[5-[[6-amino-2-ethoxy-8-(3-fluoro-1,2-dihydropyridin-5-yl)purin-9-yl]methyl]-1,2-oxazol-3-yl]methanol

C17H18FN7O3 — CID 137246158

IUPAC[5-[[6-amino-2-ethoxy-8-(3-fluoro-1,2-dihydropyridin-5-yl)purin-9-yl]methyl]-1,2-oxazol-3-yl]methanol
SMILESCCOc1nc(N)c2nc(C3=CNCC(F)=C3)n(Cc3cc(CO)no3)c2n1
InChIInChI=1S/C17H18FN7O3/c1-2-27-17-22-14(19)13-16(23-17)25(7-12-4-11(8-26)24-28-12)15(21-13)9-3-10(18)6-20-5-9/h3-5,20,26H,2,6-8H2,1H3,(H2,19,22,23)
InChIKeyYXGVKCHGRFXAJL-UHFFFAOYSA-N
MW387.38 g/mol
LogP1.13
Rot. Bonds6

About [5-[[6-amino-2-ethoxy-8-(3-fluoro-1,2-dihydropyridin-5-yl)purin-9-yl]methyl]-1,2-oxazol-3-yl]methanol

[5-[[6-amino-2-ethoxy-8-(3-fluoro-1,2-dihydropyridin-5-yl)purin-9-yl]methyl]-1,2-oxazol-3-yl]methanol (PubChem CID 137246158) has the molecular formula C17H18FN7O3 and a molecular weight of 387.38 g/mol. Its IUPAC name is [5-[[6-amino-2-ethoxy-8-(3-fluoro-1,2-dihydropyridin-5-yl)purin-9-yl]methyl]-1,2-oxazol-3-yl]methanol.

Molecular Properties

Compound Name[5-[[6-amino-2-ethoxy-8-(3-fluoro-1,2-dihydropyridin-5-yl)purin-9-yl]methyl]-1,2-oxazol-3-yl]methanol
PubChem CID137246158
Molecular FormulaC17H18FN7O3
Molecular Weight387.38 g/mol
Exact Mass387.15
IUPAC Name[5-[[6-amino-2-ethoxy-8-(3-fluoro-1,2-dihydropyridin-5-yl)purin-9-yl]methyl]-1,2-oxazol-3-yl]methanol
SMILESCCOc1nc(N)c2nc(C3=CNCC(F)=C3)n(Cc3cc(CO)no3)c2n1
InChIInChI=1S/C17H18FN7O3/c1-2-27-17-22-14(19)13-16(23-17)25(7-12-4-11(8-26)24-28-12)15(21-13)9-3-10(18)6-20-5-9/h3-5,20,26H,2,6-8H2,1H3,(H2,19,22,23)
InChIKeyYXGVKCHGRFXAJL-UHFFFAOYSA-N
XLogP1.13
TPSA137.14 Ų
H-Bond Donors3
H-Bond Acceptors10
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.38
LogP ≤ 51.13
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1010

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Frequently Asked Questions

What is the IUPAC name of [5-[[6-amino-2-ethoxy-8-(3-fluoro-1,2-dihydropyridin-5-yl)purin-9-yl]methyl]-1,2-oxazol-3-yl]methanol?
The IUPAC name of [5-[[6-amino-2-ethoxy-8-(3-fluoro-1,2-dihydropyridin-5-yl)purin-9-yl]methyl]-1,2-oxazol-3-yl]methanol (CID 137246158) is [5-[[6-amino-2-ethoxy-8-(3-fluoro-1,2-dihydropyridin-5-yl)purin-9-yl]methyl]-1,2-oxazol-3-yl]methanol.
What is the SMILES notation for [5-[[6-amino-2-ethoxy-8-(3-fluoro-1,2-dihydropyridin-5-yl)purin-9-yl]methyl]-1,2-oxazol-3-yl]methanol?
The canonical SMILES for [5-[[6-amino-2-ethoxy-8-(3-fluoro-1,2-dihydropyridin-5-yl)purin-9-yl]methyl]-1,2-oxazol-3-yl]methanol is CCOc1nc(N)c2nc(C3=CNCC(F)=C3)n(Cc3cc(CO)no3)c2n1.
What is the InChIKey of [5-[[6-amino-2-ethoxy-8-(3-fluoro-1,2-dihydropyridin-5-yl)purin-9-yl]methyl]-1,2-oxazol-3-yl]methanol?
The InChIKey is YXGVKCHGRFXAJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18FN7O3/c1-2-27-17-22-14(19)13-16(23-17)25(7-12-4-11(8-26)24-28-12)15(21-13)9-3-10(18)6-20-5-9/h3-5,20,26H,2,6-8H2,1H3,(H2,19,22,23).
What are the key properties of [5-[[6-amino-2-ethoxy-8-(3-fluoro-1,2-dihydropyridin-5-yl)purin-9-yl]methyl]-1,2-oxazol-3-yl]methanol?
[5-[[6-amino-2-ethoxy-8-(3-fluoro-1,2-dihydropyridin-5-yl)purin-9-yl]methyl]-1,2-oxazol-3-yl]methanol has a molecular weight of 387.38 g/mol, XLogP of 1.13, 6 rotatable bonds, 3 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for [5-[[6-amino-2-ethoxy-8-(3-fluoro-1,2-dihydropyridin-5-yl)purin-9-yl]methyl]-1,2-oxazol-3-yl]methanol is sourced from PubChem (CID 137246158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).