[5-[[3-bromo-4-[(2,4-difluorophenyl)methoxy]-6-methyl-2-oxo-1-pyridinyl]methyl]pyrazin-2-yl] N-methylcarbamate

C20H17BrF2N4O4 — CID 90990490

About [5-[[3-bromo-4-[(2,4-difluorophenyl)methoxy]-6-methyl-2-oxo-1-pyridinyl]methyl]pyrazin-2-yl] N-methylcarbamate

[5-[[3-bromo-4-[(2,4-difluorophenyl)methoxy]-6-methyl-2-oxo-1-pyridinyl]methyl]pyrazin-2-yl] N-methylcarbamate (PubChem CID 90990490) has the molecular formula C20H17BrF2N4O4 and a molecular weight of 495.28 g/mol. Its IUPAC name is [5-[[3-bromo-4-[(2,4-difluorophenyl)methoxy]-6-methyl-2-oxo-1-pyridinyl]methyl]pyrazin-2-yl] N-methylcarbamate.

Molecular Properties

• Compound Name: [5-[[3-bromo-4-[(2,4-difluorophenyl)methoxy]-6-methyl-2-oxo-1-pyridinyl]methyl]pyrazin-2-yl] N-methylcarbamate
• PubChem CID: 90990490
• Molecular Formula: C20H17BrF2N4O4
• Molecular Weight: 495.28 g/mol
• Exact Mass: 494.04
• IUPAC Name: [5-[[3-bromo-4-[(2,4-difluorophenyl)methoxy]-6-methyl-2-oxo-1-pyridinyl]methyl]pyrazin-2-yl] N-methylcarbamate
• SMILES: CNC(=O)Oc1cnc(Cn2c(C)cc(OCc3ccc(F)cc3F)c(Br)c2=O)cn1
• InChI: InChI=1S/C20H17BrF2N4O4/c1-11-5-16(30-10-12-3-4-13(22)6-15(12)23)18(21)19(28)27(11)9-14-7-26-17(8-25-14)31-20(29)24-2/h3-8H,9-10H2,1-2H3,(H,24,29)
• InChIKey: GSFZJBCTXAAGHB-UHFFFAOYSA-N
• XLogP: 3.33
• TPSA: 95.34 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 6
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	495.28
LogP ≤ 5	3.33
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of [5-[[3-bromo-4-[(2,4-difluorophenyl)methoxy]-6-methyl-2-oxo-1-pyridinyl]methyl]pyrazin-2-yl] N-methylcarbamate?

The IUPAC name of [5-[[3-bromo-4-[(2,4-difluorophenyl)methoxy]-6-methyl-2-oxo-1-pyridinyl]methyl]pyrazin-2-yl] N-methylcarbamate (CID 90990490) is [5-[[3-bromo-4-[(2,4-difluorophenyl)methoxy]-6-methyl-2-oxo-1-pyridinyl]methyl]pyrazin-2-yl] N-methylcarbamate.

What is the SMILES notation for [5-[[3-bromo-4-[(2,4-difluorophenyl)methoxy]-6-methyl-2-oxo-1-pyridinyl]methyl]pyrazin-2-yl] N-methylcarbamate?

The canonical SMILES for [5-[[3-bromo-4-[(2,4-difluorophenyl)methoxy]-6-methyl-2-oxo-1-pyridinyl]methyl]pyrazin-2-yl] N-methylcarbamate is CNC(=O)Oc1cnc(Cn2c(C)cc(OCc3ccc(F)cc3F)c(Br)c2=O)cn1.

What is the InChIKey of [5-[[3-bromo-4-[(2,4-difluorophenyl)methoxy]-6-methyl-2-oxo-1-pyridinyl]methyl]pyrazin-2-yl] N-methylcarbamate?

The InChIKey is GSFZJBCTXAAGHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17BrF2N4O4/c1-11-5-16(30-10-12-3-4-13(22)6-15(12)23)18(21)19(28)27(11)9-14-7-26-17(8-25-14)31-20(29)24-2/h3-8H,9-10H2,1-2H3,(H,24,29).

What are the key properties of [5-[[3-bromo-4-[(2,4-difluorophenyl)methoxy]-6-methyl-2-oxo-1-pyridinyl]methyl]pyrazin-2-yl] N-methylcarbamate?

[5-[[3-bromo-4-[(2,4-difluorophenyl)methoxy]-6-methyl-2-oxo-1-pyridinyl]methyl]pyrazin-2-yl] N-methylcarbamate has a molecular weight of 495.28 g/mol, XLogP of 3.33, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for [5-[[3-bromo-4-[(2,4-difluorophenyl)methoxy]-6-methyl-2-oxo-1-pyridinyl]methyl]pyrazin-2-yl] N-methylcarbamate is sourced from PubChem (CID 90990490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).