(6aS)-6a-ethyl-2-[2-(5-fluoro-2-pyridinyl)imidazol-1-yl]-5-methyl-9,10-dihydro-7H-[1,4]oxazino[3,4-h]pteridin-6-one

C20H20FN7O2 — CID 53261785

IUPAC(6aS)-6a-ethyl-2-[2-(5-fluoro-2-pyridinyl)imidazol-1-yl]-5-methyl-9,10-dihydro-7H-[1,4]oxazino[3,4-h]pteridin-6-one
SMILESCC[C@@]12COCCN1c1nc(-n3ccnc3-c3ccc(F)cn3)ncc1N(C)C2=O
InChIInChI=1S/C20H20FN7O2/c1-3-20-12-30-9-8-28(20)17-15(26(2)18(20)29)11-24-19(25-17)27-7-6-22-16(27)14-5-4-13(21)10-23-14/h4-7,10-11H,3,8-9,12H2,1-2H3/t20-/m0/s1
InChIKeyMCJFWCCYCOIKSM-FQEVSTJZSA-N
MW409.43 g/mol
LogP1.83
Rot. Bonds3

About (6aS)-6a-ethyl-2-[2-(5-fluoro-2-pyridinyl)imidazol-1-yl]-5-methyl-9,10-dihydro-7H-[1,4]oxazino[3,4-h]pteridin-6-one

(6aS)-6a-ethyl-2-[2-(5-fluoro-2-pyridinyl)imidazol-1-yl]-5-methyl-9,10-dihydro-7H-[1,4]oxazino[3,4-h]pteridin-6-one (PubChem CID 53261785) has the molecular formula C20H20FN7O2 and a molecular weight of 409.43 g/mol. Its IUPAC name is (6aS)-6a-ethyl-2-[2-(5-fluoro-2-pyridinyl)imidazol-1-yl]-5-methyl-9,10-dihydro-7H-[1,4]oxazino[3,4-h]pteridin-6-one.

Molecular Properties

Compound Name(6aS)-6a-ethyl-2-[2-(5-fluoro-2-pyridinyl)imidazol-1-yl]-5-methyl-9,10-dihydro-7H-[1,4]oxazino[3,4-h]pteridin-6-one
PubChem CID53261785
Molecular FormulaC20H20FN7O2
Molecular Weight409.43 g/mol
Exact Mass409.17
IUPAC Name(6aS)-6a-ethyl-2-[2-(5-fluoro-2-pyridinyl)imidazol-1-yl]-5-methyl-9,10-dihydro-7H-[1,4]oxazino[3,4-h]pteridin-6-one
SMILESCC[C@@]12COCCN1c1nc(-n3ccnc3-c3ccc(F)cn3)ncc1N(C)C2=O
InChIInChI=1S/C20H20FN7O2/c1-3-20-12-30-9-8-28(20)17-15(26(2)18(20)29)11-24-19(25-17)27-7-6-22-16(27)14-5-4-13(21)10-23-14/h4-7,10-11H,3,8-9,12H2,1-2H3/t20-/m0/s1
InChIKeyMCJFWCCYCOIKSM-FQEVSTJZSA-N
XLogP1.83
TPSA89.27 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.43
LogP ≤ 51.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze (6aS)-6a-ethyl-2-[2-(5-fluoro-2-pyridinyl)imidazol-1-yl]-5-methyl-9,10-dihydro-7H-[1,4]oxazino[3,4-h]pteridin-6-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of (6aS)-6a-ethyl-2-[2-(5-fluoro-2-pyridinyl)imidazol-1-yl]-5-methyl-9,10-dihydro-7H-[1,4]oxazino[3,4-h]pteridin-6-one?
The IUPAC name of (6aS)-6a-ethyl-2-[2-(5-fluoro-2-pyridinyl)imidazol-1-yl]-5-methyl-9,10-dihydro-7H-[1,4]oxazino[3,4-h]pteridin-6-one (CID 53261785) is (6aS)-6a-ethyl-2-[2-(5-fluoro-2-pyridinyl)imidazol-1-yl]-5-methyl-9,10-dihydro-7H-[1,4]oxazino[3,4-h]pteridin-6-one.
What is the SMILES notation for (6aS)-6a-ethyl-2-[2-(5-fluoro-2-pyridinyl)imidazol-1-yl]-5-methyl-9,10-dihydro-7H-[1,4]oxazino[3,4-h]pteridin-6-one?
The canonical SMILES for (6aS)-6a-ethyl-2-[2-(5-fluoro-2-pyridinyl)imidazol-1-yl]-5-methyl-9,10-dihydro-7H-[1,4]oxazino[3,4-h]pteridin-6-one is CC[C@@]12COCCN1c1nc(-n3ccnc3-c3ccc(F)cn3)ncc1N(C)C2=O.
What is the InChIKey of (6aS)-6a-ethyl-2-[2-(5-fluoro-2-pyridinyl)imidazol-1-yl]-5-methyl-9,10-dihydro-7H-[1,4]oxazino[3,4-h]pteridin-6-one?
The InChIKey is MCJFWCCYCOIKSM-FQEVSTJZSA-N. The full InChI is InChI=1S/C20H20FN7O2/c1-3-20-12-30-9-8-28(20)17-15(26(2)18(20)29)11-24-19(25-17)27-7-6-22-16(27)14-5-4-13(21)10-23-14/h4-7,10-11H,3,8-9,12H2,1-2H3/t20-/m0/s1.
What are the key properties of (6aS)-6a-ethyl-2-[2-(5-fluoro-2-pyridinyl)imidazol-1-yl]-5-methyl-9,10-dihydro-7H-[1,4]oxazino[3,4-h]pteridin-6-one?
(6aS)-6a-ethyl-2-[2-(5-fluoro-2-pyridinyl)imidazol-1-yl]-5-methyl-9,10-dihydro-7H-[1,4]oxazino[3,4-h]pteridin-6-one has a molecular weight of 409.43 g/mol, XLogP of 1.83, 3 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (6aS)-6a-ethyl-2-[2-(5-fluoro-2-pyridinyl)imidazol-1-yl]-5-methyl-9,10-dihydro-7H-[1,4]oxazino[3,4-h]pteridin-6-one is sourced from PubChem (CID 53261785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).