5-amino-1-benzyl-3-methylpyridin-2-one;4-bromo-1-methylpyrazole;ethyl 5-[(1-benzyl-5-methyl-6-oxo-3-pyridinyl)amino]-7-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxylate;ethyl 5-chloro-7-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxylate;ethyl 7-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-5-[[5-methyl-1-(1-methylpyrazol-4-yl)-6-oxo-3-pyridinyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxylate;ethyl 7-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-5-[(5-methyl-6-oxo-1H-pyridin-3-yl)amino]pyrazolo[1,5-a]pyrimidine-3-carboxylate;7-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-5-[[5-methyl-1-(1-methylpyrazol-4-yl)-6-oxo-3-pyridinyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxylic acid

C129H152BrClN36O25 — CID 158116620

IUPAC5-amino-1-benzyl-3-methylpyridin-2-one;4-bromo-1-methylpyrazole;ethyl 5-[(1-benzyl-5-methyl-6-oxo-3-pyridinyl)amino]-7-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxylate;ethyl 5-chloro-7-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxylate;ethyl 7-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-5-[[5-methyl-1-(1-methylpyrazol-4-yl)-6-oxo-3-pyridinyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxylate;ethyl 7-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-5-[(5-methyl-6-oxo-1H-pyridin-3-yl)amino]pyrazolo[1,5-a]pyrimidine-3-carboxylate;7-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-5-[[5-methyl-1-(1-methylpyrazol-4-yl)-6-oxo-3-pyridinyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxylic acid
SMILESCCOC(=O)c1cnn2c(N(C)C(=O)OC(C)(C)C)cc(Cl)nc12.CCOC(=O)c1cnn2c(N(C)C(=O)OC(C)(C)C)cc(Nc3c[nH]c(=O)c(C)c3)nc12.CCOC(=O)c1cnn2c(N(C)C(=O)OC(C)(C)C)cc(Nc3cc(C)c(=O)n(-c4cnn(C)c4)c3)nc12.CCOC(=O)c1cnn2c(N(C)C(=O)OC(C)(C)C)cc(Nc3cc(C)c(=O)n(Cc4ccccc4)c3)nc12.Cc1cc(N)cn(Cc2ccccc2)c1=O.Cc1cc(Nc2cc(N(C)C(=O)OC(C)(C)C)n3ncc(C(=O)O)c3n2)cn(-c2cnn(C)c2)c1=O.Cn1cc(Br)cn1
InChIInChI=1S/C28H32N6O5.C25H30N8O5.C23H26N8O5.C21H26N6O5.C15H19ClN4O4.C13H14N2O.C4H5BrN2/c1-7-38-26(36)21-15-29-34-23(32(6)27(37)39-28(3,4)5)14-22(31-24(21)34)30-20-13-18(2)25(35)33(17-20)16-19-11-9-8-10-12-19;1-8-37-23(35)18-12-27-33-20(31(7)24(36)38-25(3,4)5)10-19(29-21(18)33)28-16-9-15(2)22(34)32(13-16)17-11-26-30(6)14-17;1-13-7-14(11-30(20(13)32)15-9-24-28(5)12-15)26-17-8-18(29(6)22(35)36-23(2,3)4)31-19(27-17)16(10-25-31)21(33)34;1-7-31-19(29)14-11-23-27-16(26(6)20(30)32-21(3,4)5)9-15(25-17(14)27)24-13-8-12(2)18(28)22-10-13;1-6-23-13(21)9-8-17-20-11(7-10(16)18-12(9)20)19(5)14(22)24-15(2,3)4;1-10-7-12(14)9-15(13(10)16)8-11-5-3-2-4-6-11;1-7-3-4(5)2-6-7/h8-15,17H,7,16H2,1-6H3,(H,30,31);9-14H,8H2,1-7H3,(H,28,29);7-12H,1-6H3,(H,26,27)(H,33,34);8-11H,7H2,1-6H3,(H,22,28)(H,24,25);7-8H,6H2,1-5H3;2-7,9H,8,14H2,1H3;2-3H,1H3
InChIKeyFRBXQMJWBKHSSK-UHFFFAOYSA-N
MW2722.22 g/mol
LogP19.41
Rot. Bonds28

About 5-amino-1-benzyl-3-methylpyridin-2-one;4-bromo-1-methylpyrazole;ethyl 5-[(1-benzyl-5-methyl-6-oxo-3-pyridinyl)amino]-7-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxylate;ethyl 5-chloro-7-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxylate;ethyl 7-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-5-[[5-methyl-1-(1-methylpyrazol-4-yl)-6-oxo-3-pyridinyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxylate;ethyl 7-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-5-[(5-methyl-6-oxo-1H-pyridin-3-yl)amino]pyrazolo[1,5-a]pyrimidine-3-carboxylate;7-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-5-[[5-methyl-1-(1-methylpyrazol-4-yl)-6-oxo-3-pyridinyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxylic acid

