1-[7-(cyclopropylamino)-3-[(E)-(2-methylidene-5-oxopyrrolidin-3-ylidene)methyl]pyrazolo[1,5-a]pyrimidin-5-yl]-3-ethylurea;N-[7-(cyclopropylamino)-3-[(E)-(2-methylidene-5-oxopyrrolidin-3-ylidene)methyl]pyrazolo[1,5-a]pyrimidin-5-yl]-3-fluoropyridine-4-carboxamide;1-[7-(cyclopropylamino)-3-[(E)-(2-methylidene-5-oxopyrrolidin-3-ylidene)methyl]pyrazolo[1,5-a]pyrimidin-5-yl]-3-propan-2-ylurea;N-[7-(cyclopropylamino)-3-[(E)-(2-methylidene-5-oxopyrrolidin-3-ylidene)methyl]pyrazolo[1,5-a]pyrimidin-5-yl]pyrimidine-4-carboxamide;N-[7-(cyclopropylamino)-3-[(E)-(2-methylidene-5-oxopyrrolidin-3-ylidene)methyl]pyrazolo[1,5-a]pyrimidin-5-yl]-1,2-thiazole-4-carboxamide

C97H97FN36O10S — CID 157210933

IUPAC1-[7-(cyclopropylamino)-3-[(E)-(2-methylidene-5-oxopyrrolidin-3-ylidene)methyl]pyrazolo[1,5-a]pyrimidin-5-yl]-3-ethylurea;N-[7-(cyclopropylamino)-3-[(E)-(2-methylidene-5-oxopyrrolidin-3-ylidene)methyl]pyrazolo[1,5-a]pyrimidin-5-yl]-3-fluoropyridine-4-carboxamide;1-[7-(cyclopropylamino)-3-[(E)-(2-methylidene-5-oxopyrrolidin-3-ylidene)methyl]pyrazolo[1,5-a]pyrimidin-5-yl]-3-propan-2-ylurea;N-[7-(cyclopropylamino)-3-[(E)-(2-methylidene-5-oxopyrrolidin-3-ylidene)methyl]pyrazolo[1,5-a]pyrimidin-5-yl]pyrimidine-4-carboxamide;N-[7-(cyclopropylamino)-3-[(E)-(2-methylidene-5-oxopyrrolidin-3-ylidene)methyl]pyrazolo[1,5-a]pyrimidin-5-yl]-1,2-thiazole-4-carboxamide
SMILESC=C1NC(=O)C/C1=C\c1cnn2c(NC3CC3)cc(NC(=O)NC(C)C)nc12.C=C1NC(=O)C/C1=C\c1cnn2c(NC3CC3)cc(NC(=O)NCC)nc12.C=C1NC(=O)C/C1=C\c1cnn2c(NC3CC3)cc(NC(=O)c3ccncc3F)nc12.C=C1NC(=O)C/C1=C\c1cnn2c(NC3CC3)cc(NC(=O)c3ccncn3)nc12.C=C1NC(=O)C/C1=C\c1cnn2c(NC3CC3)cc(NC(=O)c3cnsc3)nc12
InChIInChI=1S/C21H18FN7O2.C20H18N8O2.C19H17N7O2S.C19H23N7O2.C18H21N7O2/c1-11-12(7-19(30)25-11)6-13-9-24-29-18(26-14-2-3-14)8-17(27-20(13)29)28-21(31)15-4-5-23-10-16(15)22;1-11-12(7-18(29)24-11)6-13-9-23-28-17(25-14-2-3-14)8-16(26-19(13)28)27-20(30)15-4-5-21-10-22-15;1-10-11(5-17(27)22-10)4-12-7-20-26-16(23-14-2-3-14)6-15(24-18(12)26)25-19(28)13-8-21-29-9-13;1-10(2)21-19(28)25-15-8-16(23-14-4-5-14)26-18(24-15)13(9-20-26)6-12-7-17(27)22-11(12)3;1-3-19-18(27)24-14-8-15(22-13-4-5-13)25-17(23-14)12(9-20-25)6-11-7-16(26)21-10(11)2/h4-6,8-10,14,26H,1-3,7H2,(H,25,30)(H,27,28,31);4-6,8-10,14,25H,1-3,7H2,(H,24,29)(H,26,27,30);4,6-9,14,23H,1-3,5H2,(H,22,27)(H,24,25,28);6,8-10,14,23H,3-5,7H2,1-2H3,(H,22,27)(H2,21,24,25,28);6,8-9,13,22H,2-5,7H2,1H3,(H,21,26)(H2,19,23,24,27)/b2*12-6+;11-4+;12-6+;11-6+
