5-chloro-N-[7-(cyclopropylamino)-3-[(E)-(2-methylidene-5-oxopyrrolidin-3-ylidene)methyl]pyrazolo[1,5-a]pyrimidin-5-yl]-2-fluorobenzamide;3-cyano-N-[7-(cyclopropylamino)-3-[(E)-(2-methylidene-5-oxopyrrolidin-3-ylidene)methyl]pyrazolo[1,5-a]pyrimidin-5-yl]benzamide;N-[7-(cyclopropylamino)-3-[(E)-(2-methylidene-5-oxopyrrolidin-3-ylidene)methyl]pyrazolo[1,5-a]pyrimidin-5-yl]-4-imidazol-1-ylbenzamide;N-[7-(cyclopropylamino)-3-[(E)-(2-methylidene-5-oxopyrrolidin-3-ylidene)methyl]pyrazolo[1,5-a]pyrimidin-5-yl]-3-methoxybenzamide;N-[7-(cyclopropylamino)-3-[(E)-(2-methylidene-5-oxopyrrolidin-3-ylidene)methyl]pyrazolo[1,5-a]pyrimidin-5-yl]thiophene-2-carboxamide

C113H99ClFN33O11S — CID 161002851

IUPAC5-chloro-N-[7-(cyclopropylamino)-3-[(E)-(2-methylidene-5-oxopyrrolidin-3-ylidene)methyl]pyrazolo[1,5-a]pyrimidin-5-yl]-2-fluorobenzamide;3-cyano-N-[7-(cyclopropylamino)-3-[(E)-(2-methylidene-5-oxopyrrolidin-3-ylidene)methyl]pyrazolo[1,5-a]pyrimidin-5-yl]benzamide;N-[7-(cyclopropylamino)-3-[(E)-(2-methylidene-5-oxopyrrolidin-3-ylidene)methyl]pyrazolo[1,5-a]pyrimidin-5-yl]-4-imidazol-1-ylbenzamide;N-[7-(cyclopropylamino)-3-[(E)-(2-methylidene-5-oxopyrrolidin-3-ylidene)methyl]pyrazolo[1,5-a]pyrimidin-5-yl]-3-methoxybenzamide;N-[7-(cyclopropylamino)-3-[(E)-(2-methylidene-5-oxopyrrolidin-3-ylidene)methyl]pyrazolo[1,5-a]pyrimidin-5-yl]thiophene-2-carboxamide
SMILESC=C1NC(=O)C/C1=C\c1cnn2c(NC3CC3)cc(NC(=O)c3cc(Cl)ccc3F)nc12.C=C1NC(=O)C/C1=C\c1cnn2c(NC3CC3)cc(NC(=O)c3ccc(-n4ccnc4)cc3)nc12.C=C1NC(=O)C/C1=C\c1cnn2c(NC3CC3)cc(NC(=O)c3cccc(C#N)c3)nc12.C=C1NC(=O)C/C1=C\c1cnn2c(NC3CC3)cc(NC(=O)c3cccc(OC)c3)nc12.C=C1NC(=O)C/C1=C\c1cnn2c(NC3CC3)cc(NC(=O)c3cccs3)nc12
InChIInChI=1S/C25H22N8O2.C23H19N7O2.C23H22N6O3.C22H18ClFN6O2.C20H18N6O2S/c1-15-17(11-23(34)28-15)10-18-13-27-33-22(29-19-4-5-19)12-21(30-24(18)33)31-25(35)16-2-6-20(7-3-16)32-9-8-26-14-32;1-13-16(9-21(31)26-13)8-17-12-25-30-20(27-18-5-6-18)10-19(28-22(17)30)29-23(32)15-4-2-3-14(7-15)11-24;1-13-15(10-21(30)25-13)8-16-12-24-29-20(26-17-6-7-17)11-19(27-22(16)29)28-23(31)14-4-3-5-18(9-14)32-2;1-11-12(7-20(31)26-11)6-13-10-25-30-19(27-15-3-4-15)9-18(28-21(13)30)29-22(32)16-8-14(23)2-5-17(16)24;1-11-12(8-18(27)22-11)7-13-10-21-26-17(23-14-4-5-14)9-16(24-19(13)26)25-20(28)15-3-2-6-29-15/h2-3,6-10,12-14,19,29H,1,4-5,11H2,(H,28,34)(H,30,31,35);2-4,7-8,10,12,18,27H,1,5-6,9H2,(H,26,31)(H,28,29,32);3-5,8-9,11-12,17,26H,1,6-7,10H2,2H3,(H,25,30)(H,27,28,31);2,5-6,8-10,15,27H,1,3-4,7H2,(H,26,31)(H,28,29,32);2-3,6-7,9-10,14,23H,1,4-5,8H2,(H,22,27)(H,24,25,28)/b17-10+;16-8+;15-8+;12-6+;12-7+
