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

C18H20N4O2 — CID 97458376

IUPAC[(7R,8aS)-7-pyridin-3-yloxy-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-pyridin-4-ylmethanone
SMILESO=C(c1ccncc1)N1CCN2C[C@H](Oc3cccnc3)C[C@H]2C1
InChIInChI=1S/C18H20N4O2/c23-18(14-3-6-19-7-4-14)22-9-8-21-13-17(10-15(21)12-22)24-16-2-1-5-20-11-16/h1-7,11,15,17H,8-10,12-13H2/t15-,17+/m0/s1
InChIKeyIMANOSHQOFDOEG-DOTOQJQBSA-N
MW324.38 g/mol
LogP1.45
Rot. Bonds3

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

[(7R,8aS)-7-pyridin-3-yloxy-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-pyridin-4-ylmethanone (PubChem CID 97458376) has the molecular formula C18H20N4O2 and a molecular weight of 324.38 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]-pyridin-4-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]-pyridin-4-ylmethanone
PubChem CID97458376
Molecular FormulaC18H20N4O2
Molecular Weight324.38 g/mol
Exact Mass324.16
IUPAC Name[(7R,8aS)-7-pyridin-3-yloxy-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-pyridin-4-ylmethanone
SMILESO=C(c1ccncc1)N1CCN2C[C@H](Oc3cccnc3)C[C@H]2C1
InChIInChI=1S/C18H20N4O2/c23-18(14-3-6-19-7-4-14)22-9-8-21-13-17(10-15(21)12-22)24-16-2-1-5-20-11-16/h1-7,11,15,17H,8-10,12-13H2/t15-,17+/m0/s1
InChIKeyIMANOSHQOFDOEG-DOTOQJQBSA-N
XLogP1.45
TPSA58.56 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.38
LogP ≤ 51.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

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]-pyridin-4-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]-pyridin-4-ylmethanone (CID 97458376) is [(7R,8aS)-7-pyridin-3-yloxy-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-pyridin-4-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]-pyridin-4-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]-pyridin-4-ylmethanone is O=C(c1ccncc1)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]-pyridin-4-ylmethanone?
The InChIKey is IMANOSHQOFDOEG-DOTOQJQBSA-N. The full InChI is InChI=1S/C18H20N4O2/c23-18(14-3-6-19-7-4-14)22-9-8-21-13-17(10-15(21)12-22)24-16-2-1-5-20-11-16/h1-7,11,15,17H,8-10,12-13H2/t15-,17+/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]-pyridin-4-ylmethanone?
[(7R,8aS)-7-pyridin-3-yloxy-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-pyridin-4-ylmethanone has a molecular weight of 324.38 g/mol, XLogP of 1.45, 3 rotatable bonds, 0 hydrogen bond donors, and 5 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]-pyridin-4-ylmethanone is sourced from PubChem (CID 97458376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).