2-(6-amino-4-oxo-5H-pyrazolo[5,4-d]pyrimidin-1-yl)-N-[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-N-propan-2-ylacetamide;1-[2-[[2-(3-bromo-2-fluoroanilino)-2-oxoethyl]-propan-2-ylamino]-2-oxoethyl]indazole-3-carboxamide;1-[2-[[2-[(6-bromo-2-pyridinyl)methylamino]-2-oxoethyl]-propan-2-ylamino]-2-oxoethyl]indazole-3-carboxamide;2-[2-[[2-[[2-(3-chloro-2-fluoroanilino)-2-oxoethyl]-propan-2-ylamino]-2-oxoethyl]amino]phenyl]-2-iminoacetamide;1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-cyclobutylamino]-2-oxoethyl]indazole-3-carboxamide;1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-(2-hydroxyethyl)amino]-2-oxoethyl]indazole-3-carboxamide

C126H132Br2Cl4F5N33O19 — CID 158210904

About 2-(6-amino-4-oxo-5H-pyrazolo[5,4-d]pyrimidin-1-yl)-N-[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-N-propan-2-ylacetamide;1-[2-[[2-(3-bromo-2-fluoroanilino)-2-oxoethyl]-propan-2-ylamino]-2-oxoethyl]indazole-3-carboxamide;1-[2-[[2-[(6-bromo-2-pyridinyl)methylamino]-2-oxoethyl]-propan-2-ylamino]-2-oxoethyl]indazole-3-carboxamide;2-[2-[[2-[[2-(3-chloro-2-fluoroanilino)-2-oxoethyl]-propan-2-ylamino]-2-oxoethyl]amino]phenyl]-2-iminoacetamide;1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-cyclobutylamino]-2-oxoethyl]indazole-3-carboxamide;1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-(2-hydroxyethyl)amino]-2-oxoethyl]indazole-3-carboxamide

2-(6-amino-4-oxo-5H-pyrazolo[5,4-d]pyrimidin-1-yl)-N-[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-N-propan-2-ylacetamide;1-[2-[[2-(3-bromo-2-fluoroanilino)-2-oxoethyl]-propan-2-ylamino]-2-oxoethyl]indazole-3-carboxamide;1-[2-[[2-[(6-bromo-2-pyridinyl)methylamino]-2-oxoethyl]-propan-2-ylamino]-2-oxoethyl]indazole-3-carboxamide;2-[2-[[2-[[2-(3-chloro-2-fluoroanilino)-2-oxoethyl]-propan-2-ylamino]-2-oxoethyl]amino]phenyl]-2-iminoacetamide;1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-cyclobutylamino]-2-oxoethyl]indazole-3-carboxamide;1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-(2-hydroxyethyl)amino]-2-oxoethyl]indazole-3-carboxamide (PubChem CID 158210904) has the molecular formula C126H132Br2Cl4F5N33O19 and a molecular weight of 2809.26 g/mol. Its IUPAC name is 2-(6-amino-4-oxo-5H-pyrazolo[5,4-d]pyrimidin-1-yl)-N-[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-N-propan-2-ylacetamide;1-[2-[[2-(3-bromo-2-fluoroanilino)-2-oxoethyl]-propan-2-ylamino]-2-oxoethyl]indazole-3-carboxamide;1-[2-[[2-[(6-bromo-2-pyridinyl)methylamino]-2-oxoethyl]-propan-2-ylamino]-2-oxoethyl]indazole-3-carboxamide;2-[2-[[2-[[2-(3-chloro-2-fluoroanilino)-2-oxoethyl]-propan-2-ylamino]-2-oxoethyl]amino]phenyl]-2-iminoacetamide;1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-cyclobutylamino]-2-oxoethyl]indazole-3-carboxamide;1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-(2-hydroxyethyl)amino]-2-oxoethyl]indazole-3-carboxamide.

