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

C17H20FN5O3 — CID 119100488

IUPAC6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-2-yl-[3-(6-ethyl-5-fluoropyrimidin-4-yl)oxypyrrolidin-1-yl]methanone
SMILESCCc1ncnc(OC2CCN(C(=O)c3cc4n(n3)CCCO4)C2)c1F
InChIInChI=1S/C17H20FN5O3/c1-2-12-15(18)16(20-10-19-12)26-11-4-6-22(9-11)17(24)13-8-14-23(21-13)5-3-7-25-14/h8,10-11H,2-7,9H2,1H3
InChIKeyRKIKUOZWEFOIDY-UHFFFAOYSA-N
MW361.38 g/mol
LogP1.45
Rot. Bonds4

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

6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-2-yl-[3-(6-ethyl-5-fluoropyrimidin-4-yl)oxypyrrolidin-1-yl]methanone (PubChem CID 119100488) has the molecular formula C17H20FN5O3 and a molecular weight of 361.38 g/mol. Its IUPAC name is 6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-2-yl-[3-(6-ethyl-5-fluoropyrimidin-4-yl)oxypyrrolidin-1-yl]methanone.

Molecular Properties

Compound Name6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-2-yl-[3-(6-ethyl-5-fluoropyrimidin-4-yl)oxypyrrolidin-1-yl]methanone
PubChem CID119100488
Molecular FormulaC17H20FN5O3
Molecular Weight361.38 g/mol
Exact Mass361.16
IUPAC Name6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-2-yl-[3-(6-ethyl-5-fluoropyrimidin-4-yl)oxypyrrolidin-1-yl]methanone
SMILESCCc1ncnc(OC2CCN(C(=O)c3cc4n(n3)CCCO4)C2)c1F
InChIInChI=1S/C17H20FN5O3/c1-2-12-15(18)16(20-10-19-12)26-11-4-6-22(9-11)17(24)13-8-14-23(21-13)5-3-7-25-14/h8,10-11H,2-7,9H2,1H3
InChIKeyRKIKUOZWEFOIDY-UHFFFAOYSA-N
XLogP1.45
TPSA82.37 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.38
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-[3-(6-ethyl-5-fluoropyrimidin-4-yl)oxypyrrolidin-1-yl]methanone with MolForge

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Related Compounds

(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
(6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-2-yl)(4-((2-methylpyrimidin-4-yl)oxy)piperidin-1-yl)methanone
CID 121162698
[5-(Difluoromethoxy)-1-methylpyrazol-3-yl]-(1-methylspiro[6,7-dihydroimidazo[4,5-c]pyridine-4,4'-oxane]-5-yl)methanone
CID 164640915
[4-(6-Cyclobutyloxypyrimidin-4-yl)piperazin-1-yl]-[2-methyl-5-(trifluoromethyl)pyrazol-3-yl]methanone
CID 56654489
5-(4-Fluorophenyl)-2-[(6-methylpyrimidin-4-yl)oxymethyl]-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one
CID 67974587
[3-[[6-[4-methoxy-5-(trifluoromethyl)-2H-pyrimidin-1-yl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl]oxy]pyrrolidin-1-yl]-(2-methylpyrazol-3-yl)methanone
CID 126483413
[3-[[6-[6-methoxy-5-(trifluoromethyl)-4H-pyrimidin-3-yl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl]oxy]pyrrolidin-1-yl]-(2-methylpyrazol-3-yl)methanone
CID 126483414
[(3S,4R)-3-[5-(difluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]-4-methylpiperidin-1-yl]-(2,3-dihydropyrazolo[5,1-b][1,3]oxazol-6-yl)methanone
CID 139481971
(7-Fluoro-2,3-dihydropyrazolo[5,1-b][1,3]oxazol-6-yl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
CID 91960124
(5,7-Dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)(3-((6-ethyl-5-fluoropyrimidin-4-yl)oxy)pyrrolidin-1-yl)methanone
CID 119100483
1-(3-((6-ethyl-5-fluoropyrimidin-4-yl)oxy)pyrrolidin-1-yl)-2-(1H-pyrazol-1-yl)ethanone
CID 121017710
(6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-3-yl)(3-((6-ethyl-5-fluoropyrimidin-4-yl)oxy)pyrrolidin-1-yl)methanone
CID 121017740

Frequently Asked Questions

What is the IUPAC name of 6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-2-yl-[3-(6-ethyl-5-fluoropyrimidin-4-yl)oxypyrrolidin-1-yl]methanone?
The IUPAC name of 6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-2-yl-[3-(6-ethyl-5-fluoropyrimidin-4-yl)oxypyrrolidin-1-yl]methanone (CID 119100488) is 6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-2-yl-[3-(6-ethyl-5-fluoropyrimidin-4-yl)oxypyrrolidin-1-yl]methanone.
What is the SMILES notation for 6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-2-yl-[3-(6-ethyl-5-fluoropyrimidin-4-yl)oxypyrrolidin-1-yl]methanone?
The canonical SMILES for 6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-2-yl-[3-(6-ethyl-5-fluoropyrimidin-4-yl)oxypyrrolidin-1-yl]methanone is CCc1ncnc(OC2CCN(C(=O)c3cc4n(n3)CCCO4)C2)c1F.
What is the InChIKey of 6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-2-yl-[3-(6-ethyl-5-fluoropyrimidin-4-yl)oxypyrrolidin-1-yl]methanone?
The InChIKey is RKIKUOZWEFOIDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20FN5O3/c1-2-12-15(18)16(20-10-19-12)26-11-4-6-22(9-11)17(24)13-8-14-23(21-13)5-3-7-25-14/h8,10-11H,2-7,9H2,1H3.
What are the key properties of 6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-2-yl-[3-(6-ethyl-5-fluoropyrimidin-4-yl)oxypyrrolidin-1-yl]methanone?
6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-2-yl-[3-(6-ethyl-5-fluoropyrimidin-4-yl)oxypyrrolidin-1-yl]methanone has a molecular weight of 361.38 g/mol, XLogP of 1.45, 4 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-[3-(6-ethyl-5-fluoropyrimidin-4-yl)oxypyrrolidin-1-yl]methanone is sourced from PubChem (CID 119100488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).