-yl)amino]pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylideneimidazolidin-2-one;(4Z)-4-[[7-(cyclopropylamino)-5-[(5-methyl-1,3-thiazol-2-yl)amino]pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylideneimidazolidin-2-one;(4Z)-4-[[7-(cyclopropylamino)-5-[(4-propan-2-yl-1,3-thiazol-2-yl)amino]pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylideneimidazolidin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3,5-dimethylpyridin-2-amine;4,5-dimethylpyridin-2-amine;N,5-dimethylpyridin-2-amine;4,5-dimethyl-1,3-thiazol-2-amine;N,5-dimethyl-1,3-thiazol-2-amine;5-methyl-1H-imidazol-2-amine;4-methyl-1H-indazole;5-methyl-1H-indazole;3-methyl-1,2,4-oxadiazol-5-amine;4-methyl-1,3-oxazol-2-amine;5-methyl-1,3-oxazol-2-amine;5-methyl-1H-pyrazol-3-amine;5-methyl-1H-pyrazolo[5,4-b]pyridine;4-methylpyridin-2-amine;5-methylpyridin-2-amine;N-(5-methyl-2-pyridinyl)acetamide;2-methylpyrimidin-5-amine;5-methylpyrimidin-2-amine;4-methyl-1H-pyrrolo[2,3-b]pyridine;6-methyl-1H-pyrrolo[2,3-b]pyridine;6-methyl-1H-pyrrolo[3,2-b]pyridine;5-methyl-1H-pyrrolo[2,3-c]pyridine;4-methyl-1,3-thiazol-2-amine;5-methyl-1,3-thiazol-2-amine;N,N,5-trimethyl-1,3-thiazol-2-amine
CID 157196924
3,5-dimethylpyridin-2-amine;4,5-dimethylpyridin-2-amine;N,5-dimethylpyridin-2-amine;4,5-dimethyl-1,3-thiazol-2-amine;N,5-dimethyl-1,3-thiazol-2-amine;5-methyl-1H-imidazol-2-amine;4-methyl-1H-indazole;5-methyl-1H-indazole;3-methyl-1,2,4-oxadiazol-5-amine;4-methyl-1,3-oxazol-2-amine;5-methyl-1,3-oxazol-2-amine;5-methyl-1H-pyrazol-3-amine;4-methyl-1H-pyrazolo[3,4-b]pyridine;4-methyl-1H-pyrazolo[4,5-c]pyridine;4-methyl-1H-pyrazolo[5,4-c]pyridine;4-methylpyridin-2-amine;5-methylpyridin-2-amine;N-(5-methyl-2-pyridinyl)acetamide;2-methylpyrimidin-5-amine;5-methylpyrimidin-2-amine;4-methyl-1H-pyrrolo[2,3-b]pyridine;5-methyl-1H-pyrrolo[2,3-b]pyridine;5-methyl-1H-pyrrolo[3,2-b]pyridine;6-methyl-1H-pyrrolo[2,3-b]pyridine;6-methyl-1H-pyrrolo[3,2-b]pyridine;5-methyl-1H-pyrrolo[2,3-c]pyridine;4-methyl-1,3-thiazol-2-amine;5-methyl-1,3-thiazol-2-amine;N,N,5-trimethyl-1,3-thiazol-2-amine
CID 157889030
6-propan-2-ylimidazo[1,2-a]pyridine;1-propan-2-ylimidazole;2-propan-2-yl-1H-imidazole;5-propan-2-yl-1H-imidazole;bis(2-propan-2-yl-1,3-oxazole);bis(4-propan-2-yl-1,3-oxazole);bis(5-propan-2-yl-1,3-oxazole);3-propan-2-ylpyridazine;4-propan-2-ylpyridazine;2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;2-propan-2-ylpyrimidine;4-propan-2-ylpyrimidine;5-propan-2-ylpyrimidine;1-propan-2-yltetrazole;5-propan-2-yl-2H-tetrazole;2-propan-2-yl-1,3-thiazole;4-propan-2-yl-1,3-thiazole;5-propan-2-yl-1,3-thiazole