5-amino-1-benzyl-3-methylpyridin-2-one;4-bromo-1-methylpyrazole;ethyl 5-[(1-benzyl-5-methyl-6-oxo-3-pyridinyl)amino]-7-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxylate;ethyl 5-chloro-7-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxylate;ethyl 7-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-5-[[5-methyl-1-(1-methylpyrazol-4-yl)-6-oxo-3-pyridinyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxylate;ethyl 7-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-5-[(5-methyl-6-oxo-1H-pyridin-3-yl)amino]pyrazolo[1,5-a]pyrimidine-3-carboxylate;7-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-5-[[5-methyl-1-(1-methylpyrazol-4-yl)-6-oxo-3-pyridinyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxylic acid (PubChem CID 158116620) has the molecular formula C129H152BrClN36O25 and a molecular weight of 2722.22 g/mol. Its IUPAC name is 5-amino-1-benzyl-3-methylpyridin-2-one;4-bromo-1-methylpyrazole;ethyl 5-[(1-benzyl-5-methyl-6-oxo-3-pyridinyl)amino]-7-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxylate;ethyl 5-chloro-7-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxylate;ethyl 7-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-5-[[5-methyl-1-(1-methylpyrazol-4-yl)-6-oxo-3-pyridinyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxylate;ethyl 7-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-5-[(5-methyl-6-oxo-1H-pyridin-3-yl)amino]pyrazolo[1,5-a]pyrimidine-3-carboxylate;7-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-5-[[5-methyl-1-(1-methylpyrazol-4-yl)-6-oxo-3-pyridinyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxylic acid.

Molecular Properties

Compound Name5-amino-1-benzyl-3-methylpyridin-2-one;4-bromo-1-methylpyrazole;ethyl 5-[(1-benzyl-5-methyl-6-oxo-3-pyridinyl)amino]-7-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxylate;ethyl 5-chloro-7-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxylate;ethyl 7-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-5-[[5-methyl-1-(1-methylpyrazol-4-yl)-6-oxo-3-pyridinyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxylate;ethyl 7-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-5-[(5-methyl-6-oxo-1H-pyridin-3-yl)amino]pyrazolo[1,5-a]pyrimidine-3-carboxylate;7-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-5-[[5-methyl-1-(1-methylpyrazol-4-yl)-6-oxo-3-pyridinyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxylic acid
PubChem CID158116620
Molecular FormulaC129H152BrClN36O25
Molecular Weight2722.22 g/mol
Exact Mass2719.06
IUPAC Name5-amino-1-benzyl-3-methylpyridin-2-one;4-bromo-1-methylpyrazole;ethyl 5-[(1-benzyl-5-methyl-6-oxo-3-pyridinyl)amino]-7-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxylate;ethyl 5-chloro-7-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxylate;ethyl 7-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-5-[[5-methyl-1-(1-methylpyrazol-4-yl)-6-oxo-3-pyridinyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxylate;ethyl 7-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-5-[(5-methyl-6-oxo-1H-pyridin-3-yl)amino]pyrazolo[1,5-a]pyrimidine-3-carboxylate;7-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-5-[[5-methyl-1-(1-methylpyrazol-4-yl)-6-oxo-3-pyridinyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxylic acid