Molecular Properties

• Compound Name: 2-(6-amino-4-oxo-5H-pyrazolo[5,4-d]pyrimidin-1-yl)-N-[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-N-propan-2-ylacetamide;1-[2-[[2-(3-bromo-2-fluoroanilino)-2-oxoethyl]-propan-2-ylamino]-2-oxoethyl]indazole-3-carboxamide;1-[2-[[2-[(6-bromo-2-pyridinyl)methylamino]-2-oxoethyl]-propan-2-ylamino]-2-oxoethyl]indazole-3-carboxamide;2-[2-[[2-[[2-(3-chloro-2-fluoroanilino)-2-oxoethyl]-propan-2-ylamino]-2-oxoethyl]amino]phenyl]-2-iminoacetamide;1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-cyclobutylamino]-2-oxoethyl]indazole-3-carboxamide;1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-(2-hydroxyethyl)amino]-2-oxoethyl]indazole-3-carboxamide
• PubChem CID: 158210904
• Molecular Formula: C126H132Br2Cl4F5N33O19
• Molecular Weight: 2809.26 g/mol
• Exact Mass: 2803.74
• IUPAC Name: 2-(6-amino-4-oxo-5H-pyrazolo[5,4-d]pyrimidin-1-yl)-N-[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-N-propan-2-ylacetamide;1-[2-[[2-(3-bromo-2-fluoroanilino)-2-oxoethyl]-propan-2-ylamino]-2-oxoethyl]indazole-3-carboxamide;1-[2-[[2-[(6-bromo-2-pyridinyl)methylamino]-2-oxoethyl]-propan-2-ylamino]-2-oxoethyl]indazole-3-carboxamide;2-[2-[[2-[[2-(3-chloro-2-fluoroanilino)-2-oxoethyl]-propan-2-ylamino]-2-oxoethyl]amino]phenyl]-2-iminoacetamide;1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-cyclobutylamino]-2-oxoethyl]indazole-3-carboxamide;1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-(2-hydroxyethyl)amino]-2-oxoethyl]indazole-3-carboxamide
• SMILES: CC(C)N(CC(=O)NCc1cccc(Br)n1)C(=O)Cn1nc(C(N)=O)c2ccccc21.CC(C)N(CC(=O)NCc1cccc(Cl)c1F)C(=O)Cn1ncc2c(=O)[nH]c(N)nc21.CC(C)N(CC(=O)Nc1cccc(Br)c1F)C(=O)Cn1nc(C(N)=O)c2ccccc21.NC(=O)c1nn(CC(=O)N(CC(=O)NCc2cccc(Cl)c2F)C2CCC2)c2ccccc12.NC(=O)c1nn(CC(=O)N(CCO)CC(=O)NCc2cccc(Cl)c2F)c2ccccc12.[H]/N=C(\C(N)=O)c1ccccc1NCC(=O)N(CC(=O)Nc1cccc(Cl)c1F)C(C)C
• InChI: InChI=1S/C23H23ClFN5O3.C21H21BrFN5O3.C21H23BrN6O3.C21H21ClFN5O4.C21H23ClFN5O3.C19H21ClFN7O3/c24-17-9-3-5-14(21(17)25)11-27-19(31)12-29(15-6-4-7-15)20(32)13-30-18-10-2-1-8-16(18)22(28-30)23(26)33;1-12(2)27(10-17(29)25-15-8-5-7-14(22)19(15)23)18(30)11-28-16-9-4-3-6-13(16)20(26-28)21(24)31;1-13(2)27(11-18(29)24-10-14-6-5-9-17(22)25-14)19(30)12-28-16-8-4-3-7-15(16)20(26-28)21(23)31;22-15-6-3-4-13(19(15)23)10-25-17(30)11-27(8-9-29)18(31)12-28-16-7-2-1-5-14(16)20(26-28)21(24)32;1-12(2)28(11-17(29)27-16-9-5-7-14(22)19(16)23)18(30)10-26-15-8-4-3-6-13(15)20(24)21(25)31;1-10(2)27(8-14(29)23-6-11-4-3-5-13(20)16(11)21)15(30)9-28-17-12(7-24-28)18(31)26-19(22)25-17/h1-3,5,8-10,15H,4,6-7,11-13H2,(H2,26,33)(H,27,31);3-9,12H,10-11H2,1-2H3,(H2,24,31)(H,25,29);3-9,13H,10-12H2,1-2H3,(H2,23,31)(H,24,29);1-7,29H,8-12H2,(H2,24,32)(H,25,30);3-9,12,24,26H,10-11H2,1-2H3,(H2,25,31)(H,27,29);3-5,7,10H,6,8-9H2,1-2H3,(H,23,29)(H3,22,25,26,31)/b;;;;24-20-
• InChIKey: GCBIPYQBDWWMKI-DWSPEXHHSA-N
• XLogP: 12.12
• TPSA: 741.78 Ų
• H-Bond Donors: 16
• H-Bond Acceptors: 34
• Rotatable Bonds: 48
• Heavy Atoms: 189
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2809.26
LogP ≤ 5	12.12
H-Bond Donors ≤ 5	16
H-Bond Acceptors ≤ 10	34