CID 158500783
4-[1-[(2-Fluorophenyl)methyl]-5-pyrimidin-2-yl-1,2,4-triazol-3-yl]-1,3-oxazole;4-[2-[(2-fluorophenyl)methyl]-5-pyrimidin-2-yl-1,2,4-triazol-3-yl]-1,3-oxazole;2-[2-[(2-fluorophenyl)methyl]-5-(1,3-thiazol-2-yl)-1,2,4-triazol-3-yl]pyridin-4-amine;2-[1-[(2-fluorophenyl)methyl]-5-(1,3-thiazol-2-yl)-1,2,4-triazol-3-yl]pyrimidin-4-amine
CID 158866546
(4Z)-4-[[7-(cyclopropylamino)-5-[(4-methyl-1,3-oxazol-2-yl)amino]pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylideneimidazolidin-2-one;(4Z)-4-[[7-(cyclopropylamino)-5-[(5-methyl-1,3-thiazol-2-yl)amino]pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylideneimidazolidin-2-one;(4Z)-4-[[7-(cyclopropylamino)-5-[(4-propan-2-yl-1,3-thiazol-2-yl)amino]pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylideneimidazolidin-2-one;(4Z)-4-[[7-(cyclopropylamino)-5-(pyridin-3-ylamino)pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylideneimidazolidin-2-one;(4Z)-4-[[7-(cyclopropylamino)-5-pyrrol-1-ylpyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylideneimidazolidin-2-one
CID 159696453
7H-cyclopenta[b]pyridine;7H-cyclopenta[c]pyridazine;7H-cyclopenta[d]pyrimidine;1-cyclopropyl-6-methylpyrazolo[5,4-b]pyridine;1-cyclopropyl-6-methylpyrrolo[2,3-b]pyridine;1-cyclopropylpyrazolo[5,4-b]pyridine;1-cyclopropylpyrrolo[2,3-b]pyridine;7-cyclopropylpyrrolo[2,3-c]pyridazine;1,6-dimethylpyrazolo[5,4-b]pyridine;1,6-dimethylpyrrolo[2,3-b]pyridine;2-methyl-7H-cyclopenta[b]pyridine;5-methyl-[1,3]oxazolo[4,5-b]pyrazine;1-methylpyrazolo[5,4-b]pyridine;1-methylpyrrolo[2,3-b]pyridine;2-methyl-7H-pyrrolo[3,4-b]pyridine;7-methylpyrrolo[2,3-c]pyridazine;5-methyl-[1,3]thiazolo[4,5-b]pyrazine;[1,3]oxazolo[4,5-b]pyrazine;7H-pyrrolo[3,4-b]pyridine
CID 160608847
tert-butylbenzene;2-tert-butylpyrazine;2-tert-butyl-1,3,4-thiadiazole;2-tert-butyl-[1,3]thiazolo[5,4-b]pyridine;cyclopenta-1,3-diene;heptakis(2,2-dimethylpropane);ethane;1H-imidazole;2-methylpropane;1,3-oxazole;bis(1H-pyrazolo[3,4-d]pyrimidine);pyridine;3H-pyrrolo[3,2-b]pyridine;1,3-thiazole
CID 161460015
methane;6-methyl-1H-benzimidazole;2-methyl-1,3-benzothiazole;5-methyl-1,3-benzothiazole;5-methyl-2H-benzotriazole;2-methylcyclopenta-1,3-diene;3-methyl-4,5-dihydro-1H-pyrazole;bis(2-methylimidazo[1,2-a]pyridine);bis(3-methylimidazo[1,2-a]pyridine);4-methyl-1H-imidazo[4,5-c]pyridine;4-methyl-1,3-oxazole;5-methyl-1,3-oxazole;1-methylpiperidine;2-methylpyrazine;3-methyl-4H-pyrazole;4-methyl-1H-pyrazole;3-methylpyrazolo[1,5-a]pyridine;6-methylpyrazolo[1,5-a]pyridine;N-(2-methylpyrazol-3-yl)acetamide;4-methylpyridazine;5-methylpyrimidine;2-methylsulfanyl-3H-pyrrole;6-methyltetrazolo[1,5-a]pyridine;8-methyltetrazolo[1,5-a]pyridine;3-methyl-1,2,5-thiadiazole;4-methyl-1,3-thiazole;5-methyl-1,3-thiazole;7-methyl-[1,3]thiazolo[5,4-d]pyrimidine;4-methyl-2H-triazole;7-methyl-[1,2,4]triazolo[1,5-a]pyridine;6-methyl-[1,2,4]triazolo[1,5-a]pyrimidine
CID 161769228
2-ethylpyridine;2-methyl-1H-benzimidazole;4-methyl-1H-benzimidazole;5-methyl-2H-benzimidazole;6-methyl-1H-benzimidazole;2-methyl-1,3-benzothiazole;5-methyl-1,3-benzothiazole;bis(2-methylimidazo[1,2-a]pyridine);3-methylimidazo[1,2-a]pyridine;1-methylimidazole;bis(4-methyl-2H-imidazole);3-methylindolizine;4-methylmorpholine;5-methyl-1,2,4-oxadiazole;4-methyl-1,3-oxazole;1-methylpiperidine;2-methylpyrazine;3-methyl-4H-pyrazole;3-methylpyrazolo[1,5-a]pyridine;6-methylpyrazolo[1,5-a]pyridine;N-(2-methylpyrazol-3-yl)acetamide;4-methylpyridazine;5-methylpyrimidine;4-methyl-2H-pyrrole;1-methylpyrrolidine;2-methylsulfanyl-3H-pyrrole;8-methyltetrazolo[1,5-c]pyrimidine;7-methyl-[1,3]thiazolo[5,4-d]pyrimidine;1-methyl-1,2,4-triazole;5-methyl-4H-triazole;6-methyl-[1,2,4]triazolo[1,5-a]pyridine;7-methyl-[1,2,4]triazolo[1,5-a]pyridine;6-methyl-[1,2,4]triazolo[1,5-a]pyrimidine;toluene
CID 161923536
tert-butyl N-(6-tert-butyl-2-pyridinyl)carbamate;4-tert-butyl-N-cyclopropyl-1,3-oxazol-2-amine;4-tert-butyl-2-methoxy-1,3-thiazole;4-tert-butyl-5-methyl-N-propan-2-yl-1,3-thiazol-2-amine;2-tert-butyl-6-methylpyrazine;2-tert-butyl-4-methylpyrimidine;2-tert-butyl-4-methyl-1,3-thiazole;1-tert-butyl-N-propan-2-ylpyrazol-3-amine;6-tert-butyl-N-propan-2-ylpyridin-2-amine;5-tert-butyl-N-propan-2-yl-1,3,4-thiadiazol-2-amine;6-tert-butylpyridin-2-amine
CID 162083326

Frequently Asked Questions

What is the IUPAC name of (4Z)-4-[[5-(1,3-benzothiazol-2-ylamino)-7-(cyclopropylamino)pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylideneimidazolidin-2-one;(4Z)-4-[[7-(cyclopropylamino)-5-(N,3-dimethylanilino)pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylideneimidazolidin-2-one;(4Z)-4-[[7-(cyclopropylamino)-5-[(4-methyl-1,3-oxazol-2-yl)amino]pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylideneimidazolidin-2-one;(4Z)-4-[[7-(cyclopropylamino)-5-[(5-methyl-1,3-thiazol-2-yl)amino]pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylideneimidazolidin-2-one;(4Z)-4-[[7-(cyclopropylamino)-5-[(4-propan-2-yl-1,3-thiazol-2-yl)amino]pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylideneimidazolidin-2-one?
