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

C17H16F5N7O3 — CID 71529265

IUPAC3-amino-N-[6-[(4R)-2-amino-5,5-difluoro-4-methyl-6H-1,3-oxazin-4-yl]-5-fluoro-2-pyridinyl]-5-(2,2-difluoroethoxy)pyrazine-2-carboxamide
SMILESC[C@]1(c2nc(NC(=O)c3ncc(OCC(F)F)nc3N)ccc2F)N=C(N)OCC1(F)F
InChIInChI=1S/C17H16F5N7O3/c1-16(17(21,22)6-32-15(24)29-16)12-7(18)2-3-9(26-12)27-14(30)11-13(23)28-10(4-25-11)31-5-8(19)20/h2-4,8H,5-6H2,1H3,(H2,23,28)(H2,24,29)(H,26,27,30)/t16-/m1/s1
InChIKeyFKUWIXCLOXGDMB-MRXNPFEDSA-N
MW461.35 g/mol
LogP1.68
Rot. Bonds6

About 3-amino-N-[6-[(4R)-2-amino-5,5-difluoro-4-methyl-6H-1,3-oxazin-4-yl]-5-fluoro-2-pyridinyl]-5-(2,2-difluoroethoxy)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-(2,2-difluoroethoxy)pyrazine-2-carboxamide (PubChem CID 71529265) has the molecular formula C17H16F5N7O3 and a molecular weight of 461.35 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-(2,2-difluoroethoxy)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-(2,2-difluoroethoxy)pyrazine-2-carboxamide
PubChem CID71529265
Molecular FormulaC17H16F5N7O3
Molecular Weight461.35 g/mol
Exact Mass461.12
IUPAC Name3-amino-N-[6-[(4R)-2-amino-5,5-difluoro-4-methyl-6H-1,3-oxazin-4-yl]-5-fluoro-2-pyridinyl]-5-(2,2-difluoroethoxy)pyrazine-2-carboxamide
SMILESC[C@]1(c2nc(NC(=O)c3ncc(OCC(F)F)nc3N)ccc2F)N=C(N)OCC1(F)F
InChIInChI=1S/C17H16F5N7O3/c1-16(17(21,22)6-32-15(24)29-16)12-7(18)2-3-9(26-12)27-14(30)11-13(23)28-10(4-25-11)31-5-8(19)20/h2-4,8H,5-6H2,1H3,(H2,23,28)(H2,24,29)(H,26,27,30)/t16-/m1/s1
InChIKeyFKUWIXCLOXGDMB-MRXNPFEDSA-N
XLogP1.68
TPSA150.63 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500461.35
LogP ≤ 51.68
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

Analyze 3-amino-N-[6-[(4R)-2-amino-5,5-difluoro-4-methyl-6H-1,3-oxazin-4-yl]-5-fluoro-2-pyridinyl]-5-(2,2-difluoroethoxy)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-(2,2-difluoroethoxy)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-(2,2-difluoroethoxy)pyrazine-2-carboxamide (CID 71529265) is 3-amino-N-[6-[(4R)-2-amino-5,5-difluoro-4-methyl-6H-1,3-oxazin-4-yl]-5-fluoro-2-pyridinyl]-5-(2,2-difluoroethoxy)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-(2,2-difluoroethoxy)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-(2,2-difluoroethoxy)pyrazine-2-carboxamide is C[C@]1(c2nc(NC(=O)c3ncc(OCC(F)F)nc3N)ccc2F)N=C(N)OCC1(F)F.
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-(2,2-difluoroethoxy)pyrazine-2-carboxamide?
The InChIKey is FKUWIXCLOXGDMB-MRXNPFEDSA-N. The full InChI is InChI=1S/C17H16F5N7O3/c1-16(17(21,22)6-32-15(24)29-16)12-7(18)2-3-9(26-12)27-14(30)11-13(23)28-10(4-25-11)31-5-8(19)20/h2-4,8H,5-6H2,1H3,(H2,23,28)(H2,24,29)(H,26,27,30)/t16-/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-(2,2-difluoroethoxy)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-(2,2-difluoroethoxy)pyrazine-2-carboxamide has a molecular weight of 461.35 g/mol, XLogP of 1.68, 6 rotatable bonds, 3 hydrogen bond donors, and 9 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-(2,2-difluoroethoxy)pyrazine-2-carboxamide is sourced from PubChem (CID 71529265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).