InChIKeyARWPQYHRTQKJMA-GSHHTXCASA-N
MW1978.15 g/mol
LogP10.81
Rot. Bonds25

About 1-[7-(cyclopropylamino)-3-[(E)-(2-methylidene-5-oxopyrrolidin-3-ylidene)methyl]pyrazolo[1,5-a]pyrimidin-5-yl]-3-ethylurea;N-[7-(cyclopropylamino)-3-[(E)-(2-methylidene-5-oxopyrrolidin-3-ylidene)methyl]pyrazolo[1,5-a]pyrimidin-5-yl]-3-fluoropyridine-4-carboxamide;1-[7-(cyclopropylamino)-3-[(E)-(2-methylidene-5-oxopyrrolidin-3-ylidene)methyl]pyrazolo[1,5-a]pyrimidin-5-yl]-3-propan-2-ylurea;N-[7-(cyclopropylamino)-3-[(E)-(2-methylidene-5-oxopyrrolidin-3-ylidene)methyl]pyrazolo[1,5-a]pyrimidin-5-yl]pyrimidine-4-carboxamide;N-[7-(cyclopropylamino)-3-[(E)-(2-methylidene-5-oxopyrrolidin-3-ylidene)methyl]pyrazolo[1,5-a]pyrimidin-5-yl]-1,2-thiazole-4-carboxamide

1-[7-(cyclopropylamino)-3-[(E)-(2-methylidene-5-oxopyrrolidin-3-ylidene)methyl]pyrazolo[1,5-a]pyrimidin-5-yl]-3-ethylurea;N-[7-(cyclopropylamino)-3-[(E)-(2-methylidene-5-oxopyrrolidin-3-ylidene)methyl]pyrazolo[1,5-a]pyrimidin-5-yl]-3-fluoropyridine-4-carboxamide;1-[7-(cyclopropylamino)-3-[(E)-(2-methylidene-5-oxopyrrolidin-3-ylidene)methyl]pyrazolo[1,5-a]pyrimidin-5-yl]-3-propan-2-ylurea;N-[7-(cyclopropylamino)-3-[(E)-(2-methylidene-5-oxopyrrolidin-3-ylidene)methyl]pyrazolo[1,5-a]pyrimidin-5-yl]pyrimidine-4-carboxamide;N-[7-(cyclopropylamino)-3-[(E)-(2-methylidene-5-oxopyrrolidin-3-ylidene)methyl]pyrazolo[1,5-a]pyrimidin-5-yl]-1,2-thiazole-4-carboxamide (PubChem CID 157210933) has the molecular formula C97H97FN36O10S and a molecular weight of 1978.15 g/mol. Its IUPAC name is 1-[7-(cyclopropylamino)-3-[(E)-(2-methylidene-5-oxopyrrolidin-3-ylidene)methyl]pyrazolo[1,5-a]pyrimidin-5-yl]-3-ethylurea;N-[7-(cyclopropylamino)-3-[(E)-(2-methylidene-5-oxopyrrolidin-3-ylidene)methyl]pyrazolo[1,5-a]pyrimidin-5-yl]-3-fluoropyridine-4-carboxamide;1-[7-(cyclopropylamino)-3-[(E)-(2-methylidene-5-oxopyrrolidin-3-ylidene)methyl]pyrazolo[1,5-a]pyrimidin-5-yl]-3-propan-2-ylurea;N-[7-(cyclopropylamino)-3-[(E)-(2-methylidene-5-oxopyrrolidin-3-ylidene)methyl]pyrazolo[1,5-a]pyrimidin-5-yl]pyrimidine-4-carboxamide;N-[7-(cyclopropylamino)-3-[(E)-(2-methylidene-5-oxopyrrolidin-3-ylidene)methyl]pyrazolo[1,5-a]pyrimidin-5-yl]-1,2-thiazole-4-carboxamide.

