2-[3-acetyl-7-methyl-5-(2-methylpyrimidin-5-yl)indazol-1-yl]acetic acid;3-amino-1H-pyridin-2-one;3-amino-1-pyridin-2-ylpyridin-2-one;benzyl carbonochloridate;benzyl 2-(2-oxo-1H-pyridin-3-yl)acetate;benzyl 2-(2-oxo-1-pyridin-2-yl-3-pyridinyl)acetate;2-bromopyridine;tert-butyl (1R,3S,5R)-5-methyl-3-[(2-oxo-1-pyridin-2-yl-3-pyridinyl)carbamoyl]-2-azabicyclo[3.1.0]hexane-2-carboxylate;methane;N-methylbutan-1-amine;(1R,3S,5R)-5-methyl-2-[(2-methylpropan-2-yl)oxycarbonyl]-2-azabicyclo[3.1.0]hexane-3-carboxylic acid;(1R,3S,5R)-5-methyl-N-(2-oxo-1-pyridin-2-yl-3-pyridinyl)-2-azabicyclo[3.1.0]hexane-3-carboxamide;2,2,2-trifluoroacetaldehyde

C137H152BrClF3N23O24 — CID 160780550

About 2-[3-acetyl-7-methyl-5-(2-methylpyrimidin-5-yl)indazol-1-yl]acetic acid;3-amino-1H-pyridin-2-one;3-amino-1-pyridin-2-ylpyridin-2-one;benzyl carbonochloridate;benzyl 2-(2-oxo-1H-pyridin-3-yl)acetate;benzyl 2-(2-oxo-1-pyridin-2-yl-3-pyridinyl)acetate;2-bromopyridine;tert-butyl (1R,3S,5R)-5-methyl-3-[(2-oxo-1-pyridin-2-yl-3-pyridinyl)carbamoyl]-2-azabicyclo[3.1.0]hexane-2-carboxylate;methane;N-methylbutan-1-amine;(1R,3S,5R)-5-methyl-2-[(2-methylpropan-2-yl)oxycarbonyl]-2-azabicyclo[3.1.0]hexane-3-carboxylic acid;(1R,3S,5R)-5-methyl-N-(2-oxo-1-pyridin-2-yl-3-pyridinyl)-2-azabicyclo[3.1.0]hexane-3-carboxamide;2,2,2-trifluoroacetaldehyde

2-[3-acetyl-7-methyl-5-(2-methylpyrimidin-5-yl)indazol-1-yl]acetic acid;3-amino-1H-pyridin-2-one;3-amino-1-pyridin-2-ylpyridin-2-one;benzyl carbonochloridate;benzyl 2-(2-oxo-1H-pyridin-3-yl)acetate;benzyl 2-(2-oxo-1-pyridin-2-yl-3-pyridinyl)acetate;2-bromopyridine;tert-butyl (1R,3S,5R)-5-methyl-3-[(2-oxo-1-pyridin-2-yl-3-pyridinyl)carbamoyl]-2-azabicyclo[3.1.0]hexane-2-carboxylate;methane;N-methylbutan-1-amine;(1R,3S,5R)-5-methyl-2-[(2-methylpropan-2-yl)oxycarbonyl]-2-azabicyclo[3.1.0]hexane-3-carboxylic acid;(1R,3S,5R)-5-methyl-N-(2-oxo-1-pyridin-2-yl-3-pyridinyl)-2-azabicyclo[3.1.0]hexane-3-carboxamide;2,2,2-trifluoroacetaldehyde (PubChem CID 160780550) has the molecular formula C137H152BrClF3N23O24 and a molecular weight of 2677.21 g/mol. Its IUPAC name is 2-[3-acetyl-7-methyl-5-(2-methylpyrimidin-5-yl)indazol-1-yl]acetic acid;3-amino-1H-pyridin-2-one;3-amino-1-pyridin-2-ylpyridin-2-one;benzyl carbonochloridate;benzyl 2-(2-oxo-1H-pyridin-3-yl)acetate;benzyl 2-(2-oxo-1-pyridin-2-yl-3-pyridinyl)acetate;2-bromopyridine;tert-butyl (1R,3S,5R)-5-methyl-3-[(2-oxo-1-pyridin-2-yl-3-pyridinyl)carbamoyl]-2-azabicyclo[3.1.0]hexane-2-carboxylate;methane;N-methylbutan-1-amine;(1R,3S,5R)-5-methyl-2-[(2-methylpropan-2-yl)oxycarbonyl]-2-azabicyclo[3.1.0]hexane-3-carboxylic acid;(1R,3S,5R)-5-methyl-N-(2-oxo-1-pyridin-2-yl-3-pyridinyl)-2-azabicyclo[3.1.0]hexane-3-carboxamide;2,2,2-trifluoroacetaldehyde.