InChIKeyTWCNRIJIYXEBMU-LVCYJFEISA-N
MW2181.77 g/mol
LogP15.78
Rot. Bonds27

About 5-chloro-N-[7-(cyclopropylamino)-3-[(E)-(2-methylidene-5-oxopyrrolidin-3-ylidene)methyl]pyrazolo[1,5-a]pyrimidin-5-yl]-2-fluorobenzamide;3-cyano-N-[7-(cyclopropylamino)-3-[(E)-(2-methylidene-5-oxopyrrolidin-3-ylidene)methyl]pyrazolo[1,5-a]pyrimidin-5-yl]benzamide;N-[7-(cyclopropylamino)-3-[(E)-(2-methylidene-5-oxopyrrolidin-3-ylidene)methyl]pyrazolo[1,5-a]pyrimidin-5-yl]-4-imidazol-1-ylbenzamide;N-[7-(cyclopropylamino)-3-[(E)-(2-methylidene-5-oxopyrrolidin-3-ylidene)methyl]pyrazolo[1,5-a]pyrimidin-5-yl]-3-methoxybenzamide;N-[7-(cyclopropylamino)-3-[(E)-(2-methylidene-5-oxopyrrolidin-3-ylidene)methyl]pyrazolo[1,5-a]pyrimidin-5-yl]thiophene-2-carboxamide

5-chloro-N-[7-(cyclopropylamino)-3-[(E)-(2-methylidene-5-oxopyrrolidin-3-ylidene)methyl]pyrazolo[1,5-a]pyrimidin-5-yl]-2-fluorobenzamide;3-cyano-N-[7-(cyclopropylamino)-3-[(E)-(2-methylidene-5-oxopyrrolidin-3-ylidene)methyl]pyrazolo[1,5-a]pyrimidin-5-yl]benzamide;N-[7-(cyclopropylamino)-3-[(E)-(2-methylidene-5-oxopyrrolidin-3-ylidene)methyl]pyrazolo[1,5-a]pyrimidin-5-yl]-4-imidazol-1-ylbenzamide;N-[7-(cyclopropylamino)-3-[(E)-(2-methylidene-5-oxopyrrolidin-3-ylidene)methyl]pyrazolo[1,5-a]pyrimidin-5-yl]-3-methoxybenzamide;N-[7-(cyclopropylamino)-3-[(E)-(2-methylidene-5-oxopyrrolidin-3-ylidene)methyl]pyrazolo[1,5-a]pyrimidin-5-yl]thiophene-2-carboxamide (PubChem CID 161002851) has the molecular formula C113H99ClFN33O11S and a molecular weight of 2181.77 g/mol. Its IUPAC name is 5-chloro-N-[7-(cyclopropylamino)-3-[(E)-(2-methylidene-5-oxopyrrolidin-3-ylidene)methyl]pyrazolo[1,5-a]pyrimidin-5-yl]-2-fluorobenzamide;3-cyano-N-[7-(cyclopropylamino)-3-[(E)-(2-methylidene-5-oxopyrrolidin-3-ylidene)methyl]pyrazolo[1,5-a]pyrimidin-5-yl]benzamide;N-[7-(cyclopropylamino)-3-[(E)-(2-methylidene-5-oxopyrrolidin-3-ylidene)methyl]pyrazolo[1,5-a]pyrimidin-5-yl]-4-imidazol-1-ylbenzamide;N-[7-(cyclopropylamino)-3-[(E)-(2-methylidene-5-oxopyrrolidin-3-ylidene)methyl]pyrazolo[1,5-a]pyrimidin-5-yl]-3-methoxybenzamide;N-[7-(cyclopropylamino)-3-[(E)-(2-methylidene-5-oxopyrrolidin-3-ylidene)methyl]pyrazolo[1,5-a]pyrimidin-5-yl]thiophene-2-carboxamide.