SMILESCCOC(=O)c1cnn2c(N(C)C(=O)OC(C)(C)C)cc(Cl)nc12.CCOC(=O)c1cnn2c(N(C)C(=O)OC(C)(C)C)cc(Nc3c[nH]c(=O)c(C)c3)nc12.CCOC(=O)c1cnn2c(N(C)C(=O)OC(C)(C)C)cc(Nc3cc(C)c(=O)n(-c4cnn(C)c4)c3)nc12.CCOC(=O)c1cnn2c(N(C)C(=O)OC(C)(C)C)cc(Nc3cc(C)c(=O)n(Cc4ccccc4)c3)nc12.Cc1cc(N)cn(Cc2ccccc2)c1=O.Cc1cc(Nc2cc(N(C)C(=O)OC(C)(C)C)n3ncc(C(=O)O)c3n2)cn(-c2cnn(C)c2)c1=O.Cn1cc(Br)cn1
InChIInChI=1S/C28H32N6O5.C25H30N8O5.C23H26N8O5.C21H26N6O5.C15H19ClN4O4.C13H14N2O.C4H5BrN2/c1-7-38-26(36)21-15-29-34-23(32(6)27(37)39-28(3,4)5)14-22(31-24(21)34)30-20-13-18(2)25(35)33(17-20)16-19-11-9-8-10-12-19;1-8-37-23(35)18-12-27-33-20(31(7)24(36)38-25(3,4)5)10-19(29-21(18)33)28-16-9-15(2)22(34)32(13-16)17-11-26-30(6)14-17;1-13-7-14(11-30(20(13)32)15-9-24-28(5)12-15)26-17-8-18(29(6)22(35)36-23(2,3)4)31-19(27-17)16(10-25-31)21(33)34;1-7-31-19(29)14-11-23-27-16(26(6)20(30)32-21(3,4)5)9-15(25-17(14)27)24-13-8-12(2)18(28)22-10-13;1-6-23-13(21)9-8-17-20-11(7-10(16)18-12(9)20)19(5)14(22)24-15(2,3)4;1-10-7-12(14)9-15(13(10)16)8-11-5-3-2-4-6-11;1-7-3-4(5)2-6-7/h8-15,17H,7,16H2,1-6H3,(H,30,31);9-14H,8H2,1-7H3,(H,28,29);7-12H,1-6H3,(H,26,27)(H,33,34);8-11H,7H2,1-6H3,(H,22,28)(H,24,25);7-8H,6H2,1-5H3;2-7,9H,8,14H2,1H3;2-3H,1H3
InChIKeyFRBXQMJWBKHSSK-UHFFFAOYSA-N
XLogP19.41
TPSA689.61 Ų
H-Bond Donors7
H-Bond Acceptors54
Rotatable Bonds28
Heavy Atoms192
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002722.22
LogP ≤ 519.41
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 1054

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}

Analyze 5-amino-1-benzyl-3-methylpyridin-2-one;4-bromo-1-methylpyrazole;ethyl 5-[(1-benzyl-5-methyl-6-oxo-3-pyridinyl)amino]-7-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxylate;ethyl 5-chloro-7-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxylate;ethyl 7-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-5-[[5-methyl-1-(1-methylpyrazol-4-yl)-6-oxo-3-pyridinyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxylate;ethyl 7-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-5-[(5-methyl-6-oxo-1H-pyridin-3-yl)amino]pyrazolo[1,5-a]pyrimidine-3-carboxylate;7-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-5-[[5-methyl-1-(1-methylpyrazol-4-yl)-6-oxo-3-pyridinyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxylic acid with MolForge

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Related Compounds

2-bromo-6-(trifluoromethyl)pyridine;2-chloro-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine;ethyl 5-chloropyrazolo[1,5-a]pyrimidine-3-carboxylate;ethyl 5-(2-chloro-3-pyridinyl)pyrazolo[1,5-a]pyrimidine-3-carboxylate;ethyl 5-[2-[6-(trifluoromethyl)-2-pyridinyl]-3-pyridinyl]pyrazolo[1,5-a]pyrimidine-3-carboxylate;methanamine;N-methyl-5-[2-[6-(trifluoromethyl)-2-pyridinyl]-3-pyridinyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;5-[2-[6-(trifluoromethyl)-2-pyridinyl]-3-pyridinyl]pyrazolo[1,5-a]pyrimidine-3-carboxylic acid
CID 162128888