Molecular Properties

Compound Name1-[7-(cyclopropylamino)-3-[(E)-(2-methylidene-5-oxopyrrolidin-3-ylidene)methyl]pyrazolo[1,5-a]pyrimidin-5-yl]-3-ethylurea;N-[7-(cyclopropylamino)-3-[(E)-(2-methylidene-5-oxopyrrolidin-3-ylidene)methyl]pyrazolo[1,5-a]pyrimidin-5-yl]-3-fluoropyridine-4-carboxamide;1-[7-(cyclopropylamino)-3-[(E)-(2-methylidene-5-oxopyrrolidin-3-ylidene)methyl]pyrazolo[1,5-a]pyrimidin-5-yl]-3-propan-2-ylurea;N-[7-(cyclopropylamino)-3-[(E)-(2-methylidene-5-oxopyrrolidin-3-ylidene)methyl]pyrazolo[1,5-a]pyrimidin-5-yl]pyrimidine-4-carboxamide;N-[7-(cyclopropylamino)-3-[(E)-(2-methylidene-5-oxopyrrolidin-3-ylidene)methyl]pyrazolo[1,5-a]pyrimidin-5-yl]-1,2-thiazole-4-carboxamide
PubChem CID157210933
Molecular FormulaC97H97FN36O10S
Molecular Weight1978.15 g/mol
Exact Mass1976.79
IUPAC Name1-[7-(cyclopropylamino)-3-[(E)-(2-methylidene-5-oxopyrrolidin-3-ylidene)methyl]pyrazolo[1,5-a]pyrimidin-5-yl]-3-ethylurea;N-[7-(cyclopropylamino)-3-[(E)-(2-methylidene-5-oxopyrrolidin-3-ylidene)methyl]pyrazolo[1,5-a]pyrimidin-5-yl]-3-fluoropyridine-4-carboxamide;1-[7-(cyclopropylamino)-3-[(E)-(2-methylidene-5-oxopyrrolidin-3-ylidene)methyl]pyrazolo[1,5-a]pyrimidin-5-yl]-3-propan-2-ylurea;N-[7-(cyclopropylamino)-3-[(E)-(2-methylidene-5-oxopyrrolidin-3-ylidene)methyl]pyrazolo[1,5-a]pyrimidin-5-yl]pyrimidine-4-carboxamide;N-[7-(cyclopropylamino)-3-[(E)-(2-methylidene-5-oxopyrrolidin-3-ylidene)methyl]pyrazolo[1,5-a]pyrimidin-5-yl]-1,2-thiazole-4-carboxamide
SMILESC=C1NC(=O)C/C1=C\c1cnn2c(NC3CC3)cc(NC(=O)NC(C)C)nc12.C=C1NC(=O)C/C1=C\c1cnn2c(NC3CC3)cc(NC(=O)NCC)nc12.C=C1NC(=O)C/C1=C\c1cnn2c(NC3CC3)cc(NC(=O)c3ccncc3F)nc12.C=C1NC(=O)C/C1=C\c1cnn2c(NC3CC3)cc(NC(=O)c3ccncn3)nc12.C=C1NC(=O)C/C1=C\c1cnn2c(NC3CC3)cc(NC(=O)c3cnsc3)nc12
InChIInChI=1S/C21H18FN7O2.C20H18N8O2.C19H17N7O2S.C19H23N7O2.C18H21N7O2/c1-11-12(7-19(30)25-11)6-13-9-24-29-18(26-14-2-3-14)8-17(27-20(13)29)28-21(31)15-4-5-23-10-16(15)22;1-11-12(7-18(29)24-11)6-13-9-23-28-17(25-14-2-3-14)8-16(26-19(13)28)27-20(30)15-4-5-21-10-22-15;1-10-11(5-17(27)22-10)4-12-7-20-26-16(23-14-2-3-14)6-15(24-18(12)26)25-19(28)13-8-21-29-9-13;1-10(2)21-19(28)25-15-8-16(23-14-4-5-14)26-18(24-15)13(9-20-26)6-12-7-17(27)22-11(12)3;1-3-19-18(27)24-14-8-15(22-13-4-5-13)25-17(23-14)12(9-20-25)6-11-7-16(26)21-10(11)2/h4-6,8-10,14,26H,1-3,7H2,(H,25,30)(H,27,28,31);4-6,8-10,14,25H,1-3,7H2,(H,24,29)(H,26,27,30);4,6-9,14,23H,1-3,5H2,(H,22,27)(H,24,25,28);6,8-10,14,23H,3-5,7H2,1-2H3,(H,22,27)(H2,21,24,25,28);6,8-9,13,22H,2-5,7H2,1H3,(H,21,26)(H2,19,23,24,27)/b2*12-6+;11-4+;12-6+;11-6+
InChIKeyARWPQYHRTQKJMA-GSHHTXCASA-N
XLogP10.81
TPSA577.72 Ų
H-Bond Donors17
H-Bond Acceptors35
Rotatable Bonds25
Heavy Atoms145
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001978.15
LogP ≤ 510.81
H-Bond Donors ≤ 517
H-Bond Acceptors ≤ 1035