Molecular Properties

Compound Name5-chloro-N-[7-(cyclopropylamino)-3-[(E)-(2-methylidene-5-oxopyrrolidin-3-ylidene)methyl]pyrazolo[1,5-a]pyrimidin-5-yl]-2-fluorobenzamide;3-cyano-N-[7-(cyclopropylamino)-3-[(E)-(2-methylidene-5-oxopyrrolidin-3-ylidene)methyl]pyrazolo[1,5-a]pyrimidin-5-yl]benzamide;N-[7-(cyclopropylamino)-3-[(E)-(2-methylidene-5-oxopyrrolidin-3-ylidene)methyl]pyrazolo[1,5-a]pyrimidin-5-yl]-4-imidazol-1-ylbenzamide;N-[7-(cyclopropylamino)-3-[(E)-(2-methylidene-5-oxopyrrolidin-3-ylidene)methyl]pyrazolo[1,5-a]pyrimidin-5-yl]-3-methoxybenzamide;N-[7-(cyclopropylamino)-3-[(E)-(2-methylidene-5-oxopyrrolidin-3-ylidene)methyl]pyrazolo[1,5-a]pyrimidin-5-yl]thiophene-2-carboxamide
PubChem CID161002851
Molecular FormulaC113H99ClFN33O11S
Molecular Weight2181.77 g/mol
Exact Mass2179.76
IUPAC Name5-chloro-N-[7-(cyclopropylamino)-3-[(E)-(2-methylidene-5-oxopyrrolidin-3-ylidene)methyl]pyrazolo[1,5-a]pyrimidin-5-yl]-2-fluorobenzamide;3-cyano-N-[7-(cyclopropylamino)-3-[(E)-(2-methylidene-5-oxopyrrolidin-3-ylidene)methyl]pyrazolo[1,5-a]pyrimidin-5-yl]benzamide;N-[7-(cyclopropylamino)-3-[(E)-(2-methylidene-5-oxopyrrolidin-3-ylidene)methyl]pyrazolo[1,5-a]pyrimidin-5-yl]-4-imidazol-1-ylbenzamide;N-[7-(cyclopropylamino)-3-[(E)-(2-methylidene-5-oxopyrrolidin-3-ylidene)methyl]pyrazolo[1,5-a]pyrimidin-5-yl]-3-methoxybenzamide;N-[7-(cyclopropylamino)-3-[(E)-(2-methylidene-5-oxopyrrolidin-3-ylidene)methyl]pyrazolo[1,5-a]pyrimidin-5-yl]thiophene-2-carboxamide
SMILESC=C1NC(=O)C/C1=C\c1cnn2c(NC3CC3)cc(NC(=O)c3cc(Cl)ccc3F)nc12.C=C1NC(=O)C/C1=C\c1cnn2c(NC3CC3)cc(NC(=O)c3ccc(-n4ccnc4)cc3)nc12.C=C1NC(=O)C/C1=C\c1cnn2c(NC3CC3)cc(NC(=O)c3cccc(C#N)c3)nc12.C=C1NC(=O)C/C1=C\c1cnn2c(NC3CC3)cc(NC(=O)c3cccc(OC)c3)nc12.C=C1NC(=O)C/C1=C\c1cnn2c(NC3CC3)cc(NC(=O)c3cccs3)nc12
InChIInChI=1S/C25H22N8O2.C23H19N7O2.C23H22N6O3.C22H18ClFN6O2.C20H18N6O2S/c1-15-17(11-23(34)28-15)10-18-13-27-33-22(29-19-4-5-19)12-21(30-24(18)33)31-25(35)16-2-6-20(7-3-16)32-9-8-26-14-32;1-13-16(9-21(31)26-13)8-17-12-25-30-20(27-18-5-6-18)10-19(28-22(17)30)29-23(32)15-4-2-3-14(7-15)11-24;1-13-15(10-21(30)25-13)8-16-12-24-29-20(26-17-6-7-17)11-19(27-22(16)29)28-23(31)14-4-3-5-18(9-14)32-2;1-11-12(7-20(31)26-11)6-13-10-25-30-19(27-15-3-4-15)9-18(28-21(13)30)29-22(32)16-8-14(23)2-5-17(16)24;1-11-12(8-18(27)22-11)7-13-10-21-26-17(23-14-4-5-14)9-16(24-19(13)26)25-20(28)15-3-2-6-29-15/h2-3,6-10,12-14,19,29H,1,4-5,11H2,(H,28,34)(H,30,31,35);2-4,7-8,10,12,18,27H,1,5-6,9H2,(H,26,31)(H,28,29,32);3-5,8-9,11-12,17,26H,1,6-7,10H2,2H3,(H,25,30)(H,27,28,31);2,5-6,8-10,15,27H,1,3-4,7H2,(H,26,31)(H,28,29,32);2-3,6-7,9-10,14,23H,1,4-5,8H2,(H,22,27)(H,24,25,28)/b17-10+;16-8+;15-8+;12-6+;12-7+
InChIKeyTWCNRIJIYXEBMU-LVCYJFEISA-N
XLogP15.78
TPSA552.94 Ų
H-Bond Donors15
H-Bond Acceptors35
Rotatable Bonds27
Heavy Atoms160
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002181.77
LogP ≤ 515.78
H-Bond Donors ≤ 515
H-Bond Acceptors ≤ 1035