The IUPAC name of (4Z)-4-[[5-(1,3-benzothiazol-2-ylamino)-7-(cyclopropylamino)pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylideneimidazolidin-2-one;(4Z)-4-[[7-(cyclopropylamino)-5-(N,3-dimethylanilino)pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylideneimidazolidin-2-one;(4Z)-4-[[7-(cyclopropylamino)-5-[(4-methyl-1,3-oxazol-2-yl)amino]pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylideneimidazolidin-2-one;(4Z)-4-[[7-(cyclopropylamino)-5-[(5-methyl-1,3-thiazol-2-yl)amino]pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylideneimidazolidin-2-one;(4Z)-4-[[7-(cyclopropylamino)-5-[(4-propan-2-yl-1,3-thiazol-2-yl)amino]pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylideneimidazolidin-2-one (CID 157489256) is (4Z)-4-[[5-(1,3-benzothiazol-2-ylamino)-7-(cyclopropylamino)pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylideneimidazolidin-2-one;(4Z)-4-[[7-(cyclopropylamino)-5-(N,3-dimethylanilino)pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylideneimidazolidin-2-one;(4Z)-4-[[7-(cyclopropylamino)-5-[(4-methyl-1,3-oxazol-2-yl)amino]pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylideneimidazolidin-2-one;(4Z)-4-[[7-(cyclopropylamino)-5-[(5-methyl-1,3-thiazol-2-yl)amino]pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylideneimidazolidin-2-one;(4Z)-4-[[7-(cyclopropylamino)-5-[(4-propan-2-yl-1,3-thiazol-2-yl)amino]pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylideneimidazolidin-2-one.
What is the SMILES notation for (4Z)-4-[[5-(1,3-benzothiazol-2-ylamino)-7-(cyclopropylamino)pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylideneimidazolidin-2-one;(4Z)-4-[[7-(cyclopropylamino)-5-(N,3-dimethylanilino)pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylideneimidazolidin-2-one;(4Z)-4-[[7-(cyclopropylamino)-5-[(4-methyl-1,3-oxazol-2-yl)amino]pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylideneimidazolidin-2-one;(4Z)-4-[[7-(cyclopropylamino)-5-[(5-methyl-1,3-thiazol-2-yl)amino]pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylideneimidazolidin-2-one;(4Z)-4-[[7-(cyclopropylamino)-5-[(4-propan-2-yl-1,3-thiazol-2-yl)amino]pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylideneimidazolidin-2-one?
The canonical SMILES for (4Z)-4-[[5-(1,3-benzothiazol-2-ylamino)-7-(cyclopropylamino)pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylideneimidazolidin-2-one;(4Z)-4-[[7-(cyclopropylamino)-5-(N,3-dimethylanilino)pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylideneimidazolidin-2-one;(4Z)-4-[[7-(cyclopropylamino)-5-[(4-methyl-1,3-oxazol-2-yl)amino]pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylideneimidazolidin-2-one;(4Z)-4-[[7-(cyclopropylamino)-5-[(5-methyl-1,3-thiazol-2-yl)amino]pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylideneimidazolidin-2-one;(4Z)-4-[[7-(cyclopropylamino)-5-[(4-propan-2-yl-1,3-thiazol-2-yl)amino]pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylideneimidazolidin-2-one is C=c1[nH]c(=O)[nH]/c1=C\c1cnn2c(NC3CC3)cc(N(C)c3cccc(C)c3)nc12.C=c1[nH]c(=O)[nH]/c1=C\c1cnn2c(NC3CC3)cc(Nc3nc(C(C)C)cs3)nc12.C=c1[nH]c(=O)[nH]/c1=C\c1cnn2c(NC3CC3)cc(Nc3nc(C)co3)nc12.C=c1[nH]c(=O)[nH]/c1=C\c1cnn2c(NC3CC3)cc(Nc3nc4ccccc4s3)nc12.C=c1[nH]c(=O)[nH]/c1=C\c1cnn2c(NC3CC3)cc(Nc3ncc(C)s3)nc12.
What is the InChIKey of (4Z)-4-[[5-(1,3-benzothiazol-2-ylamino)-7-(cyclopropylamino)pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylideneimidazolidin-2-one;(4Z)-4-[[7-(cyclopropylamino)-5-(N,3-dimethylanilino)pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylideneimidazolidin-2-one;(4Z)-4-[[7-(cyclopropylamino)-5-[(4-methyl-1,3-oxazol-2-yl)amino]pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylideneimidazolidin-2-one;(4Z)-4-[[7-(cyclopropylamino)-5-[(5-methyl-1,3-thiazol-2-yl)amino]pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylideneimidazolidin-2-one;(4Z)-4-[[7-(cyclopropylamino)-5-[(4-propan-2-yl-1,3-thiazol-2-yl)amino]pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylideneimidazolidin-2-one?