Analyze 1-[7-(cyclopropylamino)-3-[(E)-(2-methylidene-5-oxopyrrolidin-3-ylidene)methyl]pyrazolo[1,5-a]pyrimidin-5-yl]-3-ethylurea;N-[7-(cyclopropylamino)-3-[(E)-(2-methylidene-5-oxopyrrolidin-3-ylidene)methyl]pyrazolo[1,5-a]pyrimidin-5-yl]-3-fluoropyridine-4-carboxamide;1-[7-(cyclopropylamino)-3-[(E)-(2-methylidene-5-oxopyrrolidin-3-ylidene)methyl]pyrazolo[1,5-a]pyrimidin-5-yl]-3-propan-2-ylurea;N-[7-(cyclopropylamino)-3-[(E)-(2-methylidene-5-oxopyrrolidin-3-ylidene)methyl]pyrazolo[1,5-a]pyrimidin-5-yl]pyrimidine-4-carboxamide;N-[7-(cyclopropylamino)-3-[(E)-(2-methylidene-5-oxopyrrolidin-3-ylidene)methyl]pyrazolo[1,5-a]pyrimidin-5-yl]-1,2-thiazole-4-carboxamide with MolForge

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Related Compounds

CID 160716108
CID 160716108
N-[(1S)-1-cyclopropyl-2,2,2-trifluoroethyl]-5-(2-fluoro-5-methyl-3-pyridinyl)-7-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[(1R)-1-cyclopropyl-2,2,2-trifluoroethyl]-5-(5-fluoro-2-methyl-3-pyridinyl)-7-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[(1S)-1-cyclopropyl-2,2,2-trifluoroethyl]-5-(5-fluoro-2-methyl-3-pyridinyl)-7-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[(1R)-1-cyclopropyl-2,2,2-trifluoroethyl]-5-(5-fluoro-6-methyl-3-pyridinyl)-7-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[(1S)-1-cyclopropyl-2,2,2-trifluoroethyl]-5-(5-fluoro-6-methyl-3-pyridinyl)-7-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[(1R)-1-cyclopropyl-2,2,2-trifluoroethyl]-7-methyl-5-(2-methyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[(1S)-1-cyclopropyl-2,2,2-trifluoroethyl]-7-methyl-5-(2-methyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 163546851
N-[(1S)-1-cyclopropylethyl]-5-methyl-7-piperidin-1-ylpyrazolo[1,5-a]pyrimidine-3-carboxamide;N-(1-cyclopropylethyl)-7-methyl-5-piperidin-1-ylpyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[(1S)-1-cyclopropylethyl]-5-methyl-7-pyridin-4-ylpyrazolo[1,5-a]pyrimidine-3-carboxamide;N-(1-cyclopropylethyl)-7-methyl-5-pyridin-4-ylpyrazolo[1,5-a]pyrimidine-3-carboxamide;N-(1-cyclopropyl-2,2,2-trifluoroethyl)-7-methyl-5-pyridin-2-ylpyrazolo[1,5-a]pyrimidine-3-carboxamide;N-(1-cyclopropyl-2,2,2-trifluoroethyl)-7-methyl-5-pyridin-3-ylpyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 163601114
5-(3-chloro-2-pyridinyl)-N-(1-cyclopropyl-2,2,2-trifluoroethyl)-7-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[(1S)-1-cyclopropylethyl]-7-methyl-5-(1,2-thiazol-5-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[(1R)-1-cyclopropylethyl]-7-methyl-5-(1,2-thiazol-5-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-(1-cyclopropyl-2,2,2-trifluoroethyl)-5-(3-fluoro-2-pyridinyl)-7-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide;N-(1-cyclopropyl-2,2,2-trifluoroethyl)-5-(4-fluoro-2-pyridinyl)-7-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide;N-(1-cyclopropyl-2,2,2-trifluoroethyl)-5-(5-fluoro-2-pyridinyl)-7-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 164078740