Analyze 5-chloro-N-[7-(cyclopropylamino)-3-[(E)-(2-methylidene-5-oxopyrrolidin-3-ylidene)methyl]pyrazolo[1,5-a]pyrimidin-5-yl]-2-fluorobenzamide;3-cyano-N-[7-(cyclopropylamino)-3-[(E)-(2-methylidene-5-oxopyrrolidin-3-ylidene)methyl]pyrazolo[1,5-a]pyrimidin-5-yl]benzamide;N-[7-(cyclopropylamino)-3-[(E)-(2-methylidene-5-oxopyrrolidin-3-ylidene)methyl]pyrazolo[1,5-a]pyrimidin-5-yl]-4-imidazol-1-ylbenzamide;N-[7-(cyclopropylamino)-3-[(E)-(2-methylidene-5-oxopyrrolidin-3-ylidene)methyl]pyrazolo[1,5-a]pyrimidin-5-yl]-3-methoxybenzamide;N-[7-(cyclopropylamino)-3-[(E)-(2-methylidene-5-oxopyrrolidin-3-ylidene)methyl]pyrazolo[1,5-a]pyrimidin-5-yl]thiophene-2-carboxamide with MolForge

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Related Compounds

CID 159638110
CID 159638110
7-N-[(5-acetylthiophen-2-yl)methyl]-5-N-[(3-chloro-4-fluorophenyl)methyl]-3-fluoropyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-[(5-acetylthiophen-2-yl)methyl]-5-N-[[3-(difluoromethoxy)-4-fluorophenyl]methyl]-3-fluoropyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-[(5-acetylthiophen-2-yl)methyl]-5-N-[[3-(difluoromethoxy)phenyl]methyl]-3-fluoropyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-[(5-acetylthiophen-2-yl)methyl]-5-N-[(3,4-difluorophenyl)methyl]-3-fluoropyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-[(5-acetylthiophen-2-yl)methyl]-3-fluoro-5-N-[[4-fluoro-3-(trifluoromethoxy)phenyl]methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-[(5-acetylthiophen-2-yl)methyl]-3-fluoro-5-N-[[3-(trifluoromethoxy)phenyl]methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide
CID 160069943
7-N-[(5-acetylthiophen-2-yl)methyl]-5-N-[(3-chloro-4-fluorophenyl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-[(5-acetylthiophen-2-yl)methyl]-5-N-[[3-(difluoromethoxy)-4-fluorophenyl]methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-[(5-acetylthiophen-2-yl)methyl]-5-N-[[3-(difluoromethoxy)phenyl]methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-[(5-acetylthiophen-2-yl)methyl]-5-N-[[4-fluoro-3-(trifluoromethoxy)phenyl]methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-[(5-acetylthiophen-2-yl)methyl]-5-N-[[4-fluoro-3-(trifluoromethyl)phenyl]methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-[(5-acetylthiophen-2-yl)methyl]-5-N-[[3-(trifluoromethoxy)phenyl]methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide
CID 160807593
CID 161503759
CID 161503759
(3E)-3-[[6-(3-chlorophenoxy)-8-(cyclopropylamino)imidazo[1,2-b]pyridazin-3-yl]methylidene]pyrrolidine-2,5-dione;N-cyclopentyl-4-[8-(cyclopropylamino)-3-[(E)-(2,5-dioxopyrrolidin-3-ylidene)methyl]imidazo[1,2-b]pyridazin-6-yl]thiophene-2-carboxamide;(3E)-3-[[8-(cyclopropylamino)-6-[5-(2,6-dimethylmorpholine-4-carbonyl)thiophen-2-yl]imidazo[1,2-b]pyridazin-3-yl]methylidene]pyrrolidine-2,5-dione;(3E)-3-[[8-(cyclopropylamino)-6-[5-(4-methylpiperazine-1-carbonyl)thiophen-3-yl]imidazo[1,2-b]pyridazin-3-yl]methylidene]pyrrolidine-2,5-dione
CID 158034385
