3-amino-1-(3-fluoro-2-pyridinyl)pyridin-2-one;tert-butyl N-[5-chloro-3-(ethoxycarbamoyl)pyrazolo[1,5-a]pyrimidin-7-yl]-N-methylcarbamate;tert-butyl N-[3-(ethoxycarbamoyl)-5-[[1-(3-fluoro-2-pyridinyl)-2-oxo-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-ethoxy-5-[[1-(3-fluoro-2-pyridinyl)-2-oxo-3-pyridinyl]amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide;O-ethylhydroxylamine

C85H96Cl2F3N29O18 — CID 159676684

About 3-amino-1-(3-fluoro-2-pyridinyl)pyridin-2-one;tert-butyl N-[5-chloro-3-(ethoxycarbamoyl)pyrazolo[1,5-a]pyrimidin-7-yl]-N-methylcarbamate;tert-butyl N-[3-(ethoxycarbamoyl)-5-[[1-(3-fluoro-2-pyridinyl)-2-oxo-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-ethoxy-5-[[1-(3-fluoro-2-pyridinyl)-2-oxo-3-pyridinyl]amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide;O-ethylhydroxylamine

3-amino-1-(3-fluoro-2-pyridinyl)pyridin-2-one;tert-butyl N-[5-chloro-3-(ethoxycarbamoyl)pyrazolo[1,5-a]pyrimidin-7-yl]-N-methylcarbamate;tert-butyl N-[3-(ethoxycarbamoyl)-5-[[1-(3-fluoro-2-pyridinyl)-2-oxo-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-ethoxy-5-[[1-(3-fluoro-2-pyridinyl)-2-oxo-3-pyridinyl]amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide;O-ethylhydroxylamine (PubChem CID 159676684) has the molecular formula C85H96Cl2F3N29O18 and a molecular weight of 1939.79 g/mol. Its IUPAC name is 3-amino-1-(3-fluoro-2-pyridinyl)pyridin-2-one;tert-butyl N-[5-chloro-3-(ethoxycarbamoyl)pyrazolo[1,5-a]pyrimidin-7-yl]-N-methylcarbamate;tert-butyl N-[3-(ethoxycarbamoyl)-5-[[1-(3-fluoro-2-pyridinyl)-2-oxo-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-ethoxy-5-[[1-(3-fluoro-2-pyridinyl)-2-oxo-3-pyridinyl]amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide;O-ethylhydroxylamine.

Molecular Properties

• Compound Name: 3-amino-1-(3-fluoro-2-pyridinyl)pyridin-2-one;tert-butyl N-[5-chloro-3-(ethoxycarbamoyl)pyrazolo[1,5-a]pyrimidin-7-yl]-N-methylcarbamate;tert-butyl N-[3-(ethoxycarbamoyl)-5-[[1-(3-fluoro-2-pyridinyl)-2-oxo-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-ethoxy-5-[[1-(3-fluoro-2-pyridinyl)-2-oxo-3-pyridinyl]amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide;O-ethylhydroxylamine
• PubChem CID: 159676684
• Molecular Formula: C85H96Cl2F3N29O18
• Molecular Weight: 1939.79 g/mol
• Exact Mass: 1937.68
• IUPAC Name: 3-amino-1-(3-fluoro-2-pyridinyl)pyridin-2-one;tert-butyl N-[5-chloro-3-(ethoxycarbamoyl)pyrazolo[1,5-a]pyrimidin-7-yl]-N-methylcarbamate;tert-butyl N-[3-(ethoxycarbamoyl)-5-[[1-(3-fluoro-2-pyridinyl)-2-oxo-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-ethoxy-5-[[1-(3-fluoro-2-pyridinyl)-2-oxo-3-pyridinyl]amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide;O-ethylhydroxylamine
• SMILES: CCON.CCONC(=O)c1cnn2c(N(C)C(=O)OC(C)(C)C)cc(Cl)nc12.CCONC(=O)c1cnn2c(N(C)C(=O)OC(C)(C)C)cc(Nc3cccn(-c4ncccc4F)c3=O)nc12.CCONC(=O)c1cnn2c(NC)cc(Nc3cccn(-c4ncccc4F)c3=O)nc12.CN(C(=O)OC(C)(C)C)c1cc(Cl)nc2c(C(=O)O)cnn12.Nc1cccn(-c2ncccc2F)c1=O
• InChI: InChI=1S/C25H27FN8O5.C20H19FN8O3.C15H20ClN5O4.C13H15ClN4O4.C10H8FN3O.C2H7NO/c1-6-38-31-22(35)15-14-28-34-19(32(5)24(37)39-25(2,3)4)13-18(30-20(15)34)29-17-10-8-12-33(23(17)36)21-16(26)9-7-11-27-21;1-3-32-27-19(30)12-11-24-29-16(22-2)10-15(26-17(12)29)25-14-7-5-9-28(20(14)31)18-13(21)6-4-8-23-18;1-6-24-19-13(22)9-8-17-21-11(7-10(16)18-12(9)21)20(5)14(23)25-15(2,3)4;1-13(2,3)22-12(21)17(4)9-5-8(14)16-10-7(11(19)20)6-15-18(9)10;11-7-3-1-5-13-9(7)14-6-2-4-8(12)10(14)15;1-2-4-3/h7-14H,6H2,1-5H3,(H,29,30)(H,31,35);4-11,22H,3H2,1-2H3,(H,25,26)(H,27,30);7-8H,6H2,1-5H3,(H,19,22);5-6H,1-4H3,(H,19,20);1-6H,12H2;2-3H2,1H3
• InChIKey: MURLHWOJBDKMLE-UHFFFAOYSA-N
• XLogP: 10.83
• TPSA: 563.70 Ų
• H-Bond Donors: 9
• H-Bond Acceptors: 40
• Rotatable Bonds: 22
• Heavy Atoms: 137
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1939.79
LogP ≤ 5	10.83
H-Bond Donors ≤ 5	9
H-Bond Acceptors ≤ 10	40