4-N-cyclopropyl-4-N,1-dimethyl-5-N-(2-pyridin-3-yl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)pyrazole-4,5-dicarboxamide;1-methyl-N-(2-pyridin-3-yl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-4-(pyrrolidine-1-carbonyl)pyrazole-5-carboxamide
CID 89464826
N-[3-[1-(cyclopropylmethyl)piperidin-4-yl]-1-(5-methyl-2-pyridinyl)pyrazol-5-yl]-7-[3-[4-[1-(3,5-dimethyl-2-pyridinyl)-5-[(2-pyrazolo[1,5-a]pyrimidin-3-ylacetyl)amino]pyrazol-3-yl]piperidin-1-yl]propyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 123155984
N-cyclobutyl-7-(methylamino)-5-(1-propan-2-ylpyrrolo[2,3-b]pyridin-3-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-cyclopropyl-7-(methylamino)-5-(1-propan-2-ylpyrrolo[2,3-b]pyridin-3-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-[(1S,2R)-2-fluorocyclopropyl]-7-(methylamino)-5-(1-propan-2-ylpyrrolo[2,3-b]pyridin-3-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide;7-(methylamino)-5-(5-methyl-1-propan-2-ylpyrrolo[2,3-b]pyridin-3-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide;7-(methylamino)-5-(1-propan-2-ylpyrrolo[2,3-b]pyridin-3-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 157312218
(4S,6R,15R)-4,9-difluoro-15,19-dimethyl-2,11,16,20,21,24-hexazapentacyclo[16.5.2.02,6.07,12.021,25]pentacosa-1(24),7(12),8,10,18(25),19,22-heptaen-17-one;(4S,6R,15S)-4,9-difluoro-15,19-dimethyl-2,11,16,20,21,24-hexazapentacyclo[16.5.2.02,6.07,12.021,25]pentacosa-1(24),7(12),8,10,18(25),19,22-heptaen-17-one;(4S,6R)-4,9-difluoro-19-methyl-2,11,16,20,21,24-hexazapentacyclo[16.5.2.02,6.07,12.021,25]pentacosa-1(24),7(12),8,10,18(25),19,22-heptaen-17-one;(4R,6R)-4,9-difluoro-18-methyl-2,11,15,19,20,23-hexazapentacyclo[15.5.2.17,11.02,6.020,24]pentacosa-1(23),7,9,17(24),18,21-hexaene-16,25-dione;(6R,15R)-9-fluoro-15,19-dimethyl-2,11,16,20,21,24-hexazapentacyclo[16.5.2.02,6.07,12.021,25]pentacosa-1(24),7(12),8,10,18(25),19,22-heptaen-17-one;(6R)-9-fluoro-20-methyl-2,11,17,21,22,25-hexazapentacyclo[17.5.2.02,6.07,12.022,26]hexacosa-1(25),7(12),8,10,19(26),20,23-heptaen-18-one
CID 157380904
5-amino-1-propan-2-ylimidazole-4-carboxamide;9-tert-butyl-2-fluoropurin-6-amine;3-tert-butyl-N-methylimidazo[4,5-b]pyridin-7-amine;9-tert-butyl-2-methylpurine;3-tert-butyl-7-methylsulfanylimidazo[4,5-b]pyridine;9-tert-butylpurine-2,6-diamine;9-tert-butyl-3H-purine-6-thione;2-chloro-9-propan-2-ylpurin-6-amine;2,5-dimethyl-7-propan-2-yl-3H-pyrrolo[2,3-d]pyrimidin-4-one;2-methyl-9-propan-2-yl-1H-purin-6-one;5-methyl-3-propan-2-yl-6H-triazolo[4,5-d]pyrimidin-7-one;3-propan-2-ylimidazo[4,5-b]pyridin-7-amine;3-propan-2-yl-6H-imidazo[4,5-b]pyridin-7-one;3-propan-2-yltriazolo[4,5-b]pyridin-7-amine
CID 157881987
8-fluoro-2-methyl-9-propan-2-yl-1H-purin-6-one;5-fluoro-2-methyl-7-propan-2-yl-3H-pyrrolo[2,3-d]pyrimidin-4-one;8-fluoro-9-propan-2-ylpurin-6-amine;methane;2-methyl-7-propan-2-yl-4a,7a-dihydro-3H-pyrrolo[2,3-d]pyrimidin-4-one;5-methyl-3-propan-2-ylimidazo[4,5-b]pyridin-7-amine;5-methyl-3-propan-2-yl-4H-imidazo[4,5-b]pyridin-7-one;2-methyl-9-propan-2-ylpurin-6-amine;tetrakis(2-methyl-9-propan-2-yl-1H-purin-6-one);1-propan-2-yl-5H-pyrrolo[2,3-d]pyridazin-4-one;3-propan-2-yl-7H-[1,2,4]triazolo[4,3-a]pyrazin-8-one;3-propan-2-yl-[1,2,4]triazolo[4,3-b]pyridazin-8-amine