(5Z)-5-[[5-(3-chloroanilino)-7-(cyclopropylamino)pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-3-methyl-4-methylidene-1,3-thiazolidin-2-one;(3E)-3-[[7-(cyclopropylamino)-5-[4-fluoro-3-(morpholine-4-carbonyl)phenyl]pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylidenepyrrolidin-2-one;(3E)-3-[[7-(cyclopropylamino)-5-[4-fluoro-3-(4-propan-2-ylpiperazine-1-carbonyl)phenyl]pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylidenepyrrolidin-2-one;(5Z)-5-[[7-(cyclopropylamino)-5-(3-methoxyphenyl)pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-4-methylidene-1,3-thiazolidin-2-one;5-[7-(cyclopropylamino)-3-[(E)-(5-methylidene-2-oxopyrrolidin-3-ylidene)methyl]pyrazolo[1,5-a]pyrimidin-5-yl]-N-[2-(dimethylamino)ethyl]-2-fluorobenzamide;5-[7-(cyclopropylamino)-3-[(E)-(5-methylidene-2-oxopyrrolidin-3-ylidene)methyl]pyrazolo[1,5-a]pyrimidin-5-yl]-2-fluoro-N-(2-pyrrolidin-1-ylethyl)benzamide
CID 158666368
5-chloro-N-[7-(cyclopropylamino)-3-[(E)-(2-methylidene-5-oxopyrrolidin-3-ylidene)methyl]pyrazolo[1,5-a]pyrimidin-5-yl]-2-fluorobenzamide;3-cyano-N-[7-(cyclopropylamino)-3-[(E)-(2-methylidene-5-oxopyrrolidin-3-ylidene)methyl]pyrazolo[1,5-a]pyrimidin-5-yl]benzamide;N-[7-(cyclopropylamino)-3-[(E)-(2-methylidene-5-oxopyrrolidin-3-ylidene)methyl]pyrazolo[1,5-a]pyrimidin-5-yl]-3-fluorobenzamide;N-[7-(cyclopropylamino)-3-[(E)-(2-methylidene-5-oxopyrrolidin-3-ylidene)methyl]pyrazolo[1,5-a]pyrimidin-5-yl]-3-methoxybenzamide;N-[7-(cyclopropylamino)-3-[(E)-(2-methylidene-5-oxopyrrolidin-3-ylidene)methyl]pyrazolo[1,5-a]pyrimidin-5-yl]thiophene-2-carboxamide
CID 161176588
2-[[4-[2-(1-amino-6,7-dihydro-5H-cyclopenta[c]pyridin-5-yl)acetyl]triazol-1-yl]methyl]-6-cyclopropylimidazo[1,2-a]pyridine-8-carbonitrile;2-(1-amino-6,7-dihydro-5H-cyclopenta[c]pyridin-5-yl)-1-[1-[[8-(aminomethyl)-6-cyclopropylimidazo[1,2-a]pyridin-2-yl]methyl]triazol-4-yl]ethanone;1-[1-[[8-(aminomethyl)-6-cyclopropylimidazo[1,2-a]pyridin-2-yl]methyl]triazol-4-yl]-3-(2,6-difluoro-3-methoxyphenyl)propan-1-one;N-[(4-chlorothieno[3,2-c]pyridin-2-yl)methyl]-1-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]triazole-4-carboxamide;3-[6-cyclopropyl-2-[[4-[3-(2,6-difluoro-3-methoxyphenyl)propanoyl]triazol-1-yl]methyl]imidazo[1,2-a]pyridin-8-yl]-2,2-dimethylpropanenitrile;1-[1-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]-3,5-dimethylpyrazol-4-yl]-3-[2-fluoro-3-methoxy-6-(tetrazol-1-yl)phenyl]propan-1-one
CID 161786429

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[7-(cyclopropylamino)-3-[(E)-(2-methylidene-5-oxopyrrolidin-3-ylidene)methyl]pyrazolo[1,5-a]pyrimidin-5-yl]-2-fluorobenzamide;3-cyano-N-[7-(cyclopropylamino)-3-[(E)-(2-methylidene-5-oxopyrrolidin-3-ylidene)methyl]pyrazolo[1,5-a]pyrimidin-5-yl]benzamide;N-[7-(cyclopropylamino)-3-[(E)-(2-methylidene-5-oxopyrrolidin-3-ylidene)methyl]pyrazolo[1,5-a]pyrimidin-5-yl]-4-imidazol-1-ylbenzamide;N-[7-(cyclopropylamino)-3-[(E)-(2-methylidene-5-oxopyrrolidin-3-ylidene)methyl]pyrazolo[1,5-a]pyrimidin-5-yl]-3-methoxybenzamide;N-[7-(cyclopropylamino)-3-[(E)-(2-methylidene-5-oxopyrrolidin-3-ylidene)methyl]pyrazolo[1,5-a]pyrimidin-5-yl]thiophene-2-carboxamide?
