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

C17H21N5O3 — CID 121162698

IUPAC6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-2-yl-[4-(2-methylpyrimidin-4-yl)oxypiperidin-1-yl]methanone
SMILESCc1nccc(OC2CCN(C(=O)c3cc4n(n3)CCCO4)CC2)n1
InChIInChI=1S/C17H21N5O3/c1-12-18-6-3-15(19-12)25-13-4-8-21(9-5-13)17(23)14-11-16-22(20-14)7-2-10-24-16/h3,6,11,13H,2,4-5,7-10H2,1H3
InChIKeyWFGXVPNLFCGTPN-UHFFFAOYSA-N
MW343.39 g/mol
LogP1.45
Rot. Bonds3

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

6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-2-yl-[4-(2-methylpyrimidin-4-yl)oxypiperidin-1-yl]methanone (PubChem CID 121162698) has the molecular formula C17H21N5O3 and a molecular weight of 343.39 g/mol. Its IUPAC name is 6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-2-yl-[4-(2-methylpyrimidin-4-yl)oxypiperidin-1-yl]methanone.

Molecular Properties

Compound Name6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-2-yl-[4-(2-methylpyrimidin-4-yl)oxypiperidin-1-yl]methanone
PubChem CID121162698
Molecular FormulaC17H21N5O3
Molecular Weight343.39 g/mol
Exact Mass343.16
IUPAC Name6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-2-yl-[4-(2-methylpyrimidin-4-yl)oxypiperidin-1-yl]methanone
SMILESCc1nccc(OC2CCN(C(=O)c3cc4n(n3)CCCO4)CC2)n1
InChIInChI=1S/C17H21N5O3/c1-12-18-6-3-15(19-12)25-13-4-8-21(9-5-13)17(23)14-11-16-22(20-14)7-2-10-24-16/h3,6,11,13H,2,4-5,7-10H2,1H3
InChIKeyWFGXVPNLFCGTPN-UHFFFAOYSA-N
XLogP1.45
TPSA82.37 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.39
LogP ≤ 51.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-2-yl-[4-(2-methylpyrimidin-4-yl)oxypiperidin-1-yl]methanone with MolForge

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Related Compounds

[4-(4-Ethoxy-6-methylpyrimidin-2-yl)piperazin-1-yl]-(2-methylpyrazol-3-yl)methanone
CID 53584858
[4-(4-ethoxypyrimidin-2-yl)piperazin-1-yl]-(1H-pyrazol-5-yl)methanone
CID 53585906
[4-(4-ethoxy-6-methylpyrimidin-2-yl)piperazin-1-yl]-(1H-pyrazol-5-yl)methanone
CID 53611965
(3-{[6-(Dimethylamino)-4-pyrimidinyl]oxy}-1-pyrrolidinyl)(1-methyl-1H-pyrazol-5-YL)methanone
CID 53185838
(6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-2-yl)(4-(pyrimidin-2-yl)piperazin-1-yl)methanone
CID 71789358
(6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-2-yl)(4-(2-methyl-6-(trifluoromethyl)pyrimidin-4-yl)piperazin-1-yl)methanone
CID 91817847
[(3S)-3-[6-(dimethylamino)pyrimidin-4-yl]oxypyrrolidin-1-yl]-(2-methylpyrazol-3-yl)methanone
CID 95108018
1-(4-((2,6-dimethylpyrimidin-4-yl)oxy)piperidin-1-yl)-2-(1H-pyrazol-1-yl)ethanone
CID 119100669
(6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-2-yl)(3-((5-fluoropyrimidin-2-yl)oxy)pyrrolidin-1-yl)methanone
CID 121017651
N-(3-(1H-imidazol-1-yl)propyl)-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-2-carboxamide
CID 71789303
N-((1r,4r)-4-((5-fluoropyrimidin-2-yl)oxy)cyclohexyl)-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-2-carboxamide
CID 90634417
(6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-2-yl)(3-((6-ethyl-5-fluoropyrimidin-4-yl)oxy)pyrrolidin-1-yl)methanone
CID 119100488

Frequently Asked Questions

What is the IUPAC name of 6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-2-yl-[4-(2-methylpyrimidin-4-yl)oxypiperidin-1-yl]methanone?
The IUPAC name of 6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-2-yl-[4-(2-methylpyrimidin-4-yl)oxypiperidin-1-yl]methanone (CID 121162698) is 6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-2-yl-[4-(2-methylpyrimidin-4-yl)oxypiperidin-1-yl]methanone.
What is the SMILES notation for 6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-2-yl-[4-(2-methylpyrimidin-4-yl)oxypiperidin-1-yl]methanone?
The canonical SMILES for 6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-2-yl-[4-(2-methylpyrimidin-4-yl)oxypiperidin-1-yl]methanone is Cc1nccc(OC2CCN(C(=O)c3cc4n(n3)CCCO4)CC2)n1.
What is the InChIKey of 6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-2-yl-[4-(2-methylpyrimidin-4-yl)oxypiperidin-1-yl]methanone?
The InChIKey is WFGXVPNLFCGTPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N5O3/c1-12-18-6-3-15(19-12)25-13-4-8-21(9-5-13)17(23)14-11-16-22(20-14)7-2-10-24-16/h3,6,11,13H,2,4-5,7-10H2,1H3.
What are the key properties of 6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-2-yl-[4-(2-methylpyrimidin-4-yl)oxypiperidin-1-yl]methanone?
6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-2-yl-[4-(2-methylpyrimidin-4-yl)oxypiperidin-1-yl]methanone has a molecular weight of 343.39 g/mol, XLogP of 1.45, 3 rotatable bonds, 0 hydrogen bond donors, and 7 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-[4-(2-methylpyrimidin-4-yl)oxypiperidin-1-yl]methanone is sourced from PubChem (CID 121162698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).