2-amino-N-(3-morpholin-4-ylpropyl)-3-pyridin-2-ylpyrazolo[1,5-a]pyrimidine-6-carboxamide;2-amino-3-pyridin-2-ylpyrazolo[1,5-a]pyrimidine-6-carboxylic acid;2-amino-3-pyridin-2-yl-N-(3-pyrrolidin-1-ylpropyl)pyrazolo[1,5-a]pyrimidine-6-carboxamide;ethyl 2-amino-3-pyridin-2-ylpyrazolo[1,5-a]pyrimidine-6-carboxylate
CID 157161071
3-amino-2,2-dimethylpropan-1-ol;3-amino-1H-pyridin-2-one;bis(3-amino-1-pyridin-2-ylpyridin-2-one);2-bromopyridine;tert-butyl N-[5-chloro-3-[(3-hydroxy-2,2-dimethylpropyl)carbamoyl]pyrazolo[1,5-a]pyrimidin-7-yl]-N-methylcarbamate;tert-butyl N-[3-[(3-hydroxy-2,2-dimethylpropyl)carbamoyl]-5-[(2-oxo-1-pyridin-2-yl-3-pyridinyl)amino]pyrazolo[1,5-a]pyrimidin-7-yl]-N-methylcarbamate;5-chloro-7-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxylic acid;N-(3-hydroxy-2,2-dimethylpropyl)-7-(methylamino)-5-[(2-oxo-1-pyridin-2-yl-3-pyridinyl)amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-methylpropan-1-amine
CID 157176106
7-[benzyl(methyl)amino]-5-(5-chloro-1-propan-2-ylpyrrolo[2,3-b]pyridin-3-yl)pyrazolo[1,5-a]pyrimidine-3-carboxylic acid;tert-butyl N-(3-acetyl-5-chloropyrazolo[1,5-a]pyrimidin-7-yl)-N-methylcarbamate;tert-butyl 5-chloro-3-trimethylstannylpyrrolo[2,3-b]pyridine-1-carboxylate;ethyl 7-[benzyl(methyl)amino]-5-[5-chloro-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolo[2,3-b]pyridin-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxylate;ethyl 7-[benzyl(methyl)amino]-5-(5-chloro-1-propan-2-ylpyrrolo[2,3-b]pyridin-3-yl)pyrazolo[1,5-a]pyrimidine-3-carboxylate;ethyl 7-[benzyl(methyl)amino]-5-(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)pyrazolo[1,5-a]pyrimidine-3-carboxylate;2-iodopropane
CID 157178609
3-amino-2,2-dimethylpropan-1-ol;3-amino-1H-pyridin-2-one;bis(3-amino-1-pyridin-2-ylpyridin-2-one);2-bromopyridine;tert-butyl N-[5-chloro-3-[(3-hydroxy-2,2-dimethylpropyl)carbamoyl]pyrazolo[1,5-a]pyrimidin-7-yl]-N-methylcarbamate;tert-butyl N-[3-[(3-hydroxy-2,2-dimethylpropyl)carbamoyl]-5-[(2-oxo-1-pyridin-2-yl-3-pyridinyl)amino]pyrazolo[1,5-a]pyrimidin-7-yl]-N-methylcarbamate;5-chloro-7-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxylic acid;N-methylpropan-1-amine
CID 157293103
3-amino-2,2-dimethylpropan-1-ol;7-[benzyl(methyl)amino]-N-(3-hydroxy-2,2-dimethylpropyl)-5-[1-(2-morpholin-4-ylethyl)pyrrolo[2,3-b]pyridin-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;7-[benzyl(methyl)amino]-5-[1-(2-morpholin-4-ylethyl)pyrrolo[2,3-b]pyridin-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxylic acid;N-(3-hydroxy-2,2-dimethylpropyl)-7-(methylamino)-5-[1-(2-morpholin-4-ylethyl)pyrrolo[2,3-b]pyridin-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 157337279
7-[benzyl(methyl)amino]-5-(1-cyclopropylpyrrolo[2,3-b]pyridin-3-yl)pyrazolo[1,5-a]pyrimidine-3-carboxylic acid;tert-butyl 3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrrolo[2,3-b]pyridine-1-carboxylate;cyclopropanamine;ethyl 7-[benzyl(methyl)amino]-5-chloropyrazolo[1,5-a]pyrimidine-3-carboxylate;ethyl 7-[benzyl(methyl)amino]-5-(1-cyclopropylpyrrolo[2,3-b]pyridin-3-yl)pyrazolo[1,5-a]pyrimidine-3-carboxylate;ethyl 7-[benzyl(methyl)amino]-5-[1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolo[2,3-b]pyridin-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxylate;ethyl 7-[benzyl(methyl)amino]-5-(1H-pyrrolo[2,3-b]pyridin-3-yl)pyrazolo[1,5-a]pyrimidine-3-carboxylate
