6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-2-yl-[3-[3-(dimethylamino)pyrazin-2-yl]oxypiperidin-1-yl]methanone

C18H24N6O3 — CID 91628293

IUPAC6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-2-yl-[3-[3-(dimethylamino)pyrazin-2-yl]oxypiperidin-1-yl]methanone
SMILESCN(C)c1nccnc1OC1CCCN(C(=O)c2cc3n(n2)CCCO3)C1
InChIInChI=1S/C18H24N6O3/c1-22(2)16-17(20-7-6-19-16)27-13-5-3-8-23(12-13)18(25)14-11-15-24(21-14)9-4-10-26-15/h6-7,11,13H,3-5,8-10,12H2,1-2H3
InChIKeyZQVCNFUKAGEIOX-UHFFFAOYSA-N
MW372.43 g/mol
LogP1.21
Rot. Bonds4

About 6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-2-yl-[3-[3-(dimethylamino)pyrazin-2-yl]oxypiperidin-1-yl]methanone

6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-2-yl-[3-[3-(dimethylamino)pyrazin-2-yl]oxypiperidin-1-yl]methanone (PubChem CID 91628293) has the molecular formula C18H24N6O3 and a molecular weight of 372.43 g/mol. Its IUPAC name is 6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-2-yl-[3-[3-(dimethylamino)pyrazin-2-yl]oxypiperidin-1-yl]methanone.

Molecular Properties

Compound Name6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-2-yl-[3-[3-(dimethylamino)pyrazin-2-yl]oxypiperidin-1-yl]methanone
PubChem CID91628293
Molecular FormulaC18H24N6O3
Molecular Weight372.43 g/mol
Exact Mass372.19
IUPAC Name6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-2-yl-[3-[3-(dimethylamino)pyrazin-2-yl]oxypiperidin-1-yl]methanone
SMILESCN(C)c1nccnc1OC1CCCN(C(=O)c2cc3n(n2)CCCO3)C1
InChIInChI=1S/C18H24N6O3/c1-22(2)16-17(20-7-6-19-16)27-13-5-3-8-23(12-13)18(25)14-11-15-24(21-14)9-4-10-26-15/h6-7,11,13H,3-5,8-10,12H2,1-2H3
InChIKeyZQVCNFUKAGEIOX-UHFFFAOYSA-N
XLogP1.21
TPSA85.61 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.43
LogP ≤ 51.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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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-[3-[3-(dimethylamino)pyrazin-2-yl]oxypiperidin-1-yl]methanone?
The IUPAC name of 6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-2-yl-[3-[3-(dimethylamino)pyrazin-2-yl]oxypiperidin-1-yl]methanone (CID 91628293) is 6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-2-yl-[3-[3-(dimethylamino)pyrazin-2-yl]oxypiperidin-1-yl]methanone.
What is the SMILES notation for 6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-2-yl-[3-[3-(dimethylamino)pyrazin-2-yl]oxypiperidin-1-yl]methanone?
The canonical SMILES for 6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-2-yl-[3-[3-(dimethylamino)pyrazin-2-yl]oxypiperidin-1-yl]methanone is CN(C)c1nccnc1OC1CCCN(C(=O)c2cc3n(n2)CCCO3)C1.
What is the InChIKey of 6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-2-yl-[3-[3-(dimethylamino)pyrazin-2-yl]oxypiperidin-1-yl]methanone?
The InChIKey is ZQVCNFUKAGEIOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N6O3/c1-22(2)16-17(20-7-6-19-16)27-13-5-3-8-23(12-13)18(25)14-11-15-24(21-14)9-4-10-26-15/h6-7,11,13H,3-5,8-10,12H2,1-2H3.
What are the key properties of 6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-2-yl-[3-[3-(dimethylamino)pyrazin-2-yl]oxypiperidin-1-yl]methanone?
6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-2-yl-[3-[3-(dimethylamino)pyrazin-2-yl]oxypiperidin-1-yl]methanone has a molecular weight of 372.43 g/mol, XLogP of 1.21, 4 rotatable bonds, 0 hydrogen bond donors, and 8 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-[3-[3-(dimethylamino)pyrazin-2-yl]oxypiperidin-1-yl]methanone is sourced from PubChem (CID 91628293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).