2-[(7R)-5-[(3-methylthiophen-2-yl)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-7-yl]-1-(oxazinan-2-yl)ethanone

C18H24N4O2S — CID 124912486

About 2-[(7R)-5-[(3-methylthiophen-2-yl)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-7-yl]-1-(oxazinan-2-yl)ethanone

2-[(7R)-5-[(3-methylthiophen-2-yl)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-7-yl]-1-(oxazinan-2-yl)ethanone (PubChem CID 124912486) has the molecular formula C18H24N4O2S and a molecular weight of 360.48 g/mol. Its IUPAC name is 2-[(7R)-5-[(3-methylthiophen-2-yl)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-7-yl]-1-(oxazinan-2-yl)ethanone.

Molecular Properties

• Compound Name: 2-[(7R)-5-[(3-methylthiophen-2-yl)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-7-yl]-1-(oxazinan-2-yl)ethanone
• PubChem CID: 124912486
• Molecular Formula: C18H24N4O2S
• Molecular Weight: 360.48 g/mol
• Exact Mass: 360.16
• IUPAC Name: 2-[(7R)-5-[(3-methylthiophen-2-yl)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-7-yl]-1-(oxazinan-2-yl)ethanone
• SMILES: Cc1ccsc1CN1Cc2ccnn2[C@H](CC(=O)N2CCCCO2)C1
• InChI: InChI=1S/C18H24N4O2S/c1-14-5-9-25-17(14)13-20-11-15-4-6-19-22(15)16(12-20)10-18(23)21-7-2-3-8-24-21/h4-6,9,16H,2-3,7-8,10-13H2,1H3/t16-/m1/s1
• InChIKey: LBMJOFFXTNILQC-MRXNPFEDSA-N
• XLogP: 2.75
• TPSA: 50.60 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 4
• Heavy Atoms: 25
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	360.48
LogP ≤ 5	2.75
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 2-[(7R)-5-[(3-methylthiophen-2-yl)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-7-yl]-1-(oxazinan-2-yl)ethanone?

The IUPAC name of 2-[(7R)-5-[(3-methylthiophen-2-yl)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-7-yl]-1-(oxazinan-2-yl)ethanone (CID 124912486) is 2-[(7R)-5-[(3-methylthiophen-2-yl)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-7-yl]-1-(oxazinan-2-yl)ethanone.

What is the SMILES notation for 2-[(7R)-5-[(3-methylthiophen-2-yl)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-7-yl]-1-(oxazinan-2-yl)ethanone?

The canonical SMILES for 2-[(7R)-5-[(3-methylthiophen-2-yl)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-7-yl]-1-(oxazinan-2-yl)ethanone is Cc1ccsc1CN1Cc2ccnn2[C@H](CC(=O)N2CCCCO2)C1.

What is the InChIKey of 2-[(7R)-5-[(3-methylthiophen-2-yl)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-7-yl]-1-(oxazinan-2-yl)ethanone?

The InChIKey is LBMJOFFXTNILQC-MRXNPFEDSA-N. The full InChI is InChI=1S/C18H24N4O2S/c1-14-5-9-25-17(14)13-20-11-15-4-6-19-22(15)16(12-20)10-18(23)21-7-2-3-8-24-21/h4-6,9,16H,2-3,7-8,10-13H2,1H3/t16-/m1/s1.

What are the key properties of 2-[(7R)-5-[(3-methylthiophen-2-yl)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-7-yl]-1-(oxazinan-2-yl)ethanone?

2-[(7R)-5-[(3-methylthiophen-2-yl)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-7-yl]-1-(oxazinan-2-yl)ethanone has a molecular weight of 360.48 g/mol, XLogP of 2.75, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[(7R)-5-[(3-methylthiophen-2-yl)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-7-yl]-1-(oxazinan-2-yl)ethanone is sourced from PubChem (CID 124912486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).