CID 157408665
8-bromo-6-chloroimidazo[1,2-b]pyridazine;tert-butyl 4-chloro-7-[[5-(4-hydroxypiperidin-1-yl)-2-pyridinyl]amino]-1-oxo-3H-pyrrolo[3,4-c]pyridine-2-carboxylate;tert-butyl 4-(6-chloroimidazo[1,2-b]pyridazin-8-yl)-7-[[5-(4-hydroxypiperidin-1-yl)-2-pyridinyl]amino]-1-oxo-3H-pyrrolo[3,4-c]pyridine-2-carboxylate;tert-butyl 7-[[5-(4-hydroxypiperidin-1-yl)-2-pyridinyl]amino]-1-oxo-4-trimethylstannyl-3H-pyrrolo[3,4-c]pyridine-2-carboxylate
CID 157445618
2-amino-N-[2-(diethylamino)ethyl]-N-methyl-3-pyridin-2-ylpyrazolo[1,5-a]pyrimidine-6-carboxamide;2-amino-N-[2-(1-methylpyrrolidin-2-yl)ethyl]-3-pyridin-2-ylpyrazolo[1,5-a]pyrimidine-6-carboxamide;2-amino-N-(3-morpholin-4-ylpropyl)-3-pyridin-2-ylpyrazolo[1,5-a]pyrimidine-6-carboxamide;2-amino-3-pyridin-2-ylpyrazolo[1,5-a]pyrimidine-6-carboxylic acid
CID 157599082
7-[benzyl(methyl)amino]-5-(1-propan-2-ylindol-3-yl)pyrazolo[1,5-a]pyrimidine-3-carboxylic acid;tert-butyl N-(3-acetyl-5-chloropyrazolo[1,5-a]pyrimidin-7-yl)-N-methylcarbamate;tert-butyl 3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrrolo[2,3-b]pyridine-1-carboxylate;ethyl 7-[benzyl(methyl)amino]-5-[1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolo[2,3-b]pyridin-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxylate;ethyl 7-[benzyl(methyl)amino]-5-(1-propan-2-ylindol-3-yl)pyrazolo[1,5-a]pyrimidine-3-carboxylate;ethyl 7-[benzyl(methyl)amino]-5-(1H-pyrrolo[2,3-b]pyridin-3-yl)pyrazolo[1,5-a]pyrimidine-3-carboxylate;2-iodopropane
CID 157761071
lithium;(7-chloroimidazo[1,2-a]pyridin-2-yl)methanamine;N-[(7-chloroimidazo[1,2-a]pyridin-2-yl)methyl]-1-[(5,6-dimethylimidazo[1,2-a]pyridin-2-yl)methyl]pyrazole-4-carboxamide;2-(chloromethyl)-5,6-dimethylimidazo[1,2-a]pyridine;1,3-dichloropropan-2-one;1-[(5,6-dimethylimidazo[1,2-a]pyridin-2-yl)methyl]pyrazole-4-carboxylic acid;5,6-dimethylpyridin-2-amine;ethyl 1-[(5,6-dimethylimidazo[1,2-a]pyridin-2-yl)methyl]pyrazole-4-carboxylate;ethyl 1H-pyrazole-4-carboxylate;hydroxide;hydrate
CID 157821978
1-(2-Aminoethyl)cyclopropan-1-ol;ethyl 5-chloro-7-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxylate;bis(ethyl 5-[(2-methoxy-3-pyridinyl)amino]-7-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxylate);bis(7-ethyl-5-[(2-methoxy-3-pyridinyl)amino]pyrazolo[1,5-a]pyrimidine-3-carboxylic acid);2-methoxypyridin-3-amine;5-[(2-methoxy-3-pyridinyl)amino]-7-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxylic acid
CID 158208388

Frequently Asked Questions

What is the IUPAC name of 5-amino-1-benzyl-3-methylpyridin-2-one;4-bromo-1-methylpyrazole;ethyl 5-[(1-benzyl-5-methyl-6-oxo-3-pyridinyl)amino]-7-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxylate;ethyl 5-chloro-7-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxylate;ethyl 7-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-5-[[5-methyl-1-(1-methylpyrazol-4-yl)-6-oxo-3-pyridinyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxylate;ethyl 7-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-5-[(5-methyl-6-oxo-1H-pyridin-3-yl)amino]pyrazolo[1,5-a]pyrimidine-3-carboxylate;7-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-5-[[5-methyl-1-(1-methylpyrazol-4-yl)-6-oxo-3-pyridinyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxylic acid?