The IUPAC name of 5-chloro-N-[7-(cyclopropylamino)-3-[(E)-(2-methylidene-5-oxopyrrolidin-3-ylidene)methyl]pyrazolo[1,5-a]pyrimidin-5-yl]-2-fluorobenzamide;3-cyano-N-[7-(cyclopropylamino)-3-[(E)-(2-methylidene-5-oxopyrrolidin-3-ylidene)methyl]pyrazolo[1,5-a]pyrimidin-5-yl]benzamide;N-[7-(cyclopropylamino)-3-[(E)-(2-methylidene-5-oxopyrrolidin-3-ylidene)methyl]pyrazolo[1,5-a]pyrimidin-5-yl]-4-imidazol-1-ylbenzamide;N-[7-(cyclopropylamino)-3-[(E)-(2-methylidene-5-oxopyrrolidin-3-ylidene)methyl]pyrazolo[1,5-a]pyrimidin-5-yl]-3-methoxybenzamide;N-[7-(cyclopropylamino)-3-[(E)-(2-methylidene-5-oxopyrrolidin-3-ylidene)methyl]pyrazolo[1,5-a]pyrimidin-5-yl]thiophene-2-carboxamide (CID 161002851) is 5-chloro-N-[7-(cyclopropylamino)-3-[(E)-(2-methylidene-5-oxopyrrolidin-3-ylidene)methyl]pyrazolo[1,5-a]pyrimidin-5-yl]-2-fluorobenzamide;3-cyano-N-[7-(cyclopropylamino)-3-[(E)-(2-methylidene-5-oxopyrrolidin-3-ylidene)methyl]pyrazolo[1,5-a]pyrimidin-5-yl]benzamide;N-[7-(cyclopropylamino)-3-[(E)-(2-methylidene-5-oxopyrrolidin-3-ylidene)methyl]pyrazolo[1,5-a]pyrimidin-5-yl]-4-imidazol-1-ylbenzamide;N-[7-(cyclopropylamino)-3-[(E)-(2-methylidene-5-oxopyrrolidin-3-ylidene)methyl]pyrazolo[1,5-a]pyrimidin-5-yl]-3-methoxybenzamide;N-[7-(cyclopropylamino)-3-[(E)-(2-methylidene-5-oxopyrrolidin-3-ylidene)methyl]pyrazolo[1,5-a]pyrimidin-5-yl]thiophene-2-carboxamide.
What is the SMILES notation for 5-chloro-N-[7-(cyclopropylamino)-3-[(E)-(2-methylidene-5-oxopyrrolidin-3-ylidene)methyl]pyrazolo[1,5-a]pyrimidin-5-yl]-2-fluorobenzamide;3-cyano-N-[7-(cyclopropylamino)-3-[(E)-(2-methylidene-5-oxopyrrolidin-3-ylidene)methyl]pyrazolo[1,5-a]pyrimidin-5-yl]benzamide;N-[7-(cyclopropylamino)-3-[(E)-(2-methylidene-5-oxopyrrolidin-3-ylidene)methyl]pyrazolo[1,5-a]pyrimidin-5-yl]-4-imidazol-1-ylbenzamide;N-[7-(cyclopropylamino)-3-[(E)-(2-methylidene-5-oxopyrrolidin-3-ylidene)methyl]pyrazolo[1,5-a]pyrimidin-5-yl]-3-methoxybenzamide;N-[7-(cyclopropylamino)-3-[(E)-(2-methylidene-5-oxopyrrolidin-3-ylidene)methyl]pyrazolo[1,5-a]pyrimidin-5-yl]thiophene-2-carboxamide?
