[(3aR,7aS)-7a-amino-1,3,3a,4,6,7-hexahydropyrano[3,4-c]pyrrol-2-yl]-imidazo[1,2-a]pyrazin-8-ylmethanone

C14H17N5O2 — CID 167779490

IUPAC[(3aR,7aS)-7a-amino-1,3,3a,4,6,7-hexahydropyrano[3,4-c]pyrrol-2-yl]-imidazo[1,2-a]pyrazin-8-ylmethanone
SMILESN[C@@]12CCOC[C@@H]1CN(C(=O)c1nccn3ccnc13)C2
InChIInChI=1S/C14H17N5O2/c15-14-1-6-21-8-10(14)7-19(9-14)13(20)11-12-17-3-5-18(12)4-2-16-11/h2-5,10H,1,6-9,15H2/t10-,14+/m0/s1
InChIKeyJJIRUTJSEYCXAF-IINYFYTJSA-N
MW287.32 g/mol
LogP-0.08
Rot. Bonds1

About [(3aR,7aS)-7a-amino-1,3,3a,4,6,7-hexahydropyrano[3,4-c]pyrrol-2-yl]-imidazo[1,2-a]pyrazin-8-ylmethanone

[(3aR,7aS)-7a-amino-1,3,3a,4,6,7-hexahydropyrano[3,4-c]pyrrol-2-yl]-imidazo[1,2-a]pyrazin-8-ylmethanone (PubChem CID 167779490) has the molecular formula C14H17N5O2 and a molecular weight of 287.32 g/mol. Its IUPAC name is [(3aR,7aS)-7a-amino-1,3,3a,4,6,7-hexahydropyrano[3,4-c]pyrrol-2-yl]-imidazo[1,2-a]pyrazin-8-ylmethanone.

Molecular Properties

Compound Name[(3aR,7aS)-7a-amino-1,3,3a,4,6,7-hexahydropyrano[3,4-c]pyrrol-2-yl]-imidazo[1,2-a]pyrazin-8-ylmethanone
PubChem CID167779490
Molecular FormulaC14H17N5O2
Molecular Weight287.32 g/mol
Exact Mass287.14
IUPAC Name[(3aR,7aS)-7a-amino-1,3,3a,4,6,7-hexahydropyrano[3,4-c]pyrrol-2-yl]-imidazo[1,2-a]pyrazin-8-ylmethanone
SMILESN[C@@]12CCOC[C@@H]1CN(C(=O)c1nccn3ccnc13)C2
InChIInChI=1S/C14H17N5O2/c15-14-1-6-21-8-10(14)7-19(9-14)13(20)11-12-17-3-5-18(12)4-2-16-11/h2-5,10H,1,6-9,15H2/t10-,14+/m0/s1
InChIKeyJJIRUTJSEYCXAF-IINYFYTJSA-N
XLogP-0.08
TPSA85.75 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.32
LogP ≤ 5-0.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze [(3aR,7aS)-7a-amino-1,3,3a,4,6,7-hexahydropyrano[3,4-c]pyrrol-2-yl]-imidazo[1,2-a]pyrazin-8-ylmethanone with MolForge

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Frequently Asked Questions

What is the IUPAC name of [(3aR,7aS)-7a-amino-1,3,3a,4,6,7-hexahydropyrano[3,4-c]pyrrol-2-yl]-imidazo[1,2-a]pyrazin-8-ylmethanone?
The IUPAC name of [(3aR,7aS)-7a-amino-1,3,3a,4,6,7-hexahydropyrano[3,4-c]pyrrol-2-yl]-imidazo[1,2-a]pyrazin-8-ylmethanone (CID 167779490) is [(3aR,7aS)-7a-amino-1,3,3a,4,6,7-hexahydropyrano[3,4-c]pyrrol-2-yl]-imidazo[1,2-a]pyrazin-8-ylmethanone.
What is the SMILES notation for [(3aR,7aS)-7a-amino-1,3,3a,4,6,7-hexahydropyrano[3,4-c]pyrrol-2-yl]-imidazo[1,2-a]pyrazin-8-ylmethanone?
The canonical SMILES for [(3aR,7aS)-7a-amino-1,3,3a,4,6,7-hexahydropyrano[3,4-c]pyrrol-2-yl]-imidazo[1,2-a]pyrazin-8-ylmethanone is N[C@@]12CCOC[C@@H]1CN(C(=O)c1nccn3ccnc13)C2.
What is the InChIKey of [(3aR,7aS)-7a-amino-1,3,3a,4,6,7-hexahydropyrano[3,4-c]pyrrol-2-yl]-imidazo[1,2-a]pyrazin-8-ylmethanone?
The InChIKey is JJIRUTJSEYCXAF-IINYFYTJSA-N. The full InChI is InChI=1S/C14H17N5O2/c15-14-1-6-21-8-10(14)7-19(9-14)13(20)11-12-17-3-5-18(12)4-2-16-11/h2-5,10H,1,6-9,15H2/t10-,14+/m0/s1.
What are the key properties of [(3aR,7aS)-7a-amino-1,3,3a,4,6,7-hexahydropyrano[3,4-c]pyrrol-2-yl]-imidazo[1,2-a]pyrazin-8-ylmethanone?
[(3aR,7aS)-7a-amino-1,3,3a,4,6,7-hexahydropyrano[3,4-c]pyrrol-2-yl]-imidazo[1,2-a]pyrazin-8-ylmethanone has a molecular weight of 287.32 g/mol, XLogP of -0.08, 1 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(3aR,7aS)-7a-amino-1,3,3a,4,6,7-hexahydropyrano[3,4-c]pyrrol-2-yl]-imidazo[1,2-a]pyrazin-8-ylmethanone is sourced from PubChem (CID 167779490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).