2-[(4-fluorophenyl)methyl]-11-pyrazin-2-yl-8-oxa-2,11-diazaspiro[5.6]dodecane

C20H25FN4O — CID 131651615

IUPAC2-[(4-fluorophenyl)methyl]-11-pyrazin-2-yl-8-oxa-2,11-diazaspiro[5.6]dodecane
SMILESFc1ccc(CN2CCCC3(COCCN(c4cnccn4)C3)C2)cc1
InChIInChI=1S/C20H25FN4O/c21-18-4-2-17(3-5-18)13-24-9-1-6-20(14-24)15-25(10-11-26-16-20)19-12-22-7-8-23-19/h2-5,7-8,12H,1,6,9-11,13-16H2
InChIKeyQBYKFGWFJVJUHZ-UHFFFAOYSA-N
MW356.44 g/mol
LogP2.73
Rot. Bonds3

About 2-[(4-fluorophenyl)methyl]-11-pyrazin-2-yl-8-oxa-2,11-diazaspiro[5.6]dodecane

2-[(4-fluorophenyl)methyl]-11-pyrazin-2-yl-8-oxa-2,11-diazaspiro[5.6]dodecane (PubChem CID 131651615) has the molecular formula C20H25FN4O and a molecular weight of 356.44 g/mol. Its IUPAC name is 2-[(4-fluorophenyl)methyl]-11-pyrazin-2-yl-8-oxa-2,11-diazaspiro[5.6]dodecane.

Molecular Properties

Compound Name2-[(4-fluorophenyl)methyl]-11-pyrazin-2-yl-8-oxa-2,11-diazaspiro[5.6]dodecane
PubChem CID131651615
Molecular FormulaC20H25FN4O
Molecular Weight356.44 g/mol
Exact Mass356.20
IUPAC Name2-[(4-fluorophenyl)methyl]-11-pyrazin-2-yl-8-oxa-2,11-diazaspiro[5.6]dodecane
SMILESFc1ccc(CN2CCCC3(COCCN(c4cnccn4)C3)C2)cc1
InChIInChI=1S/C20H25FN4O/c21-18-4-2-17(3-5-18)13-24-9-1-6-20(14-24)15-25(10-11-26-16-20)19-12-22-7-8-23-19/h2-5,7-8,12H,1,6,9-11,13-16H2
InChIKeyQBYKFGWFJVJUHZ-UHFFFAOYSA-N
XLogP2.73
TPSA41.49 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.44
LogP ≤ 52.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(6R)-2-benzyl-11-pyrazin-2-yl-8-oxa-2,11-diazaspiro[5.6]dodecane
CID 97494806
11-pyrazin-2-yl-2-(pyridin-2-ylmethyl)-8-oxa-2,11-diazaspiro[5.6]dodecane
CID 131659145
(6S)-11-pyrazin-2-yl-2-(thiophen-2-ylmethyl)-8-oxa-2,11-diazaspiro[5.6]dodecane
CID 97494805
11-pyrazin-2-yl-2-(pyridin-3-ylmethyl)-8-oxa-2,11-diazaspiro[5.6]dodecane;2,2,2-trifluoroacetic acid
CID 171697168
2-[(5-methylfuran-2-yl)methyl]-11-pyrazin-2-yl-8-oxa-2,11-diazaspiro[5.6]dodecane
CID 131639945
(5R)-10-[(4-fluorophenyl)methyl]-2-pyridin-2-yl-7-oxa-2,10-diazaspiro[4.6]undecane
CID 97384999
2-benzyl-11-(5-fluoropyrimidin-2-yl)-8-oxa-2,11-diazaspiro[5.6]dodecane
CID 131644251
(6S)-2-benzyl-11-(5-fluoropyrimidin-2-yl)-8-oxa-2,11-diazaspiro[5.6]dodecane
CID 97494863
11-pyrazin-2-yl-2-(thiophen-2-ylmethyl)-8-oxa-2,11-diazaspiro[5.6]dodecane;2,2,2-trifluoroacetic acid
CID 155841525
2-phenyl-11-pyrazin-2-yl-8-oxa-2,11-diazaspiro[5.6]dodecane
CID 134070420
(6R)-11-(3-fluoro-2-pyridinyl)-2-(pyridin-3-ylmethyl)-8-oxa-2,11-diazaspiro[5.6]dodecane
CID 97494732
[(6S)-11-pyrazin-2-yl-8-oxa-2,11-diazaspiro[5.6]dodecan-2-yl]-pyrrolidin-1-ylmethanone
CID 97372938

Frequently Asked Questions

What is the IUPAC name of 2-[(4-fluorophenyl)methyl]-11-pyrazin-2-yl-8-oxa-2,11-diazaspiro[5.6]dodecane?
The IUPAC name of 2-[(4-fluorophenyl)methyl]-11-pyrazin-2-yl-8-oxa-2,11-diazaspiro[5.6]dodecane (CID 131651615) is 2-[(4-fluorophenyl)methyl]-11-pyrazin-2-yl-8-oxa-2,11-diazaspiro[5.6]dodecane.
What is the SMILES notation for 2-[(4-fluorophenyl)methyl]-11-pyrazin-2-yl-8-oxa-2,11-diazaspiro[5.6]dodecane?
The canonical SMILES for 2-[(4-fluorophenyl)methyl]-11-pyrazin-2-yl-8-oxa-2,11-diazaspiro[5.6]dodecane is Fc1ccc(CN2CCCC3(COCCN(c4cnccn4)C3)C2)cc1.
What is the InChIKey of 2-[(4-fluorophenyl)methyl]-11-pyrazin-2-yl-8-oxa-2,11-diazaspiro[5.6]dodecane?
The InChIKey is QBYKFGWFJVJUHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25FN4O/c21-18-4-2-17(3-5-18)13-24-9-1-6-20(14-24)15-25(10-11-26-16-20)19-12-22-7-8-23-19/h2-5,7-8,12H,1,6,9-11,13-16H2.
What are the key properties of 2-[(4-fluorophenyl)methyl]-11-pyrazin-2-yl-8-oxa-2,11-diazaspiro[5.6]dodecane?
2-[(4-fluorophenyl)methyl]-11-pyrazin-2-yl-8-oxa-2,11-diazaspiro[5.6]dodecane has a molecular weight of 356.44 g/mol, XLogP of 2.73, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-fluorophenyl)methyl]-11-pyrazin-2-yl-8-oxa-2,11-diazaspiro[5.6]dodecane is sourced from PubChem (CID 131651615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).