The canonical SMILES for 5-chloro-N-[7-(cyclopropylamino)-3-[(E)-(2-methylidene-5-oxopyrrolidin-3-ylidene)methyl]pyrazolo[1,5-a]pyrimidin-5-yl]-2-fluorobenzamide;3-cyano-N-[7-(cyclopropylamino)-3-[(E)-(2-methylidene-5-oxopyrrolidin-3-ylidene)methyl]pyrazolo[1,5-a]pyrimidin-5-yl]benzamide;N-[7-(cyclopropylamino)-3-[(E)-(2-methylidene-5-oxopyrrolidin-3-ylidene)methyl]pyrazolo[1,5-a]pyrimidin-5-yl]-4-imidazol-1-ylbenzamide;N-[7-(cyclopropylamino)-3-[(E)-(2-methylidene-5-oxopyrrolidin-3-ylidene)methyl]pyrazolo[1,5-a]pyrimidin-5-yl]-3-methoxybenzamide;N-[7-(cyclopropylamino)-3-[(E)-(2-methylidene-5-oxopyrrolidin-3-ylidene)methyl]pyrazolo[1,5-a]pyrimidin-5-yl]thiophene-2-carboxamide is C=C1NC(=O)C/C1=C\c1cnn2c(NC3CC3)cc(NC(=O)c3cc(Cl)ccc3F)nc12.C=C1NC(=O)C/C1=C\c1cnn2c(NC3CC3)cc(NC(=O)c3ccc(-n4ccnc4)cc3)nc12.C=C1NC(=O)C/C1=C\c1cnn2c(NC3CC3)cc(NC(=O)c3cccc(C#N)c3)nc12.C=C1NC(=O)C/C1=C\c1cnn2c(NC3CC3)cc(NC(=O)c3cccc(OC)c3)nc12.C=C1NC(=O)C/C1=C\c1cnn2c(NC3CC3)cc(NC(=O)c3cccs3)nc12.
What is the InChIKey of 5-chloro-N-[7-(cyclopropylamino)-3-[(E)-(2-methylidene-5-oxopyrrolidin-3-ylidene)methyl]pyrazolo[1,5-a]pyrimidin-5-yl]-2-fluorobenzamide;3-cyano-N-[7-(cyclopropylamino)-3-[(E)-(2-methylidene-5-oxopyrrolidin-3-ylidene)methyl]pyrazolo[1,5-a]pyrimidin-5-yl]benzamide;N-[7-(cyclopropylamino)-3-[(E)-(2-methylidene-5-oxopyrrolidin-3-ylidene)methyl]pyrazolo[1,5-a]pyrimidin-5-yl]-4-imidazol-1-ylbenzamide;N-[7-(cyclopropylamino)-3-[(E)-(2-methylidene-5-oxopyrrolidin-3-ylidene)methyl]pyrazolo[1,5-a]pyrimidin-5-yl]-3-methoxybenzamide;N-[7-(cyclopropylamino)-3-[(E)-(2-methylidene-5-oxopyrrolidin-3-ylidene)methyl]pyrazolo[1,5-a]pyrimidin-5-yl]thiophene-2-carboxamide?
The InChIKey is TWCNRIJIYXEBMU-LVCYJFEISA-N. The full InChI is InChI=1S/C25H22N8O2.C23H19N7O2.C23H22N6O3.C22H18ClFN6O2.C20H18N6O2S/c1-15-17(11-23(34)28-15)10-18-13-27-33-22(29-19-4-5-19)12-21(30-24(18)33)31-25(35)16-2-6-20(7-3-16)32-9-8-26-14-32;1-13-16(9-21(31)26-13)8-17-12-25-30-20(27-18-5-6-18)10-19(28-22(17)30)29-23(32)15-4-2-3-14(7-15)11-24;1-13-15(10-21(30)25-13)8-16-12-24-29-20(26-17-6-7-17)11-19(27-22(16)29)28-23(31)14-4-3-5-18(9-14)32-2;1-11-12(7-20(31)26-11)6-13-10-25-30-19(27-15-3-4-15)9-18(28-21(13)30)29-22(32)16-8-14(23)2-5-17(16)24;1-11-12(8-18(27)22-11)7-13-10-21-26-17(23-14-4-5-14)9-16(24-19(13)26)25-20(28)15-3-2-6-29-15/h2-3,6-10,12-14,19,29H,1,4-5,11H2,(H,28,34)(H,30,31,35);2-4,7-8,10,12,18,27H,1,5-6,9H2,(H,26,31)(H,28,29,32);3-5,8-9,11-12,17,26H,1,6-7,10H2,2H3,(H,25,30)(H,27,28,31);2,5-6,8-10,15,27H,1,3-4,7H2,(H,26,31)(H,28,29,32);2-3,6-7,9-10,14,23H,1,4-5,8H2,(H,22,27)(H,24,25,28)/b17-10+;16-8+;15-8+;12-6+;12-7+.