CID 158030937
CID 158036809
CID 158036809
5-amino-1-propan-2-ylimidazole-4-carboxamide;2,5-dimethyl-7-propan-2-yl-3H-pyrrolo[2,3-d]pyrimidin-4-one;2-methyl-6-methylsulfanyl-9-propan-2-ylpurine;N-methyl-3-propan-2-ylimidazo[4,5-b]pyridin-7-amine;tris(2-methyl-9-propan-2-ylpurin-6-amine);2-methyl-9-propan-2-ylpurine;2-methyl-9-propan-2-yl-1H-purin-6-one;5-methyl-7-propan-2-ylpyrrolo[2,3-d]pyrimidin-4-amine;5-methyl-3-propan-2-yl-6H-triazolo[4,5-d]pyrimidin-7-one;7-methylsulfanyl-3-propan-2-ylimidazo[4,5-b]pyridine;9-propan-2-ylpurin-6-amine;9-propan-2-yl-3H-purine-6-thione;9-propan-2-yl-1H-purin-6-one;3-propan-2-yltriazolo[4,5-d]pyrimidin-7-amine
CID 158145684

Frequently Asked Questions

What is the IUPAC name of 1-[7-(cyclopropylamino)-3-[(E)-(2-methylidene-5-oxopyrrolidin-3-ylidene)methyl]pyrazolo[1,5-a]pyrimidin-5-yl]-3-ethylurea;N-[7-(cyclopropylamino)-3-[(E)-(2-methylidene-5-oxopyrrolidin-3-ylidene)methyl]pyrazolo[1,5-a]pyrimidin-5-yl]-3-fluoropyridine-4-carboxamide;1-[7-(cyclopropylamino)-3-[(E)-(2-methylidene-5-oxopyrrolidin-3-ylidene)methyl]pyrazolo[1,5-a]pyrimidin-5-yl]-3-propan-2-ylurea;N-[7-(cyclopropylamino)-3-[(E)-(2-methylidene-5-oxopyrrolidin-3-ylidene)methyl]pyrazolo[1,5-a]pyrimidin-5-yl]pyrimidine-4-carboxamide;N-[7-(cyclopropylamino)-3-[(E)-(2-methylidene-5-oxopyrrolidin-3-ylidene)methyl]pyrazolo[1,5-a]pyrimidin-5-yl]-1,2-thiazole-4-carboxamide?
The IUPAC name of 1-[7-(cyclopropylamino)-3-[(E)-(2-methylidene-5-oxopyrrolidin-3-ylidene)methyl]pyrazolo[1,5-a]pyrimidin-5-yl]-3-ethylurea;N-[7-(cyclopropylamino)-3-[(E)-(2-methylidene-5-oxopyrrolidin-3-ylidene)methyl]pyrazolo[1,5-a]pyrimidin-5-yl]-3-fluoropyridine-4-carboxamide;1-[7-(cyclopropylamino)-3-[(E)-(2-methylidene-5-oxopyrrolidin-3-ylidene)methyl]pyrazolo[1,5-a]pyrimidin-5-yl]-3-propan-2-ylurea;N-[7-(cyclopropylamino)-3-[(E)-(2-methylidene-5-oxopyrrolidin-3-ylidene)methyl]pyrazolo[1,5-a]pyrimidin-5-yl]pyrimidine-4-carboxamide;N-[7-(cyclopropylamino)-3-[(E)-(2-methylidene-5-oxopyrrolidin-3-ylidene)methyl]pyrazolo[1,5-a]pyrimidin-5-yl]-1,2-thiazole-4-carboxamide (CID 157210933) is 1-[7-(cyclopropylamino)-3-[(E)-(2-methylidene-5-oxopyrrolidin-3-ylidene)methyl]pyrazolo[1,5-a]pyrimidin-5-yl]-3-ethylurea;N-[7-(cyclopropylamino)-3-[(E)-(2-methylidene-5-oxopyrrolidin-3-ylidene)methyl]pyrazolo[1,5-a]pyrimidin-5-yl]-3-fluoropyridine-4-carboxamide;1-[7-(cyclopropylamino)-3-[(E)-(2-methylidene-5-oxopyrrolidin-3-ylidene)methyl]pyrazolo[1,5-a]pyrimidin-5-yl]-3-propan-2-ylurea;N-[7-(cyclopropylamino)-3-[(E)-(2-methylidene-5-oxopyrrolidin-3-ylidene)methyl]pyrazolo[1,5-a]pyrimidin-5-yl]pyrimidine-4-carboxamide;N-[7-(cyclopropylamino)-3-[(E)-(2-methylidene-5-oxopyrrolidin-3-ylidene)methyl]pyrazolo[1,5-a]pyrimidin-5-yl]-1,2-thiazole-4-carboxamide.
