pyrazolidin-3-yl-(11-pyridin-2-yl-8-oxa-2,11-diazaspiro[5.6]dodecan-2-yl)methanone

C18H27N5O2 — CID 134070411

IUPACpyrazolidin-3-yl-(11-pyridin-2-yl-8-oxa-2,11-diazaspiro[5.6]dodecan-2-yl)methanone
SMILESO=C(C1CCNN1)N1CCCC2(COCCN(c3ccccn3)C2)C1
InChIInChI=1S/C18H27N5O2/c24-17(15-5-8-20-21-15)23-9-3-6-18(13-23)12-22(10-11-25-14-18)16-4-1-2-7-19-16/h1-2,4,7,15,20-21H,3,5-6,8-14H2
InChIKeyXLZMPBCLHXCHCF-UHFFFAOYSA-N
MW345.45 g/mol
LogP0.39
Rot. Bonds2

About pyrazolidin-3-yl-(11-pyridin-2-yl-8-oxa-2,11-diazaspiro[5.6]dodecan-2-yl)methanone

pyrazolidin-3-yl-(11-pyridin-2-yl-8-oxa-2,11-diazaspiro[5.6]dodecan-2-yl)methanone (PubChem CID 134070411) has the molecular formula C18H27N5O2 and a molecular weight of 345.45 g/mol. Its IUPAC name is pyrazolidin-3-yl-(11-pyridin-2-yl-8-oxa-2,11-diazaspiro[5.6]dodecan-2-yl)methanone.

Molecular Properties

Compound Namepyrazolidin-3-yl-(11-pyridin-2-yl-8-oxa-2,11-diazaspiro[5.6]dodecan-2-yl)methanone
PubChem CID134070411
Molecular FormulaC18H27N5O2
Molecular Weight345.45 g/mol
Exact Mass345.22
IUPAC Namepyrazolidin-3-yl-(11-pyridin-2-yl-8-oxa-2,11-diazaspiro[5.6]dodecan-2-yl)methanone
SMILESO=C(C1CCNN1)N1CCCC2(COCCN(c3ccccn3)C2)C1
InChIInChI=1S/C18H27N5O2/c24-17(15-5-8-20-21-15)23-9-3-6-18(13-23)12-22(10-11-25-14-18)16-4-1-2-7-19-16/h1-2,4,7,15,20-21H,3,5-6,8-14H2
InChIKeyXLZMPBCLHXCHCF-UHFFFAOYSA-N
XLogP0.39
TPSA69.73 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.45
LogP ≤ 50.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

[(5S)-2-pyridin-2-yl-7-oxa-2,10-diazaspiro[4.6]undecan-10-yl]-pyrrolidin-1-ylmethanone
CID 97385023
cyclopentyl-(11-pyrimidin-2-yl-8-oxa-2,11-diazaspiro[5.6]dodecan-2-yl)methanone
CID 134074141
[(2S)-oxolan-2-yl]-[(6S)-11-pyrimidin-2-yl-8-oxa-2,11-diazaspiro[5.6]dodecan-2-yl]methanone
CID 97398115
pyridin-2-yl-[(5R)-2-pyridin-2-yl-7-oxa-2,10-diazaspiro[4.6]undecan-10-yl]methanone
CID 97472293
pyridin-4-yl-(2-pyridin-2-yl-7-oxa-2,10-diazaspiro[4.6]undecan-10-yl)methanone
CID 131640073
[(6S)-11-pyrazin-2-yl-8-oxa-2,11-diazaspiro[5.6]dodecan-2-yl]-pyrrolidin-1-ylmethanone
CID 97372938
[(5S)-9-pyridin-2-yl-2,9-diazaspiro[4.5]decan-2-yl]-pyrrolidin-1-ylmethanone
CID 97483871
(5S)-10-(5-methylpyrimidin-2-yl)-2-pyridin-2-yl-7-oxa-2,10-diazaspiro[4.6]undecane
CID 97472274
[(2R)-oxolan-2-yl]-[(6S)-11-phenyl-8-oxa-2,11-diazaspiro[5.6]dodecan-2-yl]methanone
CID 97494631
cyclopentyl-(11-pyridin-3-yl-8-oxa-2,11-diazaspiro[5.6]dodecan-2-yl)methanone
CID 134072825
1-[(6S)-11-pyrimidin-2-yl-8-oxa-2,11-diazaspiro[5.6]dodecan-2-yl]propan-1-one
CID 97398116
1-(2-pyridin-2-yl-2,7-diazaspiro[4.5]decan-7-yl)ethanone
CID 134074831

Frequently Asked Questions

What is the IUPAC name of pyrazolidin-3-yl-(11-pyridin-2-yl-8-oxa-2,11-diazaspiro[5.6]dodecan-2-yl)methanone?
The IUPAC name of pyrazolidin-3-yl-(11-pyridin-2-yl-8-oxa-2,11-diazaspiro[5.6]dodecan-2-yl)methanone (CID 134070411) is pyrazolidin-3-yl-(11-pyridin-2-yl-8-oxa-2,11-diazaspiro[5.6]dodecan-2-yl)methanone.
What is the SMILES notation for pyrazolidin-3-yl-(11-pyridin-2-yl-8-oxa-2,11-diazaspiro[5.6]dodecan-2-yl)methanone?
The canonical SMILES for pyrazolidin-3-yl-(11-pyridin-2-yl-8-oxa-2,11-diazaspiro[5.6]dodecan-2-yl)methanone is O=C(C1CCNN1)N1CCCC2(COCCN(c3ccccn3)C2)C1.
What is the InChIKey of pyrazolidin-3-yl-(11-pyridin-2-yl-8-oxa-2,11-diazaspiro[5.6]dodecan-2-yl)methanone?
The InChIKey is XLZMPBCLHXCHCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N5O2/c24-17(15-5-8-20-21-15)23-9-3-6-18(13-23)12-22(10-11-25-14-18)16-4-1-2-7-19-16/h1-2,4,7,15,20-21H,3,5-6,8-14H2.
What are the key properties of pyrazolidin-3-yl-(11-pyridin-2-yl-8-oxa-2,11-diazaspiro[5.6]dodecan-2-yl)methanone?
pyrazolidin-3-yl-(11-pyridin-2-yl-8-oxa-2,11-diazaspiro[5.6]dodecan-2-yl)methanone has a molecular weight of 345.45 g/mol, XLogP of 0.39, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for pyrazolidin-3-yl-(11-pyridin-2-yl-8-oxa-2,11-diazaspiro[5.6]dodecan-2-yl)methanone is sourced from PubChem (CID 134070411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).