Molecular Properties

• Compound Name: 2-[3-acetyl-7-methyl-5-(2-methylpyrimidin-5-yl)indazol-1-yl]acetic acid;3-amino-1H-pyridin-2-one;3-amino-1-pyridin-2-ylpyridin-2-one;benzyl carbonochloridate;benzyl 2-(2-oxo-1H-pyridin-3-yl)acetate;benzyl 2-(2-oxo-1-pyridin-2-yl-3-pyridinyl)acetate;2-bromopyridine;tert-butyl (1R,3S,5R)-5-methyl-3-[(2-oxo-1-pyridin-2-yl-3-pyridinyl)carbamoyl]-2-azabicyclo[3.1.0]hexane-2-carboxylate;methane;N-methylbutan-1-amine;(1R,3S,5R)-5-methyl-2-[(2-methylpropan-2-yl)oxycarbonyl]-2-azabicyclo[3.1.0]hexane-3-carboxylic acid;(1R,3S,5R)-5-methyl-N-(2-oxo-1-pyridin-2-yl-3-pyridinyl)-2-azabicyclo[3.1.0]hexane-3-carboxamide;2,2,2-trifluoroacetaldehyde
• PubChem CID: 160780550
• Molecular Formula: C137H152BrClF3N23O24
• Molecular Weight: 2677.21 g/mol
• Exact Mass: 2674.02
• IUPAC Name: 2-[3-acetyl-7-methyl-5-(2-methylpyrimidin-5-yl)indazol-1-yl]acetic acid;3-amino-1H-pyridin-2-one;3-amino-1-pyridin-2-ylpyridin-2-one;benzyl carbonochloridate;benzyl 2-(2-oxo-1H-pyridin-3-yl)acetate;benzyl 2-(2-oxo-1-pyridin-2-yl-3-pyridinyl)acetate;2-bromopyridine;tert-butyl (1R,3S,5R)-5-methyl-3-[(2-oxo-1-pyridin-2-yl-3-pyridinyl)carbamoyl]-2-azabicyclo[3.1.0]hexane-2-carboxylate;methane;N-methylbutan-1-amine;(1R,3S,5R)-5-methyl-2-[(2-methylpropan-2-yl)oxycarbonyl]-2-azabicyclo[3.1.0]hexane-3-carboxylic acid;(1R,3S,5R)-5-methyl-N-(2-oxo-1-pyridin-2-yl-3-pyridinyl)-2-azabicyclo[3.1.0]hexane-3-carboxamide;2,2,2-trifluoroacetaldehyde
