2-[6-[(4R)-2-amino-5,5-difluoro-4-methyl-6H-1,3-oxazin-4-yl]-5-fluoro-2-pyridinyl]-1-[3-chloro-5-(1,1-difluoroethyl)-2-pyridinyl]ethanone

C19H16ClF5N4O2 — CID 146991006

IUPAC2-[6-[(4R)-2-amino-5,5-difluoro-4-methyl-6H-1,3-oxazin-4-yl]-5-fluoro-2-pyridinyl]-1-[3-chloro-5-(1,1-difluoroethyl)-2-pyridinyl]ethanone
SMILESCC(F)(F)c1cnc(C(=O)Cc2ccc(F)c([C@@]3(C)N=C(N)OCC3(F)F)n2)c(Cl)c1
InChIInChI=1S/C19H16ClF5N4O2/c1-17(19(24,25)8-31-16(26)29-17)15-12(21)4-3-10(28-15)6-13(30)14-11(20)5-9(7-27-14)18(2,22)23/h3-5,7H,6,8H2,1-2H3,(H2,26,29)/t17-/m1/s1
InChIKeyAQESGQKROAUQOE-QGZVFWFLSA-N
MW462.81 g/mol
LogP4.00
Rot. Bonds5

About 2-[6-[(4R)-2-amino-5,5-difluoro-4-methyl-6H-1,3-oxazin-4-yl]-5-fluoro-2-pyridinyl]-1-[3-chloro-5-(1,1-difluoroethyl)-2-pyridinyl]ethanone

2-[6-[(4R)-2-amino-5,5-difluoro-4-methyl-6H-1,3-oxazin-4-yl]-5-fluoro-2-pyridinyl]-1-[3-chloro-5-(1,1-difluoroethyl)-2-pyridinyl]ethanone (PubChem CID 146991006) has the molecular formula C19H16ClF5N4O2 and a molecular weight of 462.81 g/mol. Its IUPAC name is 2-[6-[(4R)-2-amino-5,5-difluoro-4-methyl-6H-1,3-oxazin-4-yl]-5-fluoro-2-pyridinyl]-1-[3-chloro-5-(1,1-difluoroethyl)-2-pyridinyl]ethanone.

Molecular Properties

Compound Name2-[6-[(4R)-2-amino-5,5-difluoro-4-methyl-6H-1,3-oxazin-4-yl]-5-fluoro-2-pyridinyl]-1-[3-chloro-5-(1,1-difluoroethyl)-2-pyridinyl]ethanone
PubChem CID146991006
Molecular FormulaC19H16ClF5N4O2
Molecular Weight462.81 g/mol
Exact Mass462.09
IUPAC Name2-[6-[(4R)-2-amino-5,5-difluoro-4-methyl-6H-1,3-oxazin-4-yl]-5-fluoro-2-pyridinyl]-1-[3-chloro-5-(1,1-difluoroethyl)-2-pyridinyl]ethanone
SMILESCC(F)(F)c1cnc(C(=O)Cc2ccc(F)c([C@@]3(C)N=C(N)OCC3(F)F)n2)c(Cl)c1
InChIInChI=1S/C19H16ClF5N4O2/c1-17(19(24,25)8-31-16(26)29-17)15-12(21)4-3-10(28-15)6-13(30)14-11(20)5-9(7-27-14)18(2,22)23/h3-5,7H,6,8H2,1-2H3,(H2,26,29)/t17-/m1/s1
InChIKeyAQESGQKROAUQOE-QGZVFWFLSA-N
XLogP4.00
TPSA90.46 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500462.81
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-[6-[(4R)-2-amino-5,5-difluoro-4-methyl-6H-1,3-oxazin-4-yl]-5-fluoro-2-pyridinyl]-1-[3-chloro-5-(1,1-difluoroethyl)-2-pyridinyl]ethanone with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-[6-[(4R)-2-amino-5,5-difluoro-4-methyl-6H-1,3-oxazin-4-yl]-5-fluoro-2-pyridinyl]-1-[3-chloro-5-(1,1-difluoroethyl)-2-pyridinyl]ethanone?
The IUPAC name of 2-[6-[(4R)-2-amino-5,5-difluoro-4-methyl-6H-1,3-oxazin-4-yl]-5-fluoro-2-pyridinyl]-1-[3-chloro-5-(1,1-difluoroethyl)-2-pyridinyl]ethanone (CID 146991006) is 2-[6-[(4R)-2-amino-5,5-difluoro-4-methyl-6H-1,3-oxazin-4-yl]-5-fluoro-2-pyridinyl]-1-[3-chloro-5-(1,1-difluoroethyl)-2-pyridinyl]ethanone.
What is the SMILES notation for 2-[6-[(4R)-2-amino-5,5-difluoro-4-methyl-6H-1,3-oxazin-4-yl]-5-fluoro-2-pyridinyl]-1-[3-chloro-5-(1,1-difluoroethyl)-2-pyridinyl]ethanone?
The canonical SMILES for 2-[6-[(4R)-2-amino-5,5-difluoro-4-methyl-6H-1,3-oxazin-4-yl]-5-fluoro-2-pyridinyl]-1-[3-chloro-5-(1,1-difluoroethyl)-2-pyridinyl]ethanone is CC(F)(F)c1cnc(C(=O)Cc2ccc(F)c([C@@]3(C)N=C(N)OCC3(F)F)n2)c(Cl)c1.
What is the InChIKey of 2-[6-[(4R)-2-amino-5,5-difluoro-4-methyl-6H-1,3-oxazin-4-yl]-5-fluoro-2-pyridinyl]-1-[3-chloro-5-(1,1-difluoroethyl)-2-pyridinyl]ethanone?
The InChIKey is AQESGQKROAUQOE-QGZVFWFLSA-N. The full InChI is InChI=1S/C19H16ClF5N4O2/c1-17(19(24,25)8-31-16(26)29-17)15-12(21)4-3-10(28-15)6-13(30)14-11(20)5-9(7-27-14)18(2,22)23/h3-5,7H,6,8H2,1-2H3,(H2,26,29)/t17-/m1/s1.
What are the key properties of 2-[6-[(4R)-2-amino-5,5-difluoro-4-methyl-6H-1,3-oxazin-4-yl]-5-fluoro-2-pyridinyl]-1-[3-chloro-5-(1,1-difluoroethyl)-2-pyridinyl]ethanone?
2-[6-[(4R)-2-amino-5,5-difluoro-4-methyl-6H-1,3-oxazin-4-yl]-5-fluoro-2-pyridinyl]-1-[3-chloro-5-(1,1-difluoroethyl)-2-pyridinyl]ethanone has a molecular weight of 462.81 g/mol, XLogP of 4.00, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-[(4R)-2-amino-5,5-difluoro-4-methyl-6H-1,3-oxazin-4-yl]-5-fluoro-2-pyridinyl]-1-[3-chloro-5-(1,1-difluoroethyl)-2-pyridinyl]ethanone is sourced from PubChem (CID 146991006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).