The InChIKey is BXBQDACNFQGMQF-GUIBQREPSA-N. The full InChI is InChI=1S/C22H23N7O.C21H18N8OS.C20H22N8OS.C18H18N8O2.C18H18N8OS/c1-13-5-4-6-17(9-13)28(3)19-11-20(25-16-7-8-16)29-21(27-19)15(12-23-29)10-18-14(2)24-22(30)26-18;1-11-15(25-20(30)23-11)8-12-10-22-29-18(24-13-6-7-13)9-17(27-19(12)29)28-21-26-14-4-2-3-5-16(14)31-21;1-10(2)15-9-30-20(25-15)27-16-7-17(23-13-4-5-13)28-18(26-16)12(8-21-28)6-14-11(3)22-19(29)24-14;1-9-8-28-18(20-9)25-14-6-15(22-12-3-4-12)26-16(24-14)11(7-19-26)5-13-10(2)21-17(27)23-13;1-9-7-19-18(28-9)25-14-6-15(22-12-3-4-12)26-16(24-14)11(8-20-26)5-13-10(2)21-17(27)23-13/h4-6,9-12,16,25H,2,7-8H2,1,3H3,(H2,24,26,30);2-5,8-10,13,24H,1,6-7H2,(H2,23,25,30)(H,26,27,28);6-10,13,23H,3-5H2,1-2H3,(H2,22,24,29)(H,25,26,27);5-8,12,22H,2-4H2,1H3,(H,20,24,25)(H2,21,23,27);5-8,12,22H,2-4H2,1H3,(H,19,24,25)(H2,21,23,27)/b18-10-;15-8-;14-6-;2*13-5-.
What are the key properties of (4Z)-4-[[5-(1,3-benzothiazol-2-ylamino)-7-(cyclopropylamino)pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylideneimidazolidin-2-one;(4Z)-4-[[7-(cyclopropylamino)-5-(N,3-dimethylanilino)pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylideneimidazolidin-2-one;(4Z)-4-[[7-(cyclopropylamino)-5-[(4-methyl-1,3-oxazol-2-yl)amino]pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylideneimidazolidin-2-one;(4Z)-4-[[7-(cyclopropylamino)-5-[(5-methyl-1,3-thiazol-2-yl)amino]pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylideneimidazolidin-2-one;(4Z)-4-[[7-(cyclopropylamino)-5-[(4-propan-2-yl-1,3-thiazol-2-yl)amino]pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylideneimidazolidin-2-one?
(4Z)-4-[[5-(1,3-benzothiazol-2-ylamino)-7-(cyclopropylamino)pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylideneimidazolidin-2-one;(4Z)-4-[[7-(cyclopropylamino)-5-(N,3-dimethylanilino)pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylideneimidazolidin-2-one;(4Z)-4-[[7-(cyclopropylamino)-5-[(4-methyl-1,3-oxazol-2-yl)amino]pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylideneimidazolidin-2-one;(4Z)-4-[[7-(cyclopropylamino)-5-[(5-methyl-1,3-thiazol-2-yl)amino]pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylideneimidazolidin-2-one;(4Z)-4-[[7-(cyclopropylamino)-5-[(4-propan-2-yl-1,3-thiazol-2-yl)amino]pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylideneimidazolidin-2-one has a molecular weight of 2027.35 g/mol, XLogP of 7.10, 26 rotatable bonds, 19 hydrogen bond donors, and 38 hydrogen bond acceptors.
Where does this data come from?
All data for (4Z)-4-[[5-(1,3-benzothiazol-2-ylamino)-7-(cyclopropylamino)pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylideneimidazolidin-2-one;(4Z)-4-[[7-(cyclopropylamino)-5-(N,3-dimethylanilino)pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylideneimidazolidin-2-one;(4Z)-4-[[7-(cyclopropylamino)-5-[(4-methyl-1,3-oxazol-2-yl)amino]pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylideneimidazolidin-2-one;(4Z)-4-[[7-(cyclopropylamino)-5-[(5-methyl-1,3-thiazol-2-yl)amino]pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylideneimidazolidin-2-one;(4Z)-4-[[7-(cyclopropylamino)-5-[(4-propan-2-yl-1,3-thiazol-2-yl)amino]pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylideneimidazolidin-2-one is sourced from PubChem (CID 157489256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).