• SMILES: Brc1ccccn1.C.CC(=O)c1nn(CC(=O)O)c2c(C)cc(-c3cnc(C)nc3)cc12.CC(C)(C)OC(=O)N1[C@H](C(=O)Nc2cccn(-c3ccccn3)c2=O)C[C@@]2(C)C[C@@H]12.CC(C)(C)OC(=O)N1[C@H](C(=O)O)C[C@@]2(C)C[C@@H]12.CCCCNC.C[C@@]12C[C@@H](C(=O)Nc3cccn(-c4ccccn4)c3=O)N[C@@H]1C2.Nc1ccc[nH]c1=O.Nc1cccn(-c2ccccn2)c1=O.O=C(Cc1ccc[nH]c1=O)OCc1ccccc1.O=C(Cc1cccn(-c2ccccn2)c1=O)OCc1ccccc1.O=C(Cl)OCc1ccccc1.O=CC(F)(F)F
• InChI: InChI=1S/C22H26N4O4.C19H16N2O3.C17H16N4O3.C17H18N4O2.C14H13NO3.C12H19NO4.C10H9N3O.C8H7ClO2.C5H4BrN.C5H6N2O.C5H13N.C2HF3O.CH4/c1-21(2,3)30-20(29)26-15(12-22(4)13-16(22)26)18(27)24-14-8-7-11-25(19(14)28)17-9-5-6-10-23-17;22-18(24-14-15-7-2-1-3-8-15)13-16-9-6-12-21(19(16)23)17-10-4-5-11-20-17;1-9-4-12(13-6-18-11(3)19-7-13)5-14-16(10(2)22)20-21(17(9)14)8-15(23)24;1-17-9-12(19-13(17)10-17)15(22)20-11-5-4-8-21(16(11)23)14-6-2-3-7-18-14;16-13(9-12-7-4-8-15-14(12)17)18-10-11-5-2-1-3-6-11;1-11(2,3)17-10(16)13-7(9(14)15)5-12(4)6-8(12)13;11-8-4-3-7-13(10(8)14)9-5-1-2-6-12-9;9-8(10)11-6-7-4-2-1-3-5-7;6-5-3-1-2-4-7-5;6-4-2-1-3-7-5(4)8;1-3-4-5-6-2;3-2(4,5)1-6;/h5-11,15-16H,12-13H2,1-4H3,(H,24,27);1-12H,13-14H2;4-7H,8H2,1-3H3,(H,23,24);2-8,12-13,19H,9-10H2,1H3,(H,20,22);1-8H,9-10H2,(H,15,17);7-8H,5-6H2,1-4H3,(H,14,15);1-7H,11H2;1-5H,6H2;1-4H;1-3H,6H2,(H,7,8);6H,3-5H2,1-2H3;1H;1H4/t15-,16+,22-;;;12-,13+,17-;;7-,8+,12-;;;;;;;/m0..0.0......./s1
• InChIKey: SANCLDZKSPYDDO-FWEIREJGSA-N
• XLogP: 20.27
• TPSA: 642.79 Ų
• H-Bond Donors: 10
• H-Bond Acceptors: 39
• Rotatable Bonds: 26
• Heavy Atoms: 189
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2677.21
LogP ≤ 5	20.27
H-Bond Donors ≤ 5	10
H-Bond Acceptors ≤ 10	39