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-(6-amino-4-oxo-5H-pyrazolo[5,4-d]pyrimidin-1-yl)-N-[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-N-propan-2-ylacetamide;1-[2-[[2-(3-bromo-2-fluoroanilino)-2-oxoethyl]-propan-2-ylamino]-2-oxoethyl]indazole-3-carboxamide;1-[2-[[2-[(6-bromo-2-pyridinyl)methylamino]-2-oxoethyl]-propan-2-ylamino]-2-oxoethyl]indazole-3-carboxamide;2-[2-[[2-[[2-(3-chloro-2-fluoroanilino)-2-oxoethyl]-propan-2-ylamino]-2-oxoethyl]amino]phenyl]-2-iminoacetamide;1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-cyclobutylamino]-2-oxoethyl]indazole-3-carboxamide;1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-(2-hydroxyethyl)amino]-2-oxoethyl]indazole-3-carboxamide?

The IUPAC name of 2-(6-amino-4-oxo-5H-pyrazolo[5,4-d]pyrimidin-1-yl)-N-[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-N-propan-2-ylacetamide;1-[2-[[2-(3-bromo-2-fluoroanilino)-2-oxoethyl]-propan-2-ylamino]-2-oxoethyl]indazole-3-carboxamide;1-[2-[[2-[(6-bromo-2-pyridinyl)methylamino]-2-oxoethyl]-propan-2-ylamino]-2-oxoethyl]indazole-3-carboxamide;2-[2-[[2-[[2-(3-chloro-2-fluoroanilino)-2-oxoethyl]-propan-2-ylamino]-2-oxoethyl]amino]phenyl]-2-iminoacetamide;1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-cyclobutylamino]-2-oxoethyl]indazole-3-carboxamide;1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-(2-hydroxyethyl)amino]-2-oxoethyl]indazole-3-carboxamide (CID 158210904) is 2-(6-amino-4-oxo-5H-pyrazolo[5,4-d]pyrimidin-1-yl)-N-[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-N-propan-2-ylacetamide;1-[2-[[2-(3-bromo-2-fluoroanilino)-2-oxoethyl]-propan-2-ylamino]-2-oxoethyl]indazole-3-carboxamide;1-[2-[[2-[(6-bromo-2-pyridinyl)methylamino]-2-oxoethyl]-propan-2-ylamino]-2-oxoethyl]indazole-3-carboxamide;2-[2-[[2-[[2-(3-chloro-2-fluoroanilino)-2-oxoethyl]-propan-2-ylamino]-2-oxoethyl]amino]phenyl]-2-iminoacetamide;1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-cyclobutylamino]-2-oxoethyl]indazole-3-carboxamide;1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-(2-hydroxyethyl)amino]-2-oxoethyl]indazole-3-carboxamide.

