[(7R,8aS)-7-pyridin-3-yloxy-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-pyrazin-2-ylmethanone

C17H19N5O2 — CID 97362564

IUPAC[(7R,8aS)-7-pyridin-3-yloxy-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-pyrazin-2-ylmethanone
SMILESO=C(c1cnccn1)N1CCN2C[C@H](Oc3cccnc3)C[C@H]2C1
InChIInChI=1S/C17H19N5O2/c23-17(16-10-19-4-5-20-16)22-7-6-21-12-15(8-13(21)11-22)24-14-2-1-3-18-9-14/h1-5,9-10,13,15H,6-8,11-12H2/t13-,15+/m0/s1
InChIKeyIHMYTYNRKUWHTB-DZGCQCFKSA-N
MW325.37 g/mol
LogP0.85
Rot. Bonds3

About [(7R,8aS)-7-pyridin-3-yloxy-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-pyrazin-2-ylmethanone

[(7R,8aS)-7-pyridin-3-yloxy-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-pyrazin-2-ylmethanone (PubChem CID 97362564) has the molecular formula C17H19N5O2 and a molecular weight of 325.37 g/mol. Its IUPAC name is [(7R,8aS)-7-pyridin-3-yloxy-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-pyrazin-2-ylmethanone.

Molecular Properties

Compound Name[(7R,8aS)-7-pyridin-3-yloxy-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-pyrazin-2-ylmethanone
PubChem CID97362564
Molecular FormulaC17H19N5O2
Molecular Weight325.37 g/mol
Exact Mass325.15
IUPAC Name[(7R,8aS)-7-pyridin-3-yloxy-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-pyrazin-2-ylmethanone
SMILESO=C(c1cnccn1)N1CCN2C[C@H](Oc3cccnc3)C[C@H]2C1
InChIInChI=1S/C17H19N5O2/c23-17(16-10-19-4-5-20-16)22-7-6-21-12-15(8-13(21)11-22)24-14-2-1-3-18-9-14/h1-5,9-10,13,15H,6-8,11-12H2/t13-,15+/m0/s1
InChIKeyIHMYTYNRKUWHTB-DZGCQCFKSA-N
XLogP0.85
TPSA71.45 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.37
LogP ≤ 50.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze [(7R,8aS)-7-pyridin-3-yloxy-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-pyrazin-2-ylmethanone with MolForge

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Frequently Asked Questions

What is the IUPAC name of [(7R,8aS)-7-pyridin-3-yloxy-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-pyrazin-2-ylmethanone?
The IUPAC name of [(7R,8aS)-7-pyridin-3-yloxy-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-pyrazin-2-ylmethanone (CID 97362564) is [(7R,8aS)-7-pyridin-3-yloxy-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-pyrazin-2-ylmethanone.
What is the SMILES notation for [(7R,8aS)-7-pyridin-3-yloxy-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-pyrazin-2-ylmethanone?
The canonical SMILES for [(7R,8aS)-7-pyridin-3-yloxy-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-pyrazin-2-ylmethanone is O=C(c1cnccn1)N1CCN2C[C@H](Oc3cccnc3)C[C@H]2C1.
What is the InChIKey of [(7R,8aS)-7-pyridin-3-yloxy-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-pyrazin-2-ylmethanone?
The InChIKey is IHMYTYNRKUWHTB-DZGCQCFKSA-N. The full InChI is InChI=1S/C17H19N5O2/c23-17(16-10-19-4-5-20-16)22-7-6-21-12-15(8-13(21)11-22)24-14-2-1-3-18-9-14/h1-5,9-10,13,15H,6-8,11-12H2/t13-,15+/m0/s1.
What are the key properties of [(7R,8aS)-7-pyridin-3-yloxy-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-pyrazin-2-ylmethanone?
[(7R,8aS)-7-pyridin-3-yloxy-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-pyrazin-2-ylmethanone has a molecular weight of 325.37 g/mol, XLogP of 0.85, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(7R,8aS)-7-pyridin-3-yloxy-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-pyrazin-2-ylmethanone is sourced from PubChem (CID 97362564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).