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'acid_halide', 'substructure': 'N/A'}, {'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-[3-acetyl-7-methyl-5-(2-methylpyrimidin-5-yl)indazol-1-yl]acetic acid;3-amino-1H-pyridin-2-one;3-amino-1-pyridin-2-ylpyridin-2-one;benzyl carbonochloridate;benzyl 2-(2-oxo-1H-pyridin-3-yl)acetate;benzyl 2-(2-oxo-1-pyridin-2-yl-3-pyridinyl)acetate;2-bromopyridine;tert-butyl (1R,3S,5R)-5-methyl-3-[(2-oxo-1-pyridin-2-yl-3-pyridinyl)carbamoyl]-2-azabicyclo[3.1.0]hexane-2-carboxylate;methane;N-methylbutan-1-amine;(1R,3S,5R)-5-methyl-2-[(2-methylpropan-2-yl)oxycarbonyl]-2-azabicyclo[3.1.0]hexane-3-carboxylic acid;(1R,3S,5R)-5-methyl-N-(2-oxo-1-pyridin-2-yl-3-pyridinyl)-2-azabicyclo[3.1.0]hexane-3-carboxamide;2,2,2-trifluoroacetaldehyde?

The IUPAC name of 2-[3-acetyl-7-methyl-5-(2-methylpyrimidin-5-yl)indazol-1-yl]acetic acid;3-amino-1H-pyridin-2-one;3-amino-1-pyridin-2-ylpyridin-2-one;benzyl carbonochloridate;benzyl 2-(2-oxo-1H-pyridin-3-yl)acetate;benzyl 2-(2-oxo-1-pyridin-2-yl-3-pyridinyl)acetate;2-bromopyridine;tert-butyl (1R,3S,5R)-5-methyl-3-[(2-oxo-1-pyridin-2-yl-3-pyridinyl)carbamoyl]-2-azabicyclo[3.1.0]hexane-2-carboxylate;methane;N-methylbutan-1-amine;(1R,3S,5R)-5-methyl-2-[(2-methylpropan-2-yl)oxycarbonyl]-2-azabicyclo[3.1.0]hexane-3-carboxylic acid;(1R,3S,5R)-5-methyl-N-(2-oxo-1-pyridin-2-yl-3-pyridinyl)-2-azabicyclo[3.1.0]hexane-3-carboxamide;2,2,2-trifluoroacetaldehyde (CID 160780550) is 2-[3-acetyl-7-methyl-5-(2-methylpyrimidin-5-yl)indazol-1-yl]acetic acid;3-amino-1H-pyridin-2-one;3-amino-1-pyridin-2-ylpyridin-2-one;benzyl carbonochloridate;benzyl 2-(2-oxo-1H-pyridin-3-yl)acetate;benzyl 2-(2-oxo-1-pyridin-2-yl-3-pyridinyl)acetate;2-bromopyridine;tert-butyl (1R,3S,5R)-5-methyl-3-[(2-oxo-1-pyridin-2-yl-3-pyridinyl)carbamoyl]-2-azabicyclo[3.1.0]hexane-2-carboxylate;methane;N-methylbutan-1-amine;(1R,3S,5R)-5-methyl-2-[(2-methylpropan-2-yl)oxycarbonyl]-2-azabicyclo[3.1.0]hexane-3-carboxylic acid;(1R,3S,5R)-5-methyl-N-(2-oxo-1-pyridin-2-yl-3-pyridinyl)-2-azabicyclo[3.1.0]hexane-3-carboxamide;2,2,2-trifluoroacetaldehyde.

What is the SMILES notation for 2-[3-acetyl-7-methyl-5-(2-methylpyrimidin-5-yl)indazol-1-yl]acetic acid;3-amino-1H-pyridin-2-one;3-amino-1-pyridin-2-ylpyridin-2-one;benzyl carbonochloridate;benzyl 2-(2-oxo-1H-pyridin-3-yl)acetate;benzyl 2-(2-oxo-1-pyridin-2-yl-3-pyridinyl)acetate;2-bromopyridine;tert-butyl (1R,3S,5R)-5-methyl-3-[(2-oxo-1-pyridin-2-yl-3-pyridinyl)carbamoyl]-2-azabicyclo[3.1.0]hexane-2-carboxylate;methane;N-methylbutan-1-amine;(1R,3S,5R)-5-methyl-2-[(2-methylpropan-2-yl)oxycarbonyl]-2-azabicyclo[3.1.0]hexane-3-carboxylic acid;(1R,3S,5R)-5-methyl-N-(2-oxo-1-pyridin-2-yl-3-pyridinyl)-2-azabicyclo[3.1.0]hexane-3-carboxamide;2,2,2-trifluoroacetaldehyde?

