4-(3-fluorophenyl)-8-pyrazin-2-yl-1,11-dioxa-4,8-diazaspiro[5.6]dodecan-3-one

C18H19FN4O3 — CID 118740877

IUPAC4-(3-fluorophenyl)-8-pyrazin-2-yl-1,11-dioxa-4,8-diazaspiro[5.6]dodecan-3-one
SMILESO=C1COC2(COCCN(c3cnccn3)C2)CN1c1cccc(F)c1
InChIInChI=1S/C18H19FN4O3/c19-14-2-1-3-15(8-14)23-12-18(26-10-17(23)24)11-22(6-7-25-13-18)16-9-20-4-5-21-16/h1-5,8-9H,6-7,10-13H2
InChIKeyKIXNVUOIBHWNBY-UHFFFAOYSA-N
MW358.37 g/mol
LogP1.25
Rot. Bonds2

About 4-(3-fluorophenyl)-8-pyrazin-2-yl-1,11-dioxa-4,8-diazaspiro[5.6]dodecan-3-one

4-(3-fluorophenyl)-8-pyrazin-2-yl-1,11-dioxa-4,8-diazaspiro[5.6]dodecan-3-one (PubChem CID 118740877) has the molecular formula C18H19FN4O3 and a molecular weight of 358.37 g/mol. Its IUPAC name is 4-(3-fluorophenyl)-8-pyrazin-2-yl-1,11-dioxa-4,8-diazaspiro[5.6]dodecan-3-one.

Molecular Properties

Compound Name4-(3-fluorophenyl)-8-pyrazin-2-yl-1,11-dioxa-4,8-diazaspiro[5.6]dodecan-3-one
PubChem CID118740877
Molecular FormulaC18H19FN4O3
Molecular Weight358.37 g/mol
Exact Mass358.14
IUPAC Name4-(3-fluorophenyl)-8-pyrazin-2-yl-1,11-dioxa-4,8-diazaspiro[5.6]dodecan-3-one
SMILESO=C1COC2(COCCN(c3cnccn3)C2)CN1c1cccc(F)c1
InChIInChI=1S/C18H19FN4O3/c19-14-2-1-3-15(8-14)23-12-18(26-10-17(23)24)11-22(6-7-25-13-18)16-9-20-4-5-21-16/h1-5,8-9H,6-7,10-13H2
InChIKeyKIXNVUOIBHWNBY-UHFFFAOYSA-N
XLogP1.25
TPSA67.79 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.37
LogP ≤ 51.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

1-[4-(2-Fluorophenyl)piperazin-1-yl]-2-[methyl(pyrazin-2-yl)amino]ethanone
CID 56812305
9-[(1-Methylimidazol-2-yl)methyl]-4-phenyl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one
CID 97451065
8-(3-Fluorophenyl)-4-pyrazin-2-yl-1-oxa-4,8-diazaspiro[5.5]undecane
CID 118739212
4-(3-Fluorophenyl)-8-pyrazin-2-yl-1-oxa-4,8-diazaspiro[5.5]undecane
CID 118739217
8-(6-Methyl-2-pyridinyl)-4-pyridin-3-yl-1,11-dioxa-4,8-diazaspiro[5.6]dodecan-3-one
CID 118740699
8-(6-Methyl-2-pyridinyl)-4-pyrimidin-5-yl-1,11-dioxa-4,8-diazaspiro[5.6]dodecan-3-one
CID 118740701
8-(6-Methyl-2-pyridinyl)-4-phenyl-1,11-dioxa-4,8-diazaspiro[5.6]dodecan-3-one
CID 118744339
4-(3-Fluorophenyl)-8-pyridin-2-yl-1,11-dioxa-4,8-diazaspiro[5.6]dodecan-3-one
CID 118744809
9-Pyridin-3-yl-2-[5-(trifluoromethyl)-2-pyridinyl]-6-oxa-2,9-diazaspiro[3.6]decan-8-one
CID 134806066
1-(Azepan-1-yl)-2-{2-oxo-2-[4-(pyridin-2-yl)piperazin-1-yl]ethoxy}ethanone
CID 16468843
4-(3-Fluorophenyl)-8-pyridin-2-yl-1,11-dioxa-4,8-diazaspiro[5.6]dodecan-3-one;2,2,2-trifluoroacetic acid
CID 118744808
tert-butyl 2-[[2-fluoroethyl-[6-(N-(4-fluorophenyl)anilino)pyrazin-2-yl]amino]methoxy]acetate
CID 139402093

Frequently Asked Questions

What is the IUPAC name of 4-(3-fluorophenyl)-8-pyrazin-2-yl-1,11-dioxa-4,8-diazaspiro[5.6]dodecan-3-one?
The IUPAC name of 4-(3-fluorophenyl)-8-pyrazin-2-yl-1,11-dioxa-4,8-diazaspiro[5.6]dodecan-3-one (CID 118740877) is 