What is the SMILES notation for 1-[7-(cyclopropylamino)-3-[(E)-(2-methylidene-5-oxopyrrolidin-3-ylidene)methyl]pyrazolo[1,5-a]pyrimidin-5-yl]-3-ethylurea;N-[7-(cyclopropylamino)-3-[(E)-(2-methylidene-5-oxopyrrolidin-3-ylidene)methyl]pyrazolo[1,5-a]pyrimidin-5-yl]-3-fluoropyridine-4-carboxamide;1-[7-(cyclopropylamino)-3-[(E)-(2-methylidene-5-oxopyrrolidin-3-ylidene)methyl]pyrazolo[1,5-a]pyrimidin-5-yl]-3-propan-2-ylurea;N-[7-(cyclopropylamino)-3-[(E)-(2-methylidene-5-oxopyrrolidin-3-ylidene)methyl]pyrazolo[1,5-a]pyrimidin-5-yl]pyrimidine-4-carboxamide;N-[7-(cyclopropylamino)-3-[(E)-(2-methylidene-5-oxopyrrolidin-3-ylidene)methyl]pyrazolo[1,5-a]pyrimidin-5-yl]-1,2-thiazole-4-carboxamide?
The canonical SMILES for 1-[7-(cyclopropylamino)-3-[(E)-(2-methylidene-5-oxopyrrolidin-3-ylidene)methyl]pyrazolo[1,5-a]pyrimidin-5-yl]-3-ethylurea;N-[7-(cyclopropylamino)-3-[(E)-(2-methylidene-5-oxopyrrolidin-3-ylidene)methyl]pyrazolo[1,5-a]pyrimidin-5-yl]-3-fluoropyridine-4-carboxamide;1-[7-(cyclopropylamino)-3-[(E)-(2-methylidene-5-oxopyrrolidin-3-ylidene)methyl]pyrazolo[1,5-a]pyrimidin-5-yl]-3-propan-2-ylurea;N-[7-(cyclopropylamino)-3-[(E)-(2-methylidene-5-oxopyrrolidin-3-ylidene)methyl]pyrazolo[1,5-a]pyrimidin-5-yl]pyrimidine-4-carboxamide;N-[7-(cyclopropylamino)-3-[(E)-(2-methylidene-5-oxopyrrolidin-3-ylidene)methyl]pyrazolo[1,5-a]pyrimidin-5-yl]-1,2-thiazole-4-carboxamide is C=C1NC(=O)C/C1=C\c1cnn2c(NC3CC3)cc(NC(=O)NC(C)C)nc12.C=C1NC(=O)C/C1=C\c1cnn2c(NC3CC3)cc(NC(=O)NCC)nc12.C=C1NC(=O)C/C1=C\c1cnn2c(NC3CC3)cc(NC(=O)c3ccncc3F)nc12.C=C1NC(=O)C/C1=C\c1cnn2c(NC3CC3)cc(NC(=O)c3ccncn3)nc12.C=C1NC(=O)C/C1=C\c1cnn2c(NC3CC3)cc(NC(=O)c3cnsc3)nc12.
What is the InChIKey of 1-[7-(cyclopropylamino)-3-[(E)-(2-methylidene-5-oxopyrrolidin-3-ylidene)methyl]pyrazolo[1,5-a]pyrimidin-5-yl]-3-ethylurea;N-[7-(cyclopropylamino)-3-[(E)-(2-methylidene-5-oxopyrrolidin-3-ylidene)methyl]pyrazolo[1,5-a]pyrimidin-5-yl]-3-fluoropyridine-4-carboxamide;1-[7-(cyclopropylamino)-3-[(E)-(2-methylidene-5-oxopyrrolidin-3-ylidene)methyl]pyrazolo[1,5-a]pyrimidin-5-yl]-3-propan-2-ylurea;N-[7-(cyclopropylamino)-3-[(E)-(2-methylidene-5-oxopyrrolidin-3-ylidene)methyl]pyrazolo[1,5-a]pyrimidin-5-yl]pyrimidine-4-carboxamide;N-[7-(cyclopropylamino)-3-[(E)-(2-methylidene-5-oxopyrrolidin-3-ylidene)methyl]pyrazolo[1,5-a]pyrimidin-5-yl]-1,2-thiazole-4-carboxamide?
