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

C16H22N4O2 — CID 98777093

IUPAC[(7R,8aS)-7-(cyclopropylmethoxy)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-pyrazin-2-ylmethanone
SMILESO=C(c1cnccn1)N1CCN2C[C@H](OCC3CC3)C[C@H]2C1
InChIInChI=1S/C16H22N4O2/c21-16(15-8-17-3-4-18-15)20-6-5-19-10-14(7-13(19)9-20)22-11-12-1-2-12/h3-4,8,12-14H,1-2,5-7,9-11H2/t13-,14+/m0/s1
InChIKeyPTUDCEPGTGNUDN-UONOGXRCSA-N
MW302.38 g/mol
LogP0.80
Rot. Bonds4

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

[(7R,8aS)-7-(cyclopropylmethoxy)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-pyrazin-2-ylmethanone (PubChem CID 98777093) has the molecular formula C16H22N4O2 and a molecular weight of 302.38 g/mol. Its IUPAC name is [(7R,8aS)-7-(cyclopropylmethoxy)-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-(cyclopropylmethoxy)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-pyrazin-2-ylmethanone
PubChem CID98777093
Molecular FormulaC16H22N4O2
Molecular Weight302.38 g/mol
Exact Mass302.17
IUPAC Name[(7R,8aS)-7-(cyclopropylmethoxy)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-pyrazin-2-ylmethanone
SMILESO=C(c1cnccn1)N1CCN2C[C@H](OCC3CC3)C[C@H]2C1
InChIInChI=1S/C16H22N4O2/c21-16(15-8-17-3-4-18-15)20-6-5-19-10-14(7-13(19)9-20)22-11-12-1-2-12/h3-4,8,12-14H,1-2,5-7,9-11H2/t13-,14+/m0/s1
InChIKeyPTUDCEPGTGNUDN-UONOGXRCSA-N
XLogP0.80
TPSA58.56 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.38
LogP ≤ 50.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze [(7R,8aS)-7-(cyclopropylmethoxy)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-pyrazin-2-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-(cyclopropylmethoxy)-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-(cyclopropylmethoxy)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-pyrazin-2-ylmethanone (CID 98777093) is [(7R,8aS)-7-(cyclopropylmethoxy)-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-(cyclopropylmethoxy)-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-(cyclopropylmethoxy)-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](OCC3CC3)C[C@H]2C1.
What is the InChIKey of [(7R,8aS)-7-(cyclopropylmethoxy)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-pyrazin-2-ylmethanone?
The InChIKey is PTUDCEPGTGNUDN-UONOGXRCSA-N. The full InChI is InChI=1S/C16H22N4O2/c21-16(15-8-17-3-4-18-15)20-6-5-19-10-14(7-13(19)9-20)22-11-12-1-2-12/h3-4,8,12-14H,1-2,5-7,9-11H2/t13-,14+/m0/s1.
What are the key properties of [(7R,8aS)-7-(cyclopropylmethoxy)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-pyrazin-2-ylmethanone?
[(7R,8aS)-7-(cyclopropylmethoxy)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-pyrazin-2-ylmethanone has a molecular weight of 302.38 g/mol, XLogP of 0.80, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(7R,8aS)-7-(cyclopropylmethoxy)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-pyrazin-2-ylmethanone is sourced from PubChem (CID 98777093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).