chloromethane;2-[5-[(4-fluorophenyl)methyl]-1H-imidazol-2-yl]-3-hydroxy-9-(3-methyl-2-oxoimidazolidin-1-yl)-7-morpholin-4-ylpyrido[1,2-a]pyrimidin-4-one

C27H29ClFN7O4 — CID 143919832

About chloromethane;2-[5-[(4-fluorophenyl)methyl]-1H-imidazol-2-yl]-3-hydroxy-9-(3-methyl-2-oxoimidazolidin-1-yl)-7-morpholin-4-ylpyrido[1,2-a]pyrimidin-4-one

chloromethane;2-[5-[(4-fluorophenyl)methyl]-1H-imidazol-2-yl]-3-hydroxy-9-(3-methyl-2-oxoimidazolidin-1-yl)-7-morpholin-4-ylpyrido[1,2-a]pyrimidin-4-one (PubChem CID 143919832) has the molecular formula C27H29ClFN7O4 and a molecular weight of 570.03 g/mol. Its IUPAC name is chloromethane;2-[5-[(4-fluorophenyl)methyl]-1H-imidazol-2-yl]-3-hydroxy-9-(3-methyl-2-oxoimidazolidin-1-yl)-7-morpholin-4-ylpyrido[1,2-a]pyrimidin-4-one.

Molecular Properties

• Compound Name: chloromethane;2-[5-[(4-fluorophenyl)methyl]-1H-imidazol-2-yl]-3-hydroxy-9-(3-methyl-2-oxoimidazolidin-1-yl)-7-morpholin-4-ylpyrido[1,2-a]pyrimidin-4-one
• PubChem CID: 143919832
• Molecular Formula: C27H29ClFN7O4
• Molecular Weight: 570.03 g/mol
• Exact Mass: 569.20
• IUPAC Name: chloromethane;2-[5-[(4-fluorophenyl)methyl]-1H-imidazol-2-yl]-3-hydroxy-9-(3-methyl-2-oxoimidazolidin-1-yl)-7-morpholin-4-ylpyrido[1,2-a]pyrimidin-4-one
• SMILES: CCl.CN1CCN(c2cc(N3CCOCC3)cn3c(=O)c(O)c(-c4ncc(Cc5ccc(F)cc5)[nH]4)nc23)C1=O
• InChI: InChI=1S/C26H26FN7O4.CH3Cl/c1-31-6-7-33(26(31)37)20-13-19(32-8-10-38-11-9-32)15-34-24(20)30-21(22(35)25(34)36)23-28-14-18(29-23)12-16-2-4-17(27)5-3-16;1-2/h2-5,13-15,35H,6-12H2,1H3,(H,28,29);1H3
• InChIKey: YVPTXJCBXZOJFN-UHFFFAOYSA-N
• XLogP: 3.08
• TPSA: 119.30 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 5
• Heavy Atoms: 40
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	570.03
LogP ≤ 5	3.08
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of chloromethane;2-[5-[(4-fluorophenyl)methyl]-1H-imidazol-2-yl]-3-hydroxy-9-(3-methyl-2-oxoimidazolidin-1-yl)-7-morpholin-4-ylpyrido[1,2-a]pyrimidin-4-one?

The IUPAC name of chloromethane;2-[5-[(4-fluorophenyl)methyl]-1H-imidazol-2-yl]-3-hydroxy-9-(3-methyl-2-oxoimidazolidin-1-yl)-7-morpholin-4-ylpyrido[1,2-a]pyrimidin-4-one (CID 143919832) is chloromethane;2-[5-[(4-fluorophenyl)methyl]-1H-imidazol-2-yl]-3-hydroxy-9-(3-methyl-2-oxoimidazolidin-1-yl)-7-morpholin-4-ylpyrido[1,2-a]pyrimidin-4-one.

What is the SMILES notation for chloromethane;2-[5-[(4-fluorophenyl)methyl]-1H-imidazol-2-yl]-3-hydroxy-9-(3-methyl-2-oxoimidazolidin-1-yl)-7-morpholin-4-ylpyrido[1,2-a]pyrimidin-4-one?

The canonical SMILES for chloromethane;2-[5-[(4-fluorophenyl)methyl]-1H-imidazol-2-yl]-3-hydroxy-9-(3-methyl-2-oxoimidazolidin-1-yl)-7-morpholin-4-ylpyrido[1,2-a]pyrimidin-4-one is CCl.CN1CCN(c2cc(N3CCOCC3)cn3c(=O)c(O)c(-c4ncc(Cc5ccc(F)cc5)[nH]4)nc23)C1=O.

What is the InChIKey of chloromethane;2-[5-[(4-fluorophenyl)methyl]-1H-imidazol-2-yl]-3-hydroxy-9-(3-methyl-2-oxoimidazolidin-1-yl)-7-morpholin-4-ylpyrido[1,2-a]pyrimidin-4-one?

The InChIKey is YVPTXJCBXZOJFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26FN7O4.CH3Cl/c1-31-6-7-33(26(31)37)20-13-19(32-8-10-38-11-9-32)15-34-24(20)30-21(22(35)25(34)36)23-28-14-18(29-23)12-16-2-4-17(27)5-3-16;1-2/h2-5,13-15,35H,6-12H2,1H3,(H,28,29);1H3.

What are the key properties of chloromethane;2-[5-[(4-fluorophenyl)methyl]-1H-imidazol-2-yl]-3-hydroxy-9-(3-methyl-2-oxoimidazolidin-1-yl)-7-morpholin-4-ylpyrido[1,2-a]pyrimidin-4-one?

chloromethane;2-[5-[(4-fluorophenyl)methyl]-1H-imidazol-2-yl]-3-hydroxy-9-(3-methyl-2-oxoimidazolidin-1-yl)-7-morpholin-4-ylpyrido[1,2-a]pyrimidin-4-one has a molecular weight of 570.03 g/mol, XLogP of 3.08, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for chloromethane;2-[5-[(4-fluorophenyl)methyl]-1H-imidazol-2-yl]-3-hydroxy-9-(3-methyl-2-oxoimidazolidin-1-yl)-7-morpholin-4-ylpyrido[1,2-a]pyrimidin-4-one is sourced from PubChem (CID 143919832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).