The InChIKey is ARWPQYHRTQKJMA-GSHHTXCASA-N. The full InChI is InChI=1S/C21H18FN7O2.C20H18N8O2.C19H17N7O2S.C19H23N7O2.C18H21N7O2/c1-11-12(7-19(30)25-11)6-13-9-24-29-18(26-14-2-3-14)8-17(27-20(13)29)28-21(31)15-4-5-23-10-16(15)22;1-11-12(7-18(29)24-11)6-13-9-23-28-17(25-14-2-3-14)8-16(26-19(13)28)27-20(30)15-4-5-21-10-22-15;1-10-11(5-17(27)22-10)4-12-7-20-26-16(23-14-2-3-14)6-15(24-18(12)26)25-19(28)13-8-21-29-9-13;1-10(2)21-19(28)25-15-8-16(23-14-4-5-14)26-18(24-15)13(9-20-26)6-12-7-17(27)22-11(12)3;1-3-19-18(27)24-14-8-15(22-13-4-5-13)25-17(23-14)12(9-20-25)6-11-7-16(26)21-10(11)2/h4-6,8-10,14,26H,1-3,7H2,(H,25,30)(H,27,28,31);4-6,8-10,14,25H,1-3,7H2,(H,24,29)(H,26,27,30);4,6-9,14,23H,1-3,5H2,(H,22,27)(H,24,25,28);6,8-10,14,23H,3-5,7H2,1-2H3,(H,22,27)(H2,21,24,25,28);6,8-9,13,22H,2-5,7H2,1H3,(H,21,26)(H2,19,23,24,27)/b2*12-6+;11-4+;12-6+;11-6+.
What are the key properties of 1-[7-(cyclopropylamino)-3-[(E)-(2-methylidene-5-oxopyrrolidin-3-ylidene)methyl]pyrazolo[1,5-a]pyrimidin-5-yl]-3-ethylurea;N-[7-(cyclopropylamino)-3-[(E)-(2-methylidene-5-oxopyrrolidin-3-ylidene)methyl]pyrazolo[1,5-a]pyrimidin-5-yl]-3-fluoropyridine-4-carboxamide;1-[7-(cyclopropylamino)-3-[(E)-(2-methylidene-5-oxopyrrolidin-3-ylidene)methyl]pyrazolo[1,5-a]pyrimidin-5-yl]-3-propan-2-ylurea;N-[7-(cyclopropylamino)-3-[(E)-(2-methylidene-5-oxopyrrolidin-3-ylidene)methyl]pyrazolo[1,5-a]pyrimidin-5-yl]pyrimidine-4-carboxamide;N-[7-(cyclopropylamino)-3-[(E)-(2-methylidene-5-oxopyrrolidin-3-ylidene)methyl]pyrazolo[1,5-a]pyrimidin-5-yl]-1,2-thiazole-4-carboxamide?
1-[7-(cyclopropylamino)-3-[(E)-(2-methylidene-5-oxopyrrolidin-3-ylidene)methyl]pyrazolo[1,5-a]pyrimidin-5-yl]-3-ethylurea;N-[7-(cyclopropylamino)-3-[(E)-(2-methylidene-5-oxopyrrolidin-3-ylidene)methyl]pyrazolo[1,5-a]pyrimidin-5-yl]-3-fluoropyridine-4-carboxamide;1-[7-(cyclopropylamino)-3-[(E)-(2-methylidene-5-oxopyrrolidin-3-ylidene)methyl]pyrazolo[1,5-a]pyrimidin-5-yl]-3-propan-2-ylurea;N-[7-(cyclopropylamino)-3-[(E)-(2-methylidene-5-oxopyrrolidin-3-ylidene)methyl]pyrazolo[1,5-a]pyrimidin-5-yl]pyrimidine-4-carboxamide;N-[7-(cyclopropylamino)-3-[(E)-(2-methylidene-5-oxopyrrolidin-3-ylidene)methyl]pyrazolo[1,5-a]pyrimidin-5-yl]-1,2-thiazole-4-carboxamide has a molecular weight of 1978.15 g/mol, XLogP of 10.81, 25 rotatable bonds, 17 hydrogen bond donors, and 35 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[7-(cyclopropylamino)-3-[(E)-(2-methylidene-5-oxopyrrolidin-3-ylidene)methyl]pyrazolo[1,5-a]pyrimidin-5-yl]-3-ethylurea;N-[7-(cyclopropylamino)-3-[(E)-(2-methylidene-5-oxopyrrolidin-3-ylidene)methyl]pyrazolo[1,5-a]pyrimidin-5-yl]-3-fluoropyridine-4-carboxamide;1-[7-(cyclopropylamino)-3-[(E)-(2-methylidene-5-oxopyrrolidin-3-ylidene)methyl]pyrazolo[1,5-a]pyrimidin-5-yl]-3-propan-2-ylurea;N-[7-(cyclopropylamino)-3-[(E)-(2-methylidene-5-oxopyrrolidin-3-ylidene)methyl]pyrazolo[1,5-a]pyrimidin-5-yl]pyrimidine-4-carboxamide;N-[7-(cyclopropylamino)-3-[(E)-(2-methylidene-5-oxopyrrolidin-3-ylidene)methyl]pyrazolo[1,5-a]pyrimidin-5-yl]-1,2-thiazole-4-carboxamide is sourced from PubChem (CID 157210933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).