The canonical SMILES for 2-[3-acetyl-7-methyl-5-(2-methylpyrimidin-5-yl)indazol-1-yl]acetic acid;3-amino-1H-pyridin-2-one;3-amino-1-pyridin-2-ylpyridin-2-one;benzyl carbonochloridate;benzyl 2-(2-oxo-1H-pyridin-3-yl)acetate;benzyl 2-(2-oxo-1-pyridin-2-yl-3-pyridinyl)acetate;2-bromopyridine;tert-butyl (1R,3S,5R)-5-methyl-3-[(2-oxo-1-pyridin-2-yl-3-pyridinyl)carbamoyl]-2-azabicyclo[3.1.0]hexane-2-carboxylate;methane;N-methylbutan-1-amine;(1R,3S,5R)-5-methyl-2-[(2-methylpropan-2-yl)oxycarbonyl]-2-azabicyclo[3.1.0]hexane-3-carboxylic acid;(1R,3S,5R)-5-methyl-N-(2-oxo-1-pyridin-2-yl-3-pyridinyl)-2-azabicyclo[3.1.0]hexane-3-carboxamide;2,2,2-trifluoroacetaldehyde is Brc1ccccn1.C.CC(=O)c1nn(CC(=O)O)c2c(C)cc(-c3cnc(C)nc3)cc12.CC(C)(C)OC(=O)N1[C@H](C(=O)Nc2cccn(-c3ccccn3)c2=O)C[C@@]2(C)C[C@@H]12.CC(C)(C)OC(=O)N1[C@H](C(=O)O)C[C@@]2(C)C[C@@H]12.CCCCNC.C[C@@]12C[C@@H](C(=O)Nc3cccn(-c4ccccn4)c3=O)N[C@@H]1C2.Nc1ccc[nH]c1=O.Nc1cccn(-c2ccccn2)c1=O.O=C(Cc1ccc[nH]c1=O)OCc1ccccc1.O=C(Cc1cccn(-c2ccccn2)c1=O)OCc1ccccc1.O=C(Cl)OCc1ccccc1.O=CC(F)(F)F.

What is the InChIKey of 2-[3-acetyl-7-methyl-5-(2-methylpyrimidin-5-yl)indazol-1-yl]acetic acid;3-amino-1H-pyridin-2-one;3-amino-1-pyridin-2-ylpyridin-2-one;benzyl carbonochloridate;benzyl 2-(2-oxo-1H-pyridin-3-yl)acetate;benzyl 2-(2-oxo-1-pyridin-2-yl-3-pyridinyl)acetate;2-bromopyridine;tert-butyl (1R,3S,5R)-5-methyl-3-[(2-oxo-1-pyridin-2-yl-3-pyridinyl)carbamoyl]-2-azabicyclo[3.1.0]hexane-2-carboxylate;methane;N-methylbutan-1-amine;(1R,3S,5R)-5-methyl-2-[(2-methylpropan-2-yl)oxycarbonyl]-2-azabicyclo[3.1.0]hexane-3-carboxylic acid;(1R,3S,5R)-5-methyl-N-(2-oxo-1-pyridin-2-yl-3-pyridinyl)-2-azabicyclo[3.1.0]hexane-3-carboxamide;2,2,2-trifluoroacetaldehyde?

The InChIKey is SANCLDZKSPYDDO-FWEIREJGSA-N. The full InChI is InChI=1S/C22H26N4O4.C19H16N2O3.C17H16N4O3.C17H18N4O2.C14H13NO3.C12H19NO4.C10H9N3O.C8H7ClO2.C5H4BrN.C5H6N2O.C5H13N.C2HF3O.CH4/c1-21(2,3)30-20(29)26-15(12-22(4)13-16(22)26)18(27)24-14-8-7-11-25(19(14)28)17-9-5-6-10-23-17;22-18(24-14-15-7-2-1-3-8-15)13-16-9-6-12-21(19(16)23)17-10-4-5-11-20-17;1-9-4-12(13-6-18-11(3)19-7-13)5-14-16(10(2)22)20-21(17(9)14)8-15(23)24;1-17-9-12(19-13(17)10-17)15(22)20-11-5-4-8-21(16(11)23)14-6-2-3-7-18-14;16-13(9-12-7-4-8-15-14(12)17)18-10-11-5-2-1-3-6-11;1-11(2,3)17-10(16)13-7(9(14)15)5-12(4)6-8(12)13;11-8-4-3-7-13(10(8)14)9-5-1-2-6-12-9;9-8(10)11-6-7-4-2-1-3-5-7;6-5-3-1-2-4-7-5;6-4-2-1-3-7-5(4)8;1-3-4-5-6-2;3-2(4,5)1-6;/h5-11,15-16H,12-13H2,1-4H3,(H,24,27);1-12H,13-14H2;4-7H,8H2,1-3H3,(H,23,24);2-8,12-13,19H,9-10H2,1H3,(H,20,22);1-8H,9-10H2,(H,15,17);7-8H,5-6H2,1-4H3,(H,14,15);1-7H,11H2;1-5H,6H2;1-4H;1-3H,6H2,(H,7,8);6H,3-5H2,1-2H3;1H;1H4/t15-,16+,22-;;;12-,13+,17-;;7-,8+,12-;;;;;;;/m0..0.0......./s1.

