6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-2-yl-(3-pyridazin-3-yloxypyrrolidin-1-yl)methanone

C15H17N5O3 — CID 91627266

IUPAC6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-2-yl-(3-pyridazin-3-yloxypyrrolidin-1-yl)methanone
SMILESO=C(c1cc2n(n1)CCCO2)N1CCC(Oc2cccnn2)C1
InChIInChI=1S/C15H17N5O3/c21-15(12-9-14-20(18-12)6-2-8-22-14)19-7-4-11(10-19)23-13-3-1-5-16-17-13/h1,3,5,9,11H,2,4,6-8,10H2
InChIKeyLJPWWGIZJCHOCK-UHFFFAOYSA-N
MW315.33 g/mol
LogP0.75
Rot. Bonds3

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

6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-2-yl-(3-pyridazin-3-yloxypyrrolidin-1-yl)methanone (PubChem CID 91627266) has the molecular formula C15H17N5O3 and a molecular weight of 315.33 g/mol. Its IUPAC name is 6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-2-yl-(3-pyridazin-3-yloxypyrrolidin-1-yl)methanone.

Molecular Properties

Compound Name6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-2-yl-(3-pyridazin-3-yloxypyrrolidin-1-yl)methanone
PubChem CID91627266
Molecular FormulaC15H17N5O3
Molecular Weight315.33 g/mol
Exact Mass315.13
IUPAC Name6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-2-yl-(3-pyridazin-3-yloxypyrrolidin-1-yl)methanone
SMILESO=C(c1cc2n(n1)CCCO2)N1CCC(Oc2cccnn2)C1
InChIInChI=1S/C15H17N5O3/c21-15(12-9-14-20(18-12)6-2-8-22-14)19-7-4-11(10-19)23-13-3-1-5-16-17-13/h1,3,5,9,11H,2,4,6-8,10H2
InChIKeyLJPWWGIZJCHOCK-UHFFFAOYSA-N
XLogP0.75
TPSA82.37 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.33
LogP ≤ 50.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-2-yl-(3-pyrazin-2-yloxypyrrolidin-1-yl)methanone
CID 90636284
6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-2-yl-(3-pyridin-4-yloxypiperidin-1-yl)methanone
CID 122255943
(5-methylpyrazin-2-yl)-[(3R)-3-pyridazin-3-yloxypyrrolidin-1-yl]methanone
CID 100623677
(5-methylpyrazin-2-yl)-(3-pyridazin-3-yloxypyrrolidin-1-yl)methanone
CID 91627264
1-(3-pyridazin-3-yloxypyrrolidin-1-yl)ethanone
CID 90638196
tert-butyl (3R)-3-pyridazin-3-yloxypyrrolidine-1-carboxylate
CID 129411647
furan-3-yl-[(3R)-3-pyridazin-3-yloxypiperidin-1-yl]methanone
CID 100639672
(2-methyl-1,3-thiazol-4-yl)-[(3R)-3-pyridazin-3-yloxypyrrolidin-1-yl]methanone
CID 100620419
(4-phenylphenyl)-(3-pyridazin-3-yloxypyrrolidin-1-yl)methanone
CID 90638273
(3-pyridazin-3-yloxypyrrolidin-1-yl)-thiophen-2-ylmethanone
CID 91627208
N-propan-2-yl-3-pyridazin-3-yloxypyrrolidine-1-carboxamide
CID 90638477
3-cyclopentyl-1-[(3R)-3-pyridazin-3-yloxypyrrolidin-1-yl]propan-1-one
CID 100620918

Frequently Asked Questions

What is the IUPAC name of 6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-2-yl-(3-pyridazin-3-yloxypyrrolidin-1-yl)methanone?
The IUPAC name of 6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-2-yl-(3-pyridazin-3-yloxypyrrolidin-1-yl)methanone (CID 91627266) is 6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-2-yl-(3-pyridazin-3-yloxypyrrolidin-1-yl)methanone.
What is the SMILES notation for 6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-2-yl-(3-pyridazin-3-yloxypyrrolidin-1-yl)methanone?
The canonical SMILES for 6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-2-yl-(3-pyridazin-3-yloxypyrrolidin-1-yl)methanone is O=C(c1cc2n(n1)CCCO2)N1CCC(Oc2cccnn2)C1.
What is the InChIKey of 6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-2-yl-(3-pyridazin-3-yloxypyrrolidin-1-yl)methanone?
The InChIKey is LJPWWGIZJCHOCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N5O3/c21-15(12-9-14-20(18-12)6-2-8-22-14)19-7-4-11(10-19)23-13-3-1-5-16-17-13/h1,3,5,9,11H,2,4,6-8,10H2.
What are the key properties of 6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-2-yl-(3-pyridazin-3-yloxypyrrolidin-1-yl)methanone?
6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-2-yl-(3-pyridazin-3-yloxypyrrolidin-1-yl)methanone has a molecular weight of 315.33 g/mol, XLogP of 0.75, 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-(3-pyridazin-3-yloxypyrrolidin-1-yl)methanone is sourced from PubChem (CID 91627266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).