The IUPAC name of 5-amino-1-benzyl-3-methylpyridin-2-one;4-bromo-1-methylpyrazole;ethyl 5-[(1-benzyl-5-methyl-6-oxo-3-pyridinyl)amino]-7-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxylate;ethyl 5-chloro-7-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxylate;ethyl 7-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-5-[[5-methyl-1-(1-methylpyrazol-4-yl)-6-oxo-3-pyridinyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxylate;ethyl 7-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-5-[(5-methyl-6-oxo-1H-pyridin-3-yl)amino]pyrazolo[1,5-a]pyrimidine-3-carboxylate;7-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-5-[[5-methyl-1-(1-methylpyrazol-4-yl)-6-oxo-3-pyridinyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxylic acid (CID 158116620) is 5-amino-1-benzyl-3-methylpyridin-2-one;4-bromo-1-methylpyrazole;ethyl 5-[(1-benzyl-5-methyl-6-oxo-3-pyridinyl)amino]-7-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxylate;ethyl 5-chloro-7-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxylate;ethyl 7-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-5-[[5-methyl-1-(1-methylpyrazol-4-yl)-6-oxo-3-pyridinyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxylate;ethyl 7-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-5-[(5-methyl-6-oxo-1H-pyridin-3-yl)amino]pyrazolo[1,5-a]pyrimidine-3-carboxylate;7-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-5-[[5-methyl-1-(1-methylpyrazol-4-yl)-6-oxo-3-pyridinyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxylic acid.
What is the SMILES notation for 5-amino-1-benzyl-3-methylpyridin-2-one;4-bromo-1-methylpyrazole;ethyl 5-[(1-benzyl-5-methyl-6-oxo-3-pyridinyl)amino]-7-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxylate;ethyl 5-chloro-7-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxylate;ethyl 7-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-5-[[5-methyl-1-(1-methylpyrazol-4-yl)-6-oxo-3-pyridinyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxylate;ethyl 7-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-5-[(5-methyl-6-oxo-1H-pyridin-3-yl)amino]pyrazolo[1,5-a]pyrimidine-3-carboxylate;7-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-5-[[5-methyl-1-(1-methylpyrazol-4-yl)-6-oxo-3-pyridinyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxylic acid?
The canonical SMILES for 5-amino-1-benzyl-3-methylpyridin-2-one;4-bromo-1-methylpyrazole;ethyl 5-[(1-benzyl-5-methyl-6-oxo-3-pyridinyl)amino]-7-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxylate;ethyl 5-chloro-7-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxylate;ethyl 7-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-5-[[5-methyl-1-(1-methylpyrazol-4-yl)-6-oxo-3-pyridinyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxylate;ethyl 7-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-5-[(5-methyl-6-oxo-1H-pyridin-3-yl)amino]pyrazolo[1,5-a]pyrimidine-3-carboxylate;7-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-5-[[5-methyl-1-(1-methylpyrazol-4-yl)-6-oxo-3-pyridinyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxylic acid is CCOC(=O)c1cnn2c(N(C)C(=O)OC(C)(C)C)cc(Cl)nc12.CCOC(=O)c1cnn2c(N(C)C(=O)OC(C)(C)C)cc(Nc3c[nH]c(=O)c(C)c3)nc12.CCOC(=O)c1cnn2c(N(C)C(=O)OC(C)(C)C)cc(Nc3cc(C)c(=O)n(-c4cnn(C)c4)c3)nc12.CCOC(=O)c1cnn2c(N(C)C(=O)OC(C)(C)C)cc(Nc3cc(C)c(=O)n(Cc4ccccc4)c3)nc12.Cc1cc(N)cn(Cc2ccccc2)c1=O.Cc1cc(Nc2cc(N(C)C(=O)OC(C)(C)C)n3ncc(C(=O)O)c3n2)cn(-c2cnn(C)c2)c1=O.Cn1cc(Br)cn1.