What are the key properties of 5-chloro-N-[7-(cyclopropylamino)-3-[(E)-(2-methylidene-5-oxopyrrolidin-3-ylidene)methyl]pyrazolo[1,5-a]pyrimidin-5-yl]-2-fluorobenzamide;3-cyano-N-[7-(cyclopropylamino)-3-[(E)-(2-methylidene-5-oxopyrrolidin-3-ylidene)methyl]pyrazolo[1,5-a]pyrimidin-5-yl]benzamide;N-[7-(cyclopropylamino)-3-[(E)-(2-methylidene-5-oxopyrrolidin-3-ylidene)methyl]pyrazolo[1,5-a]pyrimidin-5-yl]-4-imidazol-1-ylbenzamide;N-[7-(cyclopropylamino)-3-[(E)-(2-methylidene-5-oxopyrrolidin-3-ylidene)methyl]pyrazolo[1,5-a]pyrimidin-5-yl]-3-methoxybenzamide;N-[7-(cyclopropylamino)-3-[(E)-(2-methylidene-5-oxopyrrolidin-3-ylidene)methyl]pyrazolo[1,5-a]pyrimidin-5-yl]thiophene-2-carboxamide?
5-chloro-N-[7-(cyclopropylamino)-3-[(E)-(2-methylidene-5-oxopyrrolidin-3-ylidene)methyl]pyrazolo[1,5-a]pyrimidin-5-yl]-2-fluorobenzamide;3-cyano-N-[7-(cyclopropylamino)-3-[(E)-(2-methylidene-5-oxopyrrolidin-3-ylidene)methyl]pyrazolo[1,5-a]pyrimidin-5-yl]benzamide;N-[7-(cyclopropylamino)-3-[(E)-(2-methylidene-5-oxopyrrolidin-3-ylidene)methyl]pyrazolo[1,5-a]pyrimidin-5-yl]-4-imidazol-1-ylbenzamide;N-[7-(cyclopropylamino)-3-[(E)-(2-methylidene-5-oxopyrrolidin-3-ylidene)methyl]pyrazolo[1,5-a]pyrimidin-5-yl]-3-methoxybenzamide;N-[7-(cyclopropylamino)-3-[(E)-(2-methylidene-5-oxopyrrolidin-3-ylidene)methyl]pyrazolo[1,5-a]pyrimidin-5-yl]thiophene-2-carboxamide has a molecular weight of 2181.77 g/mol, XLogP of 15.78, 27 rotatable bonds, 15 hydrogen bond donors, and 35 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[7-(cyclopropylamino)-3-[(E)-(2-methylidene-5-oxopyrrolidin-3-ylidene)methyl]pyrazolo[1,5-a]pyrimidin-5-yl]-2-fluorobenzamide;3-cyano-N-[7-(cyclopropylamino)-3-[(E)-(2-methylidene-5-oxopyrrolidin-3-ylidene)methyl]pyrazolo[1,5-a]pyrimidin-5-yl]benzamide;N-[7-(cyclopropylamino)-3-[(E)-(2-methylidene-5-oxopyrrolidin-3-ylidene)methyl]pyrazolo[1,5-a]pyrimidin-5-yl]-4-imidazol-1-ylbenzamide;N-[7-(cyclopropylamino)-3-[(E)-(2-methylidene-5-oxopyrrolidin-3-ylidene)methyl]pyrazolo[1,5-a]pyrimidin-5-yl]-3-methoxybenzamide;N-[7-(cyclopropylamino)-3-[(E)-(2-methylidene-5-oxopyrrolidin-3-ylidene)methyl]pyrazolo[1,5-a]pyrimidin-5-yl]thiophene-2-carboxamide is sourced from PubChem (CID 161002851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).