2-[6-[(4R,5R,6R)-2-amino-5-fluoro-6-(fluoromethyl)-4-methyl-5,6-dihydro-1,3-oxazin-4-yl]-5-fluoro-2-pyridinyl]-1-[5-(fluoromethoxy)pyrazin-2-yl]ethanone

C18H17F4N5O3 — CID 146978598

IUPAC2-[6-[(4R,5R,6R)-2-amino-5-fluoro-6-(fluoromethyl)-4-methyl-5,6-dihydro-1,3-oxazin-4-yl]-5-fluoro-2-pyridinyl]-1-[5-(fluoromethoxy)pyrazin-2-yl]ethanone
SMILESC[C@]1(c2nc(CC(=O)c3cnc(OCF)cn3)ccc2F)N=C(N)O[C@H](CF)[C@@H]1F
InChIInChI=1S/C18H17F4N5O3/c1-18(15(22)13(5-19)30-17(23)27-18)16-10(21)3-2-9(26-16)4-12(28)11-6-25-14(7-24-11)29-8-20/h2-3,6-7,13,15H,4-5,8H2,1H3,(H2,23,27)/t13-,15+,18+/m1/s1
InChIKeyANVZVKRZNJRODB-XUWXXGDYSA-N
MW427.36 g/mol
LogP1.98
Rot. Bonds7

About 2-[6-[(4R,5R,6R)-2-amino-5-fluoro-6-(fluoromethyl)-4-methyl-5,6-dihydro-1,3-oxazin-4-yl]-5-fluoro-2-pyridinyl]-1-[5-(fluoromethoxy)pyrazin-2-yl]ethanone

2-[6-[(4R,5R,6R)-2-amino-5-fluoro-6-(fluoromethyl)-4-methyl-5,6-dihydro-1,3-oxazin-4-yl]-5-fluoro-2-pyridinyl]-1-[5-(fluoromethoxy)pyrazin-2-yl]ethanone (PubChem CID 146978598) has the molecular formula C18H17F4N5O3 and a molecular weight of 427.36 g/mol. Its IUPAC name is 2-[6-[(4R,5R,6R)-2-amino-5-fluoro-6-(fluoromethyl)-4-methyl-5,6-dihydro-1,3-oxazin-4-yl]-5-fluoro-2-pyridinyl]-1-[5-(fluoromethoxy)pyrazin-2-yl]ethanone.

Molecular Properties

Compound Name2-[6-[(4R,5R,6R)-2-amino-5-fluoro-6-(fluoromethyl)-4-methyl-5,6-dihydro-1,3-oxazin-4-yl]-5-fluoro-2-pyridinyl]-1-[5-(fluoromethoxy)pyrazin-2-yl]ethanone
PubChem CID146978598
Molecular FormulaC18H17F4N5O3
Molecular Weight427.36 g/mol
Exact Mass427.13
IUPAC Name2-[6-[(4R,5R,6R)-2-amino-5-fluoro-6-(fluoromethyl)-4-methyl-5,6-dihydro-1,3-oxazin-4-yl]-5-fluoro-2-pyridinyl]-1-[5-(fluoromethoxy)pyrazin-2-yl]ethanone
SMILESC[C@]1(c2nc(CC(=O)c3cnc(OCF)cn3)ccc2F)N=C(N)O[C@H](CF)[C@@H]1F
InChIInChI=1S/C18H17F4N5O3/c1-18(15(22)13(5-19)30-17(23)27-18)16-10(21)3-2-9(26-16)4-12(28)11-6-25-14(7-24-11)29-8-20/h2-3,6-7,13,15H,4-5,8H2,1H3,(H2,23,27)/t13-,15+,18+/m1/s1
InChIKeyANVZVKRZNJRODB-XUWXXGDYSA-N
XLogP1.98
TPSA112.58 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.36
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 2-[6-[(4R,5R,6R)-2-amino-5-fluoro-6-(fluoromethyl)-4-methyl-5,6-dihydro-1,3-oxazin-4-yl]-5-fluoro-2-pyridinyl]-1-[5-(fluoromethoxy)pyrazin-2-yl]ethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[6-[(4R,5R,6R)-2-amino-5-fluoro-6-(fluoromethyl)-4-methyl-5,6-dihydro-1,3-oxazin-4-yl]-5-fluoro-2-pyridinyl]-1-[5-(fluoromethoxy)pyrazin-2-yl]ethanone?
The IUPAC name of 2-[6-[(4R,5R,6R)-2-amino-5-fluoro-6-(fluoromethyl)-4-methyl-5,6-dihydro-1,3-oxazin-4-yl]-5-fluoro-2-pyridinyl]-1-[5-(fluoromethoxy)pyrazin-2-yl]ethanone (CID 146978598) is 2-[6-[(4R,5R,6R)-2-amino-5-fluoro-6-(fluoromethyl)-4-methyl-5,6-dihydro-1,3-oxazin-4-yl]-5-fluoro-2-pyridinyl]-1-[5-(fluoromethoxy)pyrazin-2-yl]ethanone.
What is the SMILES notation for 2-[6-[(4R,5R,6R)-2-amino-5-fluoro-6-(fluoromethyl)-4-methyl-5,6-dihydro-1,3-oxazin-4-yl]-5-fluoro-2-pyridinyl]-1-[5-(fluoromethoxy)pyrazin-2-yl]ethanone?
The canonical SMILES for 2-[6-[(4R,5R,6R)-2-amino-5-fluoro-6-(fluoromethyl)-4-methyl-5,6-dihydro-1,3-oxazin-4-yl]-5-fluoro-2-pyridinyl]-1-[5-(fluoromethoxy)pyrazin-2-yl]ethanone is C[C@]1(c2nc(CC(=O)c3cnc(OCF)cn3)ccc2F)N=C(N)O[C@H](CF)[C@@H]1F.
What is the InChIKey of 2-[6-[(4R,5R,6R)-2-amino-5-fluoro-6-(fluoromethyl)-4-methyl-5,6-dihydro-1,3-oxazin-4-yl]-5-fluoro-2-pyridinyl]-1-[5-(fluoromethoxy)pyrazin-2-yl]ethanone?
The InChIKey is ANVZVKRZNJRODB-XUWXXGDYSA-N. The full InChI is InChI=1S/C18H17F4N5O3/c1-18(15(22)13(5-19)30-17(23)27-18)16-10(21)3-2-9(26-16)4-12(28)11-6-25-14(7-24-11)29-8-20/h2-3,6-7,13,15H,4-5,8H2,1H3,(H2,23,27)/t13-,15+,18+/m1/s1.
What are the key properties of 2-[6-[(4R,5R,6R)-2-amino-5-fluoro-6-(fluoromethyl)-4-methyl-5,6-dihydro-1,3-oxazin-4-yl]-5-fluoro-2-pyridinyl]-1-[5-(fluoromethoxy)pyrazin-2-yl]ethanone?
2-[6-[(4R,5R,6R)-2-amino-5-fluoro-6-(fluoromethyl)-4-methyl-5,6-dihydro-1,3-oxazin-4-yl]-5-fluoro-2-pyridinyl]-1-[5-(fluoromethoxy)pyrazin-2-yl]ethanone has a molecular weight of 427.36 g/mol, XLogP of 1.98, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-[(4R,5R,6R)-2-amino-5-fluoro-6-(fluoromethyl)-4-methyl-5,6-dihydro-1,3-oxazin-4-yl]-5-fluoro-2-pyridinyl]-1-[5-(fluoromethoxy)pyrazin-2-yl]ethanone is sourced from PubChem (CID 146978598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).