potassiopotassium;propan-2-yl 2-(4-fluoro-2-methyl-5-nitroanilino)-4-imidazo[1,2-a]pyridin-3-ylpyrimidine-5-carboxylate

C22H19FK38N6O4 — CID 159768094

About potassiopotassium;propan-2-yl 2-(4-fluoro-2-methyl-5-nitroanilino)-4-imidazo[1,2-a]pyridin-3-ylpyrimidine-5-carboxylate

potassiopotassium;propan-2-yl 2-(4-fluoro-2-methyl-5-nitroanilino)-4-imidazo[1,2-a]pyridin-3-ylpyrimidine-5-carboxylate (PubChem CID 159768094) has the molecular formula C22H19FK38N6O4 and a molecular weight of 1936.15 g/mol. Its IUPAC name is potassiopotassium;propan-2-yl 2-(4-fluoro-2-methyl-5-nitroanilino)-4-imidazo[1,2-a]pyridin-3-ylpyrimidine-5-carboxylate.

Molecular Properties

• Compound Name: potassiopotassium;propan-2-yl 2-(4-fluoro-2-methyl-5-nitroanilino)-4-imidazo[1,2-a]pyridin-3-ylpyrimidine-5-carboxylate
• PubChem CID: 159768094
• Molecular Formula: C22H19FK38N6O4
• Molecular Weight: 1936.15 g/mol
• Exact Mass: 1930.77
• IUPAC Name: potassiopotassium;propan-2-yl 2-(4-fluoro-2-methyl-5-nitroanilino)-4-imidazo[1,2-a]pyridin-3-ylpyrimidine-5-carboxylate
• SMILES: Cc1cc(F)c([N+](=O)[O-])cc1Nc1ncc(C(=O)OC(C)C)c(-c2cnc3ccccn23)n1.[K][K].[K][K].[K][K].[K][K].[K][K].[K][K].[K][K].[K][K].[K][K].[K][K].[K][K].[K][K].[K][K].[K][K].[K][K].[K][K].[K][K].[K][K].[K][K]
• InChI: InChI=1S/C22H19FN6O4.38K/c1-12(2)33-21(30)14-10-25-22(26-16-9-17(29(31)32)15(23)8-13(16)3)27-20(14)18-11-24-19-6-4-5-7-28(18)19;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/h4-12H,1-3H3,(H,25,26,27)
• InChIKey: NFTKEILENWVUKE-UHFFFAOYSA-N
• XLogP: -10.01
• TPSA: 124.55 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 9
• Rotatable Bonds: 6
• Heavy Atoms: 71
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	1936.15
LogP ≤ 5	-10.01
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	9

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of potassiopotassium;propan-2-yl 2-(4-fluoro-2-methyl-5-nitroanilino)-4-imidazo[1,2-a]pyridin-3-ylpyrimidine-5-carboxylate?

The IUPAC name of potassiopotassium;propan-2-yl 2-(4-fluoro-2-methyl-5-nitroanilino)-4-imidazo[1,2-a]pyridin-3-ylpyrimidine-5-carboxylate (CID 159768094) is potassiopotassium;propan-2-yl 2-(4-fluoro-2-methyl-5-nitroanilino)-4-imidazo[1,2-a]pyridin-3-ylpyrimidine-5-carboxylate.

What is the SMILES notation for potassiopotassium;propan-2-yl 2-(4-fluoro-2-methyl-5-nitroanilino)-4-imidazo[1,2-a]pyridin-3-ylpyrimidine-5-carboxylate?

The canonical SMILES for potassiopotassium;propan-2-yl 2-(4-fluoro-2-methyl-5-nitroanilino)-4-imidazo[1,2-a]pyridin-3-ylpyrimidine-5-carboxylate is Cc1cc(F)c([N+](=O)[O-])cc1Nc1ncc(C(=O)OC(C)C)c(-c2cnc3ccccn23)n1.[K][K].[K][K].[K][K].[K][K].[K][K].[K][K].[K][K].[K][K].[K][K].[K][K].[K][K].[K][K].[K][K].[K][K].[K][K].[K][K].[K][K].[K][K].[K][K].

What is the InChIKey of potassiopotassium;propan-2-yl 2-(4-fluoro-2-methyl-5-nitroanilino)-4-imidazo[1,2-a]pyridin-3-ylpyrimidine-5-carboxylate?

The InChIKey is NFTKEILENWVUKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19FN6O4.38K/c1-12(2)33-21(30)14-10-25-22(26-16-9-17(29(31)32)15(23)8-13(16)3)27-20(14)18-11-24-19-6-4-5-7-28(18)19;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/h4-12H,1-3H3,(H,25,26,27);;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;.

What are the key properties of potassiopotassium;propan-2-yl 2-(4-fluoro-2-methyl-5-nitroanilino)-4-imidazo[1,2-a]pyridin-3-ylpyrimidine-5-carboxylate?

potassiopotassium;propan-2-yl 2-(4-fluoro-2-methyl-5-nitroanilino)-4-imidazo[1,2-a]pyridin-3-ylpyrimidine-5-carboxylate has a molecular weight of 1936.15 g/mol, XLogP of -10.01, 6 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for potassiopotassium;propan-2-yl 2-(4-fluoro-2-methyl-5-nitroanilino)-4-imidazo[1,2-a]pyridin-3-ylpyrimidine-5-carboxylate is sourced from PubChem (CID 159768094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).