What is the SMILES notation for 2-(6-amino-4-oxo-5H-pyrazolo[5,4-d]pyrimidin-1-yl)-N-[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-N-propan-2-ylacetamide;1-[2-[[2-(3-bromo-2-fluoroanilino)-2-oxoethyl]-propan-2-ylamino]-2-oxoethyl]indazole-3-carboxamide;1-[2-[[2-[(6-bromo-2-pyridinyl)methylamino]-2-oxoethyl]-propan-2-ylamino]-2-oxoethyl]indazole-3-carboxamide;2-[2-[[2-[[2-(3-chloro-2-fluoroanilino)-2-oxoethyl]-propan-2-ylamino]-2-oxoethyl]amino]phenyl]-2-iminoacetamide;1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-cyclobutylamino]-2-oxoethyl]indazole-3-carboxamide;1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-(2-hydroxyethyl)amino]-2-oxoethyl]indazole-3-carboxamide?

The canonical SMILES for 2-(6-amino-4-oxo-5H-pyrazolo[5,4-d]pyrimidin-1-yl)-N-[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-N-propan-2-ylacetamide;1-[2-[[2-(3-bromo-2-fluoroanilino)-2-oxoethyl]-propan-2-ylamino]-2-oxoethyl]indazole-3-carboxamide;1-[2-[[2-[(6-bromo-2-pyridinyl)methylamino]-2-oxoethyl]-propan-2-ylamino]-2-oxoethyl]indazole-3-carboxamide;2-[2-[[2-[[2-(3-chloro-2-fluoroanilino)-2-oxoethyl]-propan-2-ylamino]-2-oxoethyl]amino]phenyl]-2-iminoacetamide;1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-cyclobutylamino]-2-oxoethyl]indazole-3-carboxamide;1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-(2-hydroxyethyl)amino]-2-oxoethyl]indazole-3-carboxamide is CC(C)N(CC(=O)NCc1cccc(Br)n1)C(=O)Cn1nc(C(N)=O)c2ccccc21.CC(C)N(CC(=O)NCc1cccc(Cl)c1F)C(=O)Cn1ncc2c(=O)[nH]c(N)nc21.CC(C)N(CC(=O)Nc1cccc(Br)c1F)C(=O)Cn1nc(C(N)=O)c2ccccc21.NC(=O)c1nn(CC(=O)N(CC(=O)NCc2cccc(Cl)c2F)C2CCC2)c2ccccc12.NC(=O)c1nn(CC(=O)N(CCO)CC(=O)NCc2cccc(Cl)c2F)c2ccccc12.[H]/N=C(\C(N)=O)c1ccccc1NCC(=O)N(CC(=O)Nc1cccc(Cl)c1F)C(C)C.

What is the InChIKey of 2-(6-amino-4-oxo-5H-pyrazolo[5,4-d]pyrimidin-1-yl)-N-[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-N-propan-2-ylacetamide;1-[2-[[2-(3-bromo-2-fluoroanilino)-2-oxoethyl]-propan-2-ylamino]-2-oxoethyl]indazole-3-carboxamide;1-[2-[[2-[(6-bromo-2-pyridinyl)methylamino]-2-oxoethyl]-propan-2-ylamino]-2-oxoethyl]indazole-3-carboxamide;2-[2-[[2-[[2-(3-chloro-2-fluoroanilino)-2-oxoethyl]-propan-2-ylamino]-2-oxoethyl]amino]phenyl]-2-iminoacetamide;1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-cyclobutylamino]-2-oxoethyl]indazole-3-carboxamide;1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-(2-hydroxyethyl)amino]-2-oxoethyl]indazole-3-carboxamide?

