[(2R)-oxolan-2-yl]-(8-pyrazin-2-yl-1-oxa-4,8-diazaspiro[5.5]undecan-4-yl)methanone

C17H24N4O3 — CID 131652950

IUPAC[(2R)-oxolan-2-yl]-(8-pyrazin-2-yl-1-oxa-4,8-diazaspiro[5.5]undecan-4-yl)methanone
SMILESO=C([C@H]1CCCO1)N1CCOC2(CCCN(c3cnccn3)C2)C1
InChIInChI=1S/C17H24N4O3/c22-16(14-3-1-9-23-14)21-8-10-24-17(13-21)4-2-7-20(12-17)15-11-18-5-6-19-15/h5-6,11,14H,1-4,7-10,12-13H2/t14-,17?/m1/s1
InChIKeyXZDMBKFWTQSANV-XPCCGILXSA-N
MW332.40 g/mol
LogP0.85
Rot. Bonds2

About [(2R)-oxolan-2-yl]-(8-pyrazin-2-yl-1-oxa-4,8-diazaspiro[5.5]undecan-4-yl)methanone

[(2R)-oxolan-2-yl]-(8-pyrazin-2-yl-1-oxa-4,8-diazaspiro[5.5]undecan-4-yl)methanone (PubChem CID 131652950) has the molecular formula C17H24N4O3 and a molecular weight of 332.40 g/mol. Its IUPAC name is [(2R)-oxolan-2-yl]-(8-pyrazin-2-yl-1-oxa-4,8-diazaspiro[5.5]undecan-4-yl)methanone.

Molecular Properties

Compound Name[(2R)-oxolan-2-yl]-(8-pyrazin-2-yl-1-oxa-4,8-diazaspiro[5.5]undecan-4-yl)methanone
PubChem CID131652950
Molecular FormulaC17H24N4O3
Molecular Weight332.40 g/mol
Exact Mass332.18
IUPAC Name[(2R)-oxolan-2-yl]-(8-pyrazin-2-yl-1-oxa-4,8-diazaspiro[5.5]undecan-4-yl)methanone
SMILESO=C([C@H]1CCCO1)N1CCOC2(CCCN(c3cnccn3)C2)C1
InChIInChI=1S/C17H24N4O3/c22-16(14-3-1-9-23-14)21-8-10-24-17(13-21)4-2-7-20(12-17)15-11-18-5-6-19-15/h5-6,11,14H,1-4,7-10,12-13H2/t14-,17?/m1/s1
InChIKeyXZDMBKFWTQSANV-XPCCGILXSA-N
XLogP0.85
TPSA67.79 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.40
LogP ≤ 50.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

pyrazin-2-yl-(8-pyrazin-2-yl-1-oxa-4,8-diazaspiro[5.5]undecan-4-yl)methanone
CID 131639207
(6S)-N,N-dimethyl-8-pyrazin-2-yl-1-oxa-4,8-diazaspiro[5.5]undecane-4-carboxamide
CID 97372463
[(6S)-8-(5-methyl-1,3,4-oxadiazol-2-yl)-1-oxa-4,8-diazaspiro[5.5]undecan-4-yl]-[(2R)-oxolan-2-yl]methanone
CID 97492362
1-[(6S)-4-[(2R)-oxolane-2-carbonyl]-1-oxa-4,8-diazaspiro[5.5]undecan-8-yl]ethanone
CID 95043174
(6-methyl-2-pyridinyl)-[(6S)-8-pyrazin-2-yl-1-oxa-4,8-diazaspiro[5.5]undecan-4-yl]methanone
CID 97372447
(6S)-8-pyrazin-2-yl-4-pyrimidin-2-yl-1-oxa-4,8-diazaspiro[5.5]undecane
CID 97372435
pyrazin-2-yl-(8-pyrimidin-2-yl-1-oxa-4,8-diazaspiro[5.5]undecan-4-yl)methanone
CID 131662756
(6R)-4-(5-ethylpyrimidin-2-yl)-8-pyrazin-2-yl-1-oxa-4,8-diazaspiro[5.5]undecane
CID 97396496
N,N-dimethyl-6-(4-pyrazin-2-yl-1-oxa-4,8-diazaspiro[5.5]undecan-8-yl)pyridin-3-amine
CID 131652734
(6S)-8-(3-fluoro-2-pyridinyl)-4-pyrazin-2-yl-1-oxa-4,8-diazaspiro[5.5]undecane
CID 97396446
(6S)-8-pyrazin-2-yl-4-(1,3-thiazol-2-ylmethyl)-1-oxa-4,8-diazaspiro[5.5]undecane
CID 97372423
(6S)-8-pyrazin-2-yl-4-(pyridin-3-ylmethyl)-1-oxa-4,8-diazaspiro[5.5]undecane
CID 97372434

Frequently Asked Questions

What is the IUPAC name of [(2R)-oxolan-2-yl]-(8-pyrazin-2-yl-1-oxa-4,8-diazaspiro[5.5]undecan-4-yl)methanone?
The IUPAC name of [(2R)-oxolan-2-yl]-(8-pyrazin-2-yl-1-oxa-4,8-diazaspiro[5.5]undecan-4-yl)methanone (CID 131652950) is [(2R)-oxolan-2-yl]-(8-pyrazin-2-yl-1-oxa-4,8-diazaspiro[5.5]undecan-4-yl)methanone.
What is the SMILES notation for [(2R)-oxolan-2-yl]-(8-pyrazin-2-yl-1-oxa-4,8-diazaspiro[5.5]undecan-4-yl)methanone?
The canonical SMILES for [(2R)-oxolan-2-yl]-(8-pyrazin-2-yl-1-oxa-4,8-diazaspiro[5.5]undecan-4-yl)methanone is O=C([C@H]1CCCO1)N1CCOC2(CCCN(c3cnccn3)C2)C1.
What is the InChIKey of [(2R)-oxolan-2-yl]-(8-pyrazin-2-yl-1-oxa-4,8-diazaspiro[5.5]undecan-4-yl)methanone?
The InChIKey is XZDMBKFWTQSANV-XPCCGILXSA-N. The full InChI is InChI=1S/C17H24N4O3/c22-16(14-3-1-9-23-14)21-8-10-24-17(13-21)4-2-7-20(12-17)15-11-18-5-6-19-15/h5-6,11,14H,1-4,7-10,12-13H2/t14-,17?/m1/s1.
What are the key properties of [(2R)-oxolan-2-yl]-(8-pyrazin-2-yl-1-oxa-4,8-diazaspiro[5.5]undecan-4-yl)methanone?
[(2R)-oxolan-2-yl]-(8-pyrazin-2-yl-1-oxa-4,8-diazaspiro[5.5]undecan-4-yl)methanone has a molecular weight of 332.40 g/mol, XLogP of 0.85, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-oxolan-2-yl]-(8-pyrazin-2-yl-1-oxa-4,8-diazaspiro[5.5]undecan-4-yl)methanone is sourced from PubChem (CID 131652950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).