3-[(2S,3R,4R,5R)-5-ethyl-4-methyl-3-phenylmethoxyoxolan-2-yl]imidazo[1,2-a]pyrazin-8-amine

C20H24N4O2 — CID 158971550

IUPAC3-[(2S,3R,4R,5R)-5-ethyl-4-methyl-3-phenylmethoxyoxolan-2-yl]imidazo[1,2-a]pyrazin-8-amine
SMILESCC[C@H]1O[C@@H](c2cnc3c(N)nccn23)[C@H](OCc2ccccc2)[C@@H]1C
InChIInChI=1S/C20H24N4O2/c1-3-16-13(2)17(25-12-14-7-5-4-6-8-14)18(26-16)15-11-23-20-19(21)22-9-10-24(15)20/h4-11,13,16-18H,3,12H2,1-2H3,(H2,21,22)/t13-,16-,17-,18+/m1/s1
InChIKeyDITSQILSBNYPIL-PILAGYSTSA-N
MW352.44 g/mol
LogP3.38
Rot. Bonds5

About 3-[(2S,3R,4R,5R)-5-ethyl-4-methyl-3-phenylmethoxyoxolan-2-yl]imidazo[1,2-a]pyrazin-8-amine

3-[(2S,3R,4R,5R)-5-ethyl-4-methyl-3-phenylmethoxyoxolan-2-yl]imidazo[1,2-a]pyrazin-8-amine (PubChem CID 158971550) has the molecular formula C20H24N4O2 and a molecular weight of 352.44 g/mol. Its IUPAC name is 3-[(2S,3R,4R,5R)-5-ethyl-4-methyl-3-phenylmethoxyoxolan-2-yl]imidazo[1,2-a]pyrazin-8-amine.

Molecular Properties

Compound Name3-[(2S,3R,4R,5R)-5-ethyl-4-methyl-3-phenylmethoxyoxolan-2-yl]imidazo[1,2-a]pyrazin-8-amine
PubChem CID158971550
Molecular FormulaC20H24N4O2
Molecular Weight352.44 g/mol
Exact Mass352.19
IUPAC Name3-[(2S,3R,4R,5R)-5-ethyl-4-methyl-3-phenylmethoxyoxolan-2-yl]imidazo[1,2-a]pyrazin-8-amine
SMILESCC[C@H]1O[C@@H](c2cnc3c(N)nccn23)[C@H](OCc2ccccc2)[C@@H]1C
InChIInChI=1S/C20H24N4O2/c1-3-16-13(2)17(25-12-14-7-5-4-6-8-14)18(26-16)15-11-23-20-19(21)22-9-10-24(15)20/h4-11,13,16-18H,3,12H2,1-2H3,(H2,21,22)/t13-,16-,17-,18+/m1/s1
InChIKeyDITSQILSBNYPIL-PILAGYSTSA-N
XLogP3.38
TPSA74.67 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.44
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-[(2S,3R,4R,5R)-5-ethyl-4-methyl-3-phenylmethoxyoxolan-2-yl]imidazo[1,2-a]pyrazin-8-amine?
The IUPAC name of 3-[(2S,3R,4R,5R)-5-ethyl-4-methyl-3-phenylmethoxyoxolan-2-yl]imidazo[1,2-a]pyrazin-8-amine (CID 158971550) is 3-[(2S,3R,4R,5R)-5-ethyl-4-methyl-3-phenylmethoxyoxolan-2-yl]imidazo[1,2-a]pyrazin-8-amine.
What is the SMILES notation for 3-[(2S,3R,4R,5R)-5-ethyl-4-methyl-3-phenylmethoxyoxolan-2-yl]imidazo[1,2-a]pyrazin-8-amine?
The canonical SMILES for 3-[(2S,3R,4R,5R)-5-ethyl-4-methyl-3-phenylmethoxyoxolan-2-yl]imidazo[1,2-a]pyrazin-8-amine is CC[C@H]1O[C@@H](c2cnc3c(N)nccn23)[C@H](OCc2ccccc2)[C@@H]1C.
What is the InChIKey of 3-[(2S,3R,4R,5R)-5-ethyl-4-methyl-3-phenylmethoxyoxolan-2-yl]imidazo[1,2-a]pyrazin-8-amine?
The InChIKey is DITSQILSBNYPIL-PILAGYSTSA-N. The full InChI is InChI=1S/C20H24N4O2/c1-3-16-13(2)17(25-12-14-7-5-4-6-8-14)18(26-16)15-11-23-20-19(21)22-9-10-24(15)20/h4-11,13,16-18H,3,12H2,1-2H3,(H2,21,22)/t13-,16-,17-,18+/m1/s1.
What are the key properties of 3-[(2S,3R,4R,5R)-5-ethyl-4-methyl-3-phenylmethoxyoxolan-2-yl]imidazo[1,2-a]pyrazin-8-amine?
3-[(2S,3R,4R,5R)-5-ethyl-4-methyl-3-phenylmethoxyoxolan-2-yl]imidazo[1,2-a]pyrazin-8-amine has a molecular weight of 352.44 g/mol, XLogP of 3.38, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2S,3R,4R,5R)-5-ethyl-4-methyl-3-phenylmethoxyoxolan-2-yl]imidazo[1,2-a]pyrazin-8-amine is sourced from PubChem (CID 158971550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).