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

C17H21N5O2 — CID 71789367

IUPAC6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-2-yl-[4-(pyridin-3-ylmethyl)piperazin-1-yl]methanone
SMILESO=C(c1cc2n(n1)CCCO2)N1CCN(Cc2cccnc2)CC1
InChIInChI=1S/C17H21N5O2/c23-17(15-11-16-22(19-15)5-2-10-24-16)21-8-6-20(7-9-21)13-14-3-1-4-18-12-14/h1,3-4,11-12H,2,5-10,13H2
InChIKeyINOOWEHKLTYHNV-UHFFFAOYSA-N
MW327.39 g/mol
LogP1.02
Rot. Bonds3

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

6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-2-yl-[4-(pyridin-3-ylmethyl)piperazin-1-yl]methanone (PubChem CID 71789367) has the molecular formula C17H21N5O2 and a molecular weight of 327.39 g/mol. Its IUPAC name is 6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-2-yl-[4-(pyridin-3-ylmethyl)piperazin-1-yl]methanone.

Molecular Properties

Compound Name6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-2-yl-[4-(pyridin-3-ylmethyl)piperazin-1-yl]methanone
PubChem CID71789367
Molecular FormulaC17H21N5O2
Molecular Weight327.39 g/mol
Exact Mass327.17
IUPAC Name6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-2-yl-[4-(pyridin-3-ylmethyl)piperazin-1-yl]methanone
SMILESO=C(c1cc2n(n1)CCCO2)N1CCN(Cc2cccnc2)CC1
InChIInChI=1S/C17H21N5O2/c23-17(15-11-16-22(19-15)5-2-10-24-16)21-8-6-20(7-9-21)13-14-3-1-4-18-12-14/h1,3-4,11-12H,2,5-10,13H2
InChIKeyINOOWEHKLTYHNV-UHFFFAOYSA-N
XLogP1.02
TPSA63.49 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.39
LogP ≤ 51.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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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-[4-(pyridin-3-ylmethyl)piperazin-1-yl]methanone?
The IUPAC name of 6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-2-yl-[4-(pyridin-3-ylmethyl)piperazin-1-yl]methanone (CID 71789367) is 6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-2-yl-[4-(pyridin-3-ylmethyl)piperazin-1-yl]methanone.
What is the SMILES notation for 6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-2-yl-[4-(pyridin-3-ylmethyl)piperazin-1-yl]methanone?
The canonical SMILES for 6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-2-yl-[4-(pyridin-3-ylmethyl)piperazin-1-yl]methanone is O=C(c1cc2n(n1)CCCO2)N1CCN(Cc2cccnc2)CC1.
What is the InChIKey of 6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-2-yl-[4-(pyridin-3-ylmethyl)piperazin-1-yl]methanone?
The InChIKey is INOOWEHKLTYHNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N5O2/c23-17(15-11-16-22(19-15)5-2-10-24-16)21-8-6-20(7-9-21)13-14-3-1-4-18-12-14/h1,3-4,11-12H,2,5-10,13H2.
What are the key properties of 6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-2-yl-[4-(pyridin-3-ylmethyl)piperazin-1-yl]methanone?
6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-2-yl-[4-(pyridin-3-ylmethyl)piperazin-1-yl]methanone has a molecular weight of 327.39 g/mol, XLogP of 1.02, 3 rotatable bonds, 0 hydrogen bond donors, and 6 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-(pyridin-3-ylmethyl)piperazin-1-yl]methanone is sourced from PubChem (CID 71789367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).