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

C17H16F5N7O3 — CID 129158424

IUPAC[3-amino-5-(1,1-difluoroethyl)pyrazin-2-yl] N-[6-[(4R)-2-amino-5,5-difluoro-4-methyl-6H-1,3-oxazin-4-yl]-5-fluoro-2-pyridinyl]carbamate
SMILESCC(F)(F)c1cnc(OC(=O)Nc2ccc(F)c([C@@]3(C)N=C(N)OCC3(F)F)n2)c(N)n1
InChIInChI=1S/C17H16F5N7O3/c1-15(17(21,22)6-31-13(24)29-15)10-7(18)3-4-9(27-10)28-14(30)32-12-11(23)26-8(5-25-12)16(2,19)20/h3-5H,6H2,1-2H3,(H2,23,26)(H2,24,29)(H,27,28,30)/t15-/m1/s1
InChIKeyIACCLTVSJCJPGB-OAHLLOKOSA-N
MW461.35 g/mol
LogP2.51
Rot. Bonds4

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

[3-amino-5-(1,1-difluoroethyl)pyrazin-2-yl] N-[6-[(4R)-2-amino-5,5-difluoro-4-methyl-6H-1,3-oxazin-4-yl]-5-fluoro-2-pyridinyl]carbamate (PubChem CID 129158424) has the molecular formula C17H16F5N7O3 and a molecular weight of 461.35 g/mol. Its IUPAC name is [3-amino-5-(1,1-difluoroethyl)pyrazin-2-yl] N-[6-[(4R)-2-amino-5,5-difluoro-4-methyl-6H-1,3-oxazin-4-yl]-5-fluoro-2-pyridinyl]carbamate.

Molecular Properties

Compound Name[3-amino-5-(1,1-difluoroethyl)pyrazin-2-yl] N-[6-[(4R)-2-amino-5,5-difluoro-4-methyl-6H-1,3-oxazin-4-yl]-5-fluoro-2-pyridinyl]carbamate
PubChem CID129158424
Molecular FormulaC17H16F5N7O3
Molecular Weight461.35 g/mol
Exact Mass461.12
IUPAC Name[3-amino-5-(1,1-difluoroethyl)pyrazin-2-yl] N-[6-[(4R)-2-amino-5,5-difluoro-4-methyl-6H-1,3-oxazin-4-yl]-5-fluoro-2-pyridinyl]carbamate
SMILESCC(F)(F)c1cnc(OC(=O)Nc2ccc(F)c([C@@]3(C)N=C(N)OCC3(F)F)n2)c(N)n1
InChIInChI=1S/C17H16F5N7O3/c1-15(17(21,22)6-31-13(24)29-15)10-7(18)3-4-9(27-10)28-14(30)32-12-11(23)26-8(5-25-12)16(2,19)20/h3-5H,6H2,1-2H3,(H2,23,26)(H2,24,29)(H,27,28,30)/t15-/m1/s1
InChIKeyIACCLTVSJCJPGB-OAHLLOKOSA-N
XLogP2.51
TPSA150.63 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500461.35
LogP ≤ 52.51
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

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

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Frequently Asked Questions

What is the IUPAC name of [3-amino-5-(1,1-difluoroethyl)pyrazin-2-yl] N-[6-[(4R)-2-amino-5,5-difluoro-4-methyl-6H-1,3-oxazin-4-yl]-5-fluoro-2-pyridinyl]carbamate?
The IUPAC name of [3-amino-5-(1,1-difluoroethyl)pyrazin-2-yl] N-[6-[(4R)-2-amino-5,5-difluoro-4-methyl-6H-1,3-oxazin-4-yl]-5-fluoro-2-pyridinyl]carbamate (CID 129158424) is [3-amino-5-(1,1-difluoroethyl)pyrazin-2-yl] N-[6-[(4R)-2-amino-5,5-difluoro-4-methyl-6H-1,3-oxazin-4-yl]-5-fluoro-2-pyridinyl]carbamate.
What is the SMILES notation for [3-amino-5-(1,1-difluoroethyl)pyrazin-2-yl] N-[6-[(4R)-2-amino-5,5-difluoro-4-methyl-6H-1,3-oxazin-4-yl]-5-fluoro-2-pyridinyl]carbamate?
The canonical SMILES for [3-amino-5-(1,1-difluoroethyl)pyrazin-2-yl] N-[6-[(4R)-2-amino-5,5-difluoro-4-methyl-6H-1,3-oxazin-4-yl]-5-fluoro-2-pyridinyl]carbamate is CC(F)(F)c1cnc(OC(=O)Nc2ccc(F)c([C@@]3(C)N=C(N)OCC3(F)F)n2)c(N)n1.
What is the InChIKey of [3-amino-5-(1,1-difluoroethyl)pyrazin-2-yl] N-[6-[(4R)-2-amino-5,5-difluoro-4-methyl-6H-1,3-oxazin-4-yl]-5-fluoro-2-pyridinyl]carbamate?
The InChIKey is IACCLTVSJCJPGB-OAHLLOKOSA-N. The full InChI is InChI=1S/C17H16F5N7O3/c1-15(17(21,22)6-31-13(24)29-15)10-7(18)3-4-9(27-10)28-14(30)32-12-11(23)26-8(5-25-12)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-5-(1,1-difluoroethyl)pyrazin-2-yl] N-[6-[(4R)-2-amino-5,5-difluoro-4-methyl-6H-1,3-oxazin-4-yl]-5-fluoro-2-pyridinyl]carbamate?
[3-amino-5-(1,1-difluoroethyl)pyrazin-2-yl] N-[6-[(4R)-2-amino-5,5-difluoro-4-methyl-6H-1,3-oxazin-4-yl]-5-fluoro-2-pyridinyl]carbamate has a molecular weight of 461.35 g/mol, XLogP of 2.51, 4 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for [3-amino-5-(1,1-difluoroethyl)pyrazin-2-yl] N-[6-[(4R)-2-amino-5,5-difluoro-4-methyl-6H-1,3-oxazin-4-yl]-5-fluoro-2-pyridinyl]carbamate is sourced from PubChem (CID 129158424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).