6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-2-yl-(6-methoxy-3,4-dihydro-1H-isoquinolin-2-yl)methanone

C17H19N3O3 — CID 90536711

IUPAC6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-2-yl-(6-methoxy-3,4-dihydro-1H-isoquinolin-2-yl)methanone
SMILESCOc1ccc2c(c1)CCN(C(=O)c1cc3n(n1)CCCO3)C2
InChIInChI=1S/C17H19N3O3/c1-22-14-4-3-13-11-19(7-5-12(13)9-14)17(21)15-10-16-20(18-15)6-2-8-23-16/h3-4,9-10H,2,5-8,11H2,1H3
InChIKeyGVPRELUJGVKALL-UHFFFAOYSA-N
MW313.36 g/mol
LogP1.87
Rot. Bonds2

About 6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-2-yl-(6-methoxy-3,4-dihydro-1H-isoquinolin-2-yl)methanone

6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-2-yl-(6-methoxy-3,4-dihydro-1H-isoquinolin-2-yl)methanone (PubChem CID 90536711) has the molecular formula C17H19N3O3 and a molecular weight of 313.36 g/mol. Its IUPAC name is 6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-2-yl-(6-methoxy-3,4-dihydro-1H-isoquinolin-2-yl)methanone.

Molecular Properties

Compound Name6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-2-yl-(6-methoxy-3,4-dihydro-1H-isoquinolin-2-yl)methanone
PubChem CID90536711
Molecular FormulaC17H19N3O3
Molecular Weight313.36 g/mol
Exact Mass313.14
IUPAC Name6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-2-yl-(6-methoxy-3,4-dihydro-1H-isoquinolin-2-yl)methanone
SMILESCOc1ccc2c(c1)CCN(C(=O)c1cc3n(n1)CCCO3)C2
InChIInChI=1S/C17H19N3O3/c1-22-14-4-3-13-11-19(7-5-12(13)9-14)17(21)15-10-16-20(18-15)6-2-8-23-16/h3-4,9-10H,2,5-8,11H2,1H3
InChIKeyGVPRELUJGVKALL-UHFFFAOYSA-N
XLogP1.87
TPSA56.59 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.36
LogP ≤ 51.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-2-yl-(6-methoxy-3,4-dihydro-1H-isoquinolin-2-yl)methanone?
The IUPAC name of 6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-2-yl-(6-methoxy-3,4-dihydro-1H-isoquinolin-2-yl)methanone (CID 90536711) is 6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-2-yl-(6-methoxy-3,4-dihydro-1H-isoquinolin-2-yl)methanone.
What is the SMILES notation for 6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-2-yl-(6-methoxy-3,4-dihydro-1H-isoquinolin-2-yl)methanone?
The canonical SMILES for 6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-2-yl-(6-methoxy-3,4-dihydro-1H-isoquinolin-2-yl)methanone is COc1ccc2c(c1)CCN(C(=O)c1cc3n(n1)CCCO3)C2.
What is the InChIKey of 6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-2-yl-(6-methoxy-3,4-dihydro-1H-isoquinolin-2-yl)methanone?
The InChIKey is GVPRELUJGVKALL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O3/c1-22-14-4-3-13-11-19(7-5-12(13)9-14)17(21)15-10-16-20(18-15)6-2-8-23-16/h3-4,9-10H,2,5-8,11H2,1H3.
What are the key properties of 6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-2-yl-(6-methoxy-3,4-dihydro-1H-isoquinolin-2-yl)methanone?
6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-2-yl-(6-methoxy-3,4-dihydro-1H-isoquinolin-2-yl)methanone has a molecular weight of 313.36 g/mol, XLogP of 1.87, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-2-yl-(6-methoxy-3,4-dihydro-1H-isoquinolin-2-yl)methanone is sourced from PubChem (CID 90536711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).