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 3-amino-1-(3-fluoro-2-pyridinyl)pyridin-2-one;tert-butyl N-[5-chloro-3-(ethoxycarbamoyl)pyrazolo[1,5-a]pyrimidin-7-yl]-N-methylcarbamate;tert-butyl N-[3-(ethoxycarbamoyl)-5-[[1-(3-fluoro-2-pyridinyl)-2-oxo-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-ethoxy-5-[[1-(3-fluoro-2-pyridinyl)-2-oxo-3-pyridinyl]amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide;O-ethylhydroxylamine?

The IUPAC name of 3-amino-1-(3-fluoro-2-pyridinyl)pyridin-2-one;tert-butyl N-[5-chloro-3-(ethoxycarbamoyl)pyrazolo[1,5-a]pyrimidin-7-yl]-N-methylcarbamate;tert-butyl N-[3-(ethoxycarbamoyl)-5-[[1-(3-fluoro-2-pyridinyl)-2-oxo-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-ethoxy-5-[[1-(3-fluoro-2-pyridinyl)-2-oxo-3-pyridinyl]amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide;O-ethylhydroxylamine (CID 159676684) is 3-amino-1-(3-fluoro-2-pyridinyl)pyridin-2-one;tert-butyl N-[5-chloro-3-(ethoxycarbamoyl)pyrazolo[1,5-a]pyrimidin-7-yl]-N-methylcarbamate;tert-butyl N-[3-(ethoxycarbamoyl)-5-[[1-(3-fluoro-2-pyridinyl)-2-oxo-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-ethoxy-5-[[1-(3-fluoro-2-pyridinyl)-2-oxo-3-pyridinyl]amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide;O-ethylhydroxylamine.

What is the SMILES notation for 3-amino-1-(3-fluoro-2-pyridinyl)pyridin-2-one;tert-butyl N-[5-chloro-3-(ethoxycarbamoyl)pyrazolo[1,5-a]pyrimidin-7-yl]-N-methylcarbamate;tert-butyl N-[3-(ethoxycarbamoyl)-5-[[1-(3-fluoro-2-pyridinyl)-2-oxo-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-ethoxy-5-[[1-(3-fluoro-2-pyridinyl)-2-oxo-3-pyridinyl]amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide;O-ethylhydroxylamine?

