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

C17H16F5N7O2 — CID 71273879

IUPAC3-amino-N-[6-[(4R)-2-amino-5,5-difluoro-4-methyl-6H-1,3-oxazin-4-yl]-5-fluoro-2-pyridinyl]-5-(1,1-difluoroethyl)pyrazine-2-carboxamide
SMILESCC(F)(F)c1cnc(C(=O)Nc2ccc(F)c([C@@]3(C)N=C(N)OCC3(F)F)n2)c(N)n1
InChIInChI=1S/C17H16F5N7O2/c1-15(17(21,22)6-31-14(24)29-15)11-7(18)3-4-9(27-11)28-13(30)10-12(23)26-8(5-25-10)16(2,19)20/h3-5H,6H2,1-2H3,(H2,23,26)(H2,24,29)(H,27,28,30)/t15-/m1/s1
InChIKeyGEYFZFDMDJIWCM-OAHLLOKOSA-N
MW445.35 g/mol
LogP2.15
Rot. Bonds4

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

3-amino-N-[6-[(4R)-2-amino-5,5-difluoro-4-methyl-6H-1,3-oxazin-4-yl]-5-fluoro-2-pyridinyl]-5-(1,1-difluoroethyl)pyrazine-2-carboxamide (PubChem CID 71273879) has the molecular formula C17H16F5N7O2 and a molecular weight of 445.35 g/mol. Its IUPAC name is 3-amino-N-[6-[(4R)-2-amino-5,5-difluoro-4-methyl-6H-1,3-oxazin-4-yl]-5-fluoro-2-pyridinyl]-5-(1,1-difluoroethyl)pyrazine-2-carboxamide.

Molecular Properties

Compound Name3-amino-N-[6-[(4R)-2-amino-5,5-difluoro-4-methyl-6H-1,3-oxazin-4-yl]-5-fluoro-2-pyridinyl]-5-(1,1-difluoroethyl)pyrazine-2-carboxamide
PubChem CID71273879
Molecular FormulaC17H16F5N7O2
Molecular Weight445.35 g/mol
Exact Mass445.13
IUPAC Name3-amino-N-[6-[(4R)-2-amino-5,5-difluoro-4-methyl-6H-1,3-oxazin-4-yl]-5-fluoro-2-pyridinyl]-5-(1,1-difluoroethyl)pyrazine-2-carboxamide
SMILESCC(F)(F)c1cnc(C(=O)Nc2ccc(F)c([C@@]3(C)N=C(N)OCC3(F)F)n2)c(N)n1
InChIInChI=1S/C17H16F5N7O2/c1-15(17(21,22)6-31-14(24)29-15)11-7(18)3-4-9(27-11)28-13(30)10-12(23)26-8(5-25-10)16(2,19)20/h3-5H,6H2,1-2H3,(H2,23,26)(H2,24,29)(H,27,28,30)/t15-/m1/s1
InChIKeyGEYFZFDMDJIWCM-OAHLLOKOSA-N
XLogP2.15
TPSA141.40 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.35
LogP ≤ 52.15
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

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

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Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[6-[(4R)-2-amino-5,5-difluoro-4-methyl-6H-1,3-oxazin-4-yl]-5-fluoro-2-pyridinyl]-5-(1,1-difluoroethyl)pyrazine-2-carboxamide?
The IUPAC name of 3-amino-N-[6-[(4R)-2-amino-5,5-difluoro-4-methyl-6H-1,3-oxazin-4-yl]-5-fluoro-2-pyridinyl]-5-(1,1-difluoroethyl)pyrazine-2-carboxamide (CID 71273879) is 3-amino-N-[6-[(4R)-2-amino-5,5-difluoro-4-methyl-6H-1,3-oxazin-4-yl]-5-fluoro-2-pyridinyl]-5-(1,1-difluoroethyl)pyrazine-2-carboxamide.
What is the SMILES notation for 3-amino-N-[6-[(4R)-2-amino-5,5-difluoro-4-methyl-6H-1,3-oxazin-4-yl]-5-fluoro-2-pyridinyl]-5-(1,1-difluoroethyl)pyrazine-2-carboxamide?
The canonical SMILES for 3-amino-N-[6-[(4R)-2-amino-5,5-difluoro-4-methyl-6H-1,3-oxazin-4-yl]-5-fluoro-2-pyridinyl]-5-(1,1-difluoroethyl)pyrazine-2-carboxamide is CC(F)(F)c1cnc(C(=O)Nc2ccc(F)c([C@@]3(C)N=C(N)OCC3(F)F)n2)c(N)n1.
What is the InChIKey of 3-amino-N-[6-[(4R)-2-amino-5,5-difluoro-4-methyl-6H-1,3-oxazin-4-yl]-5-fluoro-2-pyridinyl]-5-(1,1-difluoroethyl)pyrazine-2-carboxamide?
The InChIKey is GEYFZFDMDJIWCM-OAHLLOKOSA-N. The full InChI is InChI=1S/C17H16F5N7O2/c1-15(17(21,22)6-31-14(24)29-15)11-7(18)3-4-9(27-11)28-13(30)10-12(23)26-8(5-25-10)16(2,19)20/h3-5H,6H2,1-2H3,(H2,23,26)(H2,24,29)(H,27,28,30)/t15-/m1/s1.
What are the key properties of 3-amino-N-[6-[(4R)-2-amino-5,5-difluoro-4-methyl-6H-1,3-oxazin-4-yl]-5-fluoro-2-pyridinyl]-5-(1,1-difluoroethyl)pyrazine-2-carboxamide?
3-amino-N-[6-[(4R)-2-amino-5,5-difluoro-4-methyl-6H-1,3-oxazin-4-yl]-5-fluoro-2-pyridinyl]-5-(1,1-difluoroethyl)pyrazine-2-carboxamide has a molecular weight of 445.35 g/mol, XLogP of 2.15, 4 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[6-[(4R)-2-amino-5,5-difluoro-4-methyl-6H-1,3-oxazin-4-yl]-5-fluoro-2-pyridinyl]-5-(1,1-difluoroethyl)pyrazine-2-carboxamide is sourced from PubChem (CID 71273879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).