The InChIKey is GCBIPYQBDWWMKI-DWSPEXHHSA-N. The full InChI is InChI=1S/C23H23ClFN5O3.C21H21BrFN5O3.C21H23BrN6O3.C21H21ClFN5O4.C21H23ClFN5O3.C19H21ClFN7O3/c24-17-9-3-5-14(21(17)25)11-27-19(31)12-29(15-6-4-7-15)20(32)13-30-18-10-2-1-8-16(18)22(28-30)23(26)33;1-12(2)27(10-17(29)25-15-8-5-7-14(22)19(15)23)18(30)11-28-16-9-4-3-6-13(16)20(26-28)21(24)31;1-13(2)27(11-18(29)24-10-14-6-5-9-17(22)25-14)19(30)12-28-16-8-4-3-7-15(16)20(26-28)21(23)31;22-15-6-3-4-13(19(15)23)10-25-17(30)11-27(8-9-29)18(31)12-28-16-7-2-1-5-14(16)20(26-28)21(24)32;1-12(2)28(11-17(29)27-16-9-5-7-14(22)19(16)23)18(30)10-26-15-8-4-3-6-13(15)20(24)21(25)31;1-10(2)27(8-14(29)23-6-11-4-3-5-13(20)16(11)21)15(30)9-28-17-12(7-24-28)18(31)26-19(22)25-17/h1-3,5,8-10,15H,4,6-7,11-13H2,(H2,26,33)(H,27,31);3-9,12H,10-11H2,1-2H3,(H2,24,31)(H,25,29);3-9,13H,10-12H2,1-2H3,(H2,23,31)(H,24,29);1-7,29H,8-12H2,(H2,24,32)(H,25,30);3-9,12,24,26H,10-11H2,1-2H3,(H2,25,31)(H,27,29);3-5,7,10H,6,8-9H2,1-2H3,(H,23,29)(H3,22,25,26,31)/b;;;;24-20-;.

What are the key properties of 2-(6-amino-4-oxo-5H-pyrazolo[5,4-d]pyrimidin-1-yl)-N-[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-N-propan-2-ylacetamide;1-[2-[[2-(3-bromo-2-fluoroanilino)-2-oxoethyl]-propan-2-ylamino]-2-oxoethyl]indazole-3-carboxamide;1-[2-[[2-[(6-bromo-2-pyridinyl)methylamino]-2-oxoethyl]-propan-2-ylamino]-2-oxoethyl]indazole-3-carboxamide;2-[2-[[2-[[2-(3-chloro-2-fluoroanilino)-2-oxoethyl]-propan-2-ylamino]-2-oxoethyl]amino]phenyl]-2-iminoacetamide;1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-cyclobutylamino]-2-oxoethyl]indazole-3-carboxamide;1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-(2-hydroxyethyl)amino]-2-oxoethyl]indazole-3-carboxamide?

2-(6-amino-4-oxo-5H-pyrazolo[5,4-d]pyrimidin-1-yl)-N-[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-N-propan-2-ylacetamide;1-[2-[[2-(3-bromo-2-fluoroanilino)-2-oxoethyl]-propan-2-ylamino]-2-oxoethyl]indazole-3-carboxamide;1-[2-[[2-[(6-bromo-2-pyridinyl)methylamino]-2-oxoethyl]-propan-2-ylamino]-2-oxoethyl]indazole-3-carboxamide;2-[2-[[2-[[2-(3-chloro-2-fluoroanilino)-2-oxoethyl]-propan-2-ylamino]-2-oxoethyl]amino]phenyl]-2-iminoacetamide;1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-cyclobutylamino]-2-oxoethyl]indazole-3-carboxamide;1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-(2-hydroxyethyl)amino]-2-oxoethyl]indazole-3-carboxamide has a molecular weight of 2809.26 g/mol, XLogP of 12.12, 48 rotatable bonds, 16 hydrogen bond donors, and 34 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(6-amino-4-oxo-5H-pyrazolo[5,4-d]pyrimidin-1-yl)-N-[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-N-propan-2-ylacetamide;1-[2-[[2-(3-bromo-2-fluoroanilino)-2-oxoethyl]-propan-2-ylamino]-2-oxoethyl]indazole-3-carboxamide;1-[2-[[2-[(6-bromo-2-pyridinyl)methylamino]-2-oxoethyl]-propan-2-ylamino]-2-oxoethyl]indazole-3-carboxamide;2-[2-[[2-[[2-(3-chloro-2-fluoroanilino)-2-oxoethyl]-propan-2-ylamino]-2-oxoethyl]amino]phenyl]-2-iminoacetamide;1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-cyclobutylamino]-2-oxoethyl]indazole-3-carboxamide;1-[2-[[2-[(3-chloro-2-fluorophenyl)methylamino]-2-oxoethyl]-(2-hydroxyethyl)amino]-2-oxoethyl]indazole-3-carboxamide is sourced from PubChem (CID 158210904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).