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

C15H17N5O3 — CID 90636284

IUPAC6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-2-yl-(3-pyrazin-2-yloxypyrrolidin-1-yl)methanone
SMILESO=C(c1cc2n(n1)CCCO2)N1CCC(Oc2cnccn2)C1
InChIInChI=1S/C15H17N5O3/c21-15(12-8-14-20(18-12)5-1-7-22-14)19-6-2-11(10-19)23-13-9-16-3-4-17-13/h3-4,8-9,11H,1-2,5-7,10H2
InChIKeyNFWPANRCQQHUTO-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-pyrazin-2-yloxypyrrolidin-1-yl)methanone

6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-2-yl-(3-pyrazin-2-yloxypyrrolidin-1-yl)methanone (PubChem CID 90636284) 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-pyrazin-2-yloxypyrrolidin-1-yl)methanone.

Molecular Properties

Compound Name6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-2-yl-(3-pyrazin-2-yloxypyrrolidin-1-yl)methanone
PubChem CID90636284
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-pyrazin-2-yloxypyrrolidin-1-yl)methanone
SMILESO=C(c1cc2n(n1)CCCO2)N1CCC(Oc2cnccn2)C1
InChIInChI=1S/C15H17N5O3/c21-15(12-8-14-20(18-12)5-1-7-22-14)19-6-2-11(10-19)23-13-9-16-3-4-17-13/h3-4,8-9,11H,1-2,5-7,10H2
InChIKeyNFWPANRCQQHUTO-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-pyridazin-3-yloxypyrrolidin-1-yl)methanone
CID 91627266
6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-2-yl-(3-pyridin-4-yloxypiperidin-1-yl)methanone
CID 122255943
[(3S)-3-pyrazin-2-yloxypyrrolidin-1-yl]-pyridin-2-ylmethanone
CID 100753458
[(3R)-3-pyrazin-2-yloxypyrrolidin-1-yl]-pyridin-2-ylmethanone
CID 100753463
3-pyrazin-2-yloxypyrrolidine-1-carboxylic acid
CID 134496966
(4-chlorophenyl)-(3-pyrazin-2-yloxypyrrolidin-1-yl)methanone
CID 90636104
6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-2-yl-(3-hydroxyazetidin-1-yl)methanone
CID 71789397
[4-(dimethylamino)phenyl]-(3-pyrazin-2-yloxypyrrolidin-1-yl)methanone
CID 90636200
naphthalen-1-yl-(3-pyrazin-2-yloxypyrrolidin-1-yl)methanone
CID 90636125
(2,4-dimethoxyphenyl)-(3-pyrazin-2-yloxypyrrolidin-1-yl)methanone
CID 90636093
methyl 1-(6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-2-carbonyl)piperidine-4-carboxylate
CID 90536745
(4-pyrazin-2-yloxypiperidin-1-yl)-pyridin-2-ylmethanone
CID 71799257

Frequently Asked Questions

What is the IUPAC name of 6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-2-yl-(3-pyrazin-2-yloxypyrrolidin-1-yl)methanone?
The IUPAC name of 6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-2-yl-(3-pyrazin-2-yloxypyrrolidin-1-yl)methanone (CID 90636284) is 6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-2-yl-(3-pyrazin-2-yloxypyrrolidin-1-yl)methanone.
What is the SMILES notation for 6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-2-yl-(3-pyrazin-2-yloxypyrrolidin-1-yl)methanone?
The canonical SMILES for 6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-2-yl-(3-pyrazin-2-yloxypyrrolidin-1-yl)methanone is O=C(c1cc2n(n1)CCCO2)N1CCC(Oc2cnccn2)C1.
What is the InChIKey of 6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-2-yl-(3-pyrazin-2-yloxypyrrolidin-1-yl)methanone?
The InChIKey is NFWPANRCQQHUTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N5O3/c21-15(12-8-14-20(18-12)5-1-7-22-14)19-6-2-11(10-19)23-13-9-16-3-4-17-13/h3-4,8-9,11H,1-2,5-7,10H2.
What are the key properties of 6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-2-yl-(3-pyrazin-2-yloxypyrrolidin-1-yl)methanone?
6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-2-yl-(3-pyrazin-2-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-pyrazin-2-yloxypyrrolidin-1-yl)methanone is sourced from PubChem (CID 90636284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).