What are the key properties of 2-[3-acetyl-7-methyl-5-(2-methylpyrimidin-5-yl)indazol-1-yl]acetic acid;3-amino-1H-pyridin-2-one;3-amino-1-pyridin-2-ylpyridin-2-one;benzyl carbonochloridate;benzyl 2-(2-oxo-1H-pyridin-3-yl)acetate;benzyl 2-(2-oxo-1-pyridin-2-yl-3-pyridinyl)acetate;2-bromopyridine;tert-butyl (1R,3S,5R)-5-methyl-3-[(2-oxo-1-pyridin-2-yl-3-pyridinyl)carbamoyl]-2-azabicyclo[3.1.0]hexane-2-carboxylate;methane;N-methylbutan-1-amine;(1R,3S,5R)-5-methyl-2-[(2-methylpropan-2-yl)oxycarbonyl]-2-azabicyclo[3.1.0]hexane-3-carboxylic acid;(1R,3S,5R)-5-methyl-N-(2-oxo-1-pyridin-2-yl-3-pyridinyl)-2-azabicyclo[3.1.0]hexane-3-carboxamide;2,2,2-trifluoroacetaldehyde?

2-[3-acetyl-7-methyl-5-(2-methylpyrimidin-5-yl)indazol-1-yl]acetic acid;3-amino-1H-pyridin-2-one;3-amino-1-pyridin-2-ylpyridin-2-one;benzyl carbonochloridate;benzyl 2-(2-oxo-1H-pyridin-3-yl)acetate;benzyl 2-(2-oxo-1-pyridin-2-yl-3-pyridinyl)acetate;2-bromopyridine;tert-butyl (1R,3S,5R)-5-methyl-3-[(2-oxo-1-pyridin-2-yl-3-pyridinyl)carbamoyl]-2-azabicyclo[3.1.0]hexane-2-carboxylate;methane;N-methylbutan-1-amine;(1R,3S,5R)-5-methyl-2-[(2-methylpropan-2-yl)oxycarbonyl]-2-azabicyclo[3.1.0]hexane-3-carboxylic acid;(1R,3S,5R)-5-methyl-N-(2-oxo-1-pyridin-2-yl-3-pyridinyl)-2-azabicyclo[3.1.0]hexane-3-carboxamide;2,2,2-trifluoroacetaldehyde has a molecular weight of 2677.21 g/mol, XLogP of 20.27, 26 rotatable bonds, 10 hydrogen bond donors, and 39 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[3-acetyl-7-methyl-5-(2-methylpyrimidin-5-yl)indazol-1-yl]acetic acid;3-amino-1H-pyridin-2-one;3-amino-1-pyridin-2-ylpyridin-2-one;benzyl carbonochloridate;benzyl 2-(2-oxo-1H-pyridin-3-yl)acetate;benzyl 2-(2-oxo-1-pyridin-2-yl-3-pyridinyl)acetate;2-bromopyridine;tert-butyl (1R,3S,5R)-5-methyl-3-[(2-oxo-1-pyridin-2-yl-3-pyridinyl)carbamoyl]-2-azabicyclo[3.1.0]hexane-2-carboxylate;methane;N-methylbutan-1-amine;(1R,3S,5R)-5-methyl-2-[(2-methylpropan-2-yl)oxycarbonyl]-2-azabicyclo[3.1.0]hexane-3-carboxylic acid;(1R,3S,5R)-5-methyl-N-(2-oxo-1-pyridin-2-yl-3-pyridinyl)-2-azabicyclo[3.1.0]hexane-3-carboxamide;2,2,2-trifluoroacetaldehyde is sourced from PubChem (CID 160780550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).