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

C16H18ClN5O2 — CID 91959549

IUPAC(3-chloro-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-2-yl)-(4-pyridin-2-ylpiperazin-1-yl)methanone
SMILESO=C(c1nn2c(c1Cl)OCCC2)N1CCN(c2ccccn2)CC1
InChIInChI=1S/C16H18ClN5O2/c17-13-14(19-22-6-3-11-24-16(13)22)15(23)21-9-7-20(8-10-21)12-4-1-2-5-18-12/h1-2,4-5H,3,6-11H2
InChIKeyWVKOJRIJKUCNHO-UHFFFAOYSA-N
MW347.81 g/mol
LogP1.68
Rot. Bonds2

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

(3-chloro-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-2-yl)-(4-pyridin-2-ylpiperazin-1-yl)methanone (PubChem CID 91959549) has the molecular formula C16H18ClN5O2 and a molecular weight of 347.81 g/mol. Its IUPAC name is (3-chloro-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-2-yl)-(4-pyridin-2-ylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name(3-chloro-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-2-yl)-(4-pyridin-2-ylpiperazin-1-yl)methanone
PubChem CID91959549
Molecular FormulaC16H18ClN5O2
Molecular Weight347.81 g/mol
Exact Mass347.11
IUPAC Name(3-chloro-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-2-yl)-(4-pyridin-2-ylpiperazin-1-yl)methanone
SMILESO=C(c1nn2c(c1Cl)OCCC2)N1CCN(c2ccccn2)CC1
InChIInChI=1S/C16H18ClN5O2/c17-13-14(19-22-6-3-11-24-16(13)22)15(23)21-9-7-20(8-10-21)12-4-1-2-5-18-12/h1-2,4-5H,3,6-11H2
InChIKeyWVKOJRIJKUCNHO-UHFFFAOYSA-N
XLogP1.68
TPSA63.49 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.81
LogP ≤ 51.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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

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Related Compounds

(3-chloro-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-2-yl)-pyrrolidin-1-ylmethanone
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morpholin-4-yl-[1-(4-pyridin-2-ylpiperazin-1-yl)isoquinolin-4-yl]methanone
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(2-chloro-4-phenylphenyl)-(4-pyridin-2-ylpiperazin-1-yl)methanone
CID 68801528
6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-2-yl-[3-(4-pyridin-2-ylpiperazin-1-yl)azetidin-1-yl]methanone
CID 126893285
(4-chlorothiophen-2-yl)-(4-pyridin-2-ylpiperazin-1-yl)methanone
CID 110854869
[(6R)-6-(4-chlorophenyl)-6,7-dihydro-4H-triazolo[5,1-c][1,4]oxazin-3-yl]-(4-pyridin-2-ylpiperazin-1-yl)methanone
CID 125128968
[4-(2-chlorophenyl)piperazin-1-yl]-(6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-3-yl)methanone
CID 71789428
(1-methyl-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl)-(4-pyridin-2-ylpiperazin-1-yl)methanone
CID 110389044
furan-2-yl-(4-pyridin-2-ylpiperazin-1-yl)methanone
CID 759046
(2-methylfuran-3-yl)-(4-pyridin-2-ylpiperazin-1-yl)methanone
CID 801097
[(6S)-6-phenyl-6,7-dihydro-4H-triazolo[5,1-c][1,4]oxazin-3-yl]-(4-pyridin-2-ylpiperazin-1-yl)methanone
CID 125128147

Frequently Asked Questions

What is the IUPAC name of (3-chloro-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-2-yl)-(4-pyridin-2-ylpiperazin-1-yl)methanone?
The IUPAC name of (3-chloro-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-2-yl)-(4-pyridin-2-ylpiperazin-1-yl)methanone (CID 91959549) is (3-chloro-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-2-yl)-(4-pyridin-2-ylpiperazin-1-yl)methanone.
What is the SMILES notation for (3-chloro-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-2-yl)-(4-pyridin-2-ylpiperazin-1-yl)methanone?
The canonical SMILES for (3-chloro-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-2-yl)-(4-pyridin-2-ylpiperazin-1-yl)methanone is O=C(c1nn2c(c1Cl)OCCC2)N1CCN(c2ccccn2)CC1.
What is the InChIKey of (3-chloro-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-2-yl)-(4-pyridin-2-ylpiperazin-1-yl)methanone?
The InChIKey is WVKOJRIJKUCNHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18ClN5O2/c17-13-14(19-22-6-3-11-24-16(13)22)15(23)21-9-7-20(8-10-21)12-4-1-2-5-18-12/h1-2,4-5H,3,6-11H2.
What are the key properties of (3-chloro-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-2-yl)-(4-pyridin-2-ylpiperazin-1-yl)methanone?
(3-chloro-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-2-yl)-(4-pyridin-2-ylpiperazin-1-yl)methanone has a molecular weight of 347.81 g/mol, XLogP of 1.68, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3-chloro-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-2-yl)-(4-pyridin-2-ylpiperazin-1-yl)methanone is sourced from PubChem (CID 91959549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).