What is the InChIKey of 5-amino-1-benzyl-3-methylpyridin-2-one;4-bromo-1-methylpyrazole;ethyl 5-[(1-benzyl-5-methyl-6-oxo-3-pyridinyl)amino]-7-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxylate;ethyl 5-chloro-7-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxylate;ethyl 7-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-5-[[5-methyl-1-(1-methylpyrazol-4-yl)-6-oxo-3-pyridinyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxylate;ethyl 7-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-5-[(5-methyl-6-oxo-1H-pyridin-3-yl)amino]pyrazolo[1,5-a]pyrimidine-3-carboxylate;7-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-5-[[5-methyl-1-(1-methylpyrazol-4-yl)-6-oxo-3-pyridinyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxylic acid?
The InChIKey is FRBXQMJWBKHSSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H32N6O5.C25H30N8O5.C23H26N8O5.C21H26N6O5.C15H19ClN4O4.C13H14N2O.C4H5BrN2/c1-7-38-26(36)21-15-29-34-23(32(6)27(37)39-28(3,4)5)14-22(31-24(21)34)30-20-13-18(2)25(35)33(17-20)16-19-11-9-8-10-12-19;1-8-37-23(35)18-12-27-33-20(31(7)24(36)38-25(3,4)5)10-19(29-21(18)33)28-16-9-15(2)22(34)32(13-16)17-11-26-30(6)14-17;1-13-7-14(11-30(20(13)32)15-9-24-28(5)12-15)26-17-8-18(29(6)22(35)36-23(2,3)4)31-19(27-17)16(10-25-31)21(33)34;1-7-31-19(29)14-11-23-27-16(26(6)20(30)32-21(3,4)5)9-15(25-17(14)27)24-13-8-12(2)18(28)22-10-13;1-6-23-13(21)9-8-17-20-11(7-10(16)18-12(9)20)19(5)14(22)24-15(2,3)4;1-10-7-12(14)9-15(13(10)16)8-11-5-3-2-4-6-11;1-7-3-4(5)2-6-7/h8-15,17H,7,16H2,1-6H3,(H,30,31);9-14H,8H2,1-7H3,(H,28,29);7-12H,1-6H3,(H,26,27)(H,33,34);8-11H,7H2,1-6H3,(H,22,28)(H,24,25);7-8H,6H2,1-5H3;2-7,9H,8,14H2,1H3;2-3H,1H3.
What are the key properties of 5-amino-1-benzyl-3-methylpyridin-2-one;4-bromo-1-methylpyrazole;ethyl 5-[(1-benzyl-5-methyl-6-oxo-3-pyridinyl)amino]-7-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxylate;ethyl 5-chloro-7-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxylate;ethyl 7-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-5-[[5-methyl-1-(1-methylpyrazol-4-yl)-6-oxo-3-pyridinyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxylate;ethyl 7-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-5-[(5-methyl-6-oxo-1H-pyridin-3-yl)amino]pyrazolo[1,5-a]pyrimidine-3-carboxylate;7-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-5-[[5-methyl-1-(1-methylpyrazol-4-yl)-6-oxo-3-pyridinyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxylic acid?
5-amino-1-benzyl-3-methylpyridin-2-one;4-bromo-1-methylpyrazole;ethyl 5-[(1-benzyl-5-methyl-6-oxo-3-pyridinyl)amino]-7-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxylate;ethyl 5-chloro-7-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxylate;ethyl 7-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-5-[[5-methyl-1-(1-methylpyrazol-4-yl)-6-oxo-3-pyridinyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxylate;ethyl 7-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-5-[(5-methyl-6-oxo-1H-pyridin-3-yl)amino]pyrazolo[1,5-a]pyrimidine-3-carboxylate;7-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-5-[[5-methyl-1-(1-methylpyrazol-4-yl)-6-oxo-3-pyridinyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxylic acid has a molecular weight of 2722.22 g/mol, XLogP of 19.41, 28 rotatable bonds, 7 hydrogen bond donors, and 54 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-1-benzyl-3-methylpyridin-2-one;4-bromo-1-methylpyrazole;ethyl 5-[(1-benzyl-5-methyl-6-oxo-3-pyridinyl)amino]-7-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxylate;ethyl 5-chloro-7-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxylate;ethyl 7-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-5-[[5-methyl-1-(1-methylpyrazol-4-yl)-6-oxo-3-pyridinyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxylate;ethyl 7-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-5-[(5-methyl-6-oxo-1H-pyridin-3-yl)amino]pyrazolo[1,5-a]pyrimidine-3-carboxylate;7-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-5-[[5-methyl-1-(1-methylpyrazol-4-yl)-6-oxo-3-pyridinyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxylic acid is sourced from PubChem (CID 158116620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).