The canonical SMILES for 3-amino-1-(3-fluoro-2-pyridinyl)pyridin-2-one;tert-butyl N-[5-chloro-3-(ethoxycarbamoyl)pyrazolo[1,5-a]pyrimidin-7-yl]-N-methylcarbamate;tert-butyl N-[3-(ethoxycarbamoyl)-5-[[1-(3-fluoro-2-pyridinyl)-2-oxo-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-ethoxy-5-[[1-(3-fluoro-2-pyridinyl)-2-oxo-3-pyridinyl]amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide;O-ethylhydroxylamine is CCON.CCONC(=O)c1cnn2c(N(C)C(=O)OC(C)(C)C)cc(Cl)nc12.CCONC(=O)c1cnn2c(N(C)C(=O)OC(C)(C)C)cc(Nc3cccn(-c4ncccc4F)c3=O)nc12.CCONC(=O)c1cnn2c(NC)cc(Nc3cccn(-c4ncccc4F)c3=O)nc12.CN(C(=O)OC(C)(C)C)c1cc(Cl)nc2c(C(=O)O)cnn12.Nc1cccn(-c2ncccc2F)c1=O.

What is the InChIKey of 3-amino-1-(3-fluoro-2-pyridinyl)pyridin-2-one;tert-butyl N-[5-chloro-3-(ethoxycarbamoyl)pyrazolo[1,5-a]pyrimidin-7-yl]-N-methylcarbamate;tert-butyl N-[3-(ethoxycarbamoyl)-5-[[1-(3-fluoro-2-pyridinyl)-2-oxo-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-ethoxy-5-[[1-(3-fluoro-2-pyridinyl)-2-oxo-3-pyridinyl]amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide;O-ethylhydroxylamine?

The InChIKey is MURLHWOJBDKMLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27FN8O5.C20H19FN8O3.C15H20ClN5O4.C13H15ClN4O4.C10H8FN3O.C2H7NO/c1-6-38-31-22(35)15-14-28-34-19(32(5)24(37)39-25(2,3)4)13-18(30-20(15)34)29-17-10-8-12-33(23(17)36)21-16(26)9-7-11-27-21;1-3-32-27-19(30)12-11-24-29-16(22-2)10-15(26-17(12)29)25-14-7-5-9-28(20(14)31)18-13(21)6-4-8-23-18;1-6-24-19-13(22)9-8-17-21-11(7-10(16)18-12(9)21)20(5)14(23)25-15(2,3)4;1-13(2,3)22-12(21)17(4)9-5-8(14)16-10-7(11(19)20)6-15-18(9)10;11-7-3-1-5-13-9(7)14-6-2-4-8(12)10(14)15;1-2-4-3/h7-14H,6H2,1-5H3,(H,29,30)(H,31,35);4-11,22H,3H2,1-2H3,(H,25,26)(H,27,30);7-8H,6H2,1-5H3,(H,19,22);5-6H,1-4H3,(H,19,20);1-6H,12H2;2-3H2,1H3.

What are the key properties of 3-amino-1-(3-fluoro-2-pyridinyl)pyridin-2-one;tert-butyl N-[5-chloro-3-(ethoxycarbamoyl)pyrazolo[1,5-a]pyrimidin-7-yl]-N-methylcarbamate;tert-butyl N-[3-(ethoxycarbamoyl)-5-[[1-(3-fluoro-2-pyridinyl)-2-oxo-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-ethoxy-5-[[1-(3-fluoro-2-pyridinyl)-2-oxo-3-pyridinyl]amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide;O-ethylhydroxylamine?

3-amino-1-(3-fluoro-2-pyridinyl)pyridin-2-one;tert-butyl N-[5-chloro-3-(ethoxycarbamoyl)pyrazolo[1,5-a]pyrimidin-7-yl]-N-methylcarbamate;tert-butyl N-[3-(ethoxycarbamoyl)-5-[[1-(3-fluoro-2-pyridinyl)-2-oxo-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-ethoxy-5-[[1-(3-fluoro-2-pyridinyl)-2-oxo-3-pyridinyl]amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide;O-ethylhydroxylamine has a molecular weight of 1939.79 g/mol, XLogP of 10.83, 22 rotatable bonds, 9 hydrogen bond donors, and 40 hydrogen bond acceptors.

Where does this data come from?

All data for 3-amino-1-(3-fluoro-2-pyridinyl)pyridin-2-one;tert-butyl N-[5-chloro-3-(ethoxycarbamoyl)pyrazolo[1,5-a]pyrimidin-7-yl]-N-methylcarbamate;tert-butyl N-[3-(ethoxycarbamoyl)-5-[[1-(3-fluoro-2-pyridinyl)-2-oxo-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-ethoxy-5-[[1-(3-fluoro-2-pyridinyl)-2-oxo-3-pyridinyl]amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide;O-ethylhydroxylamine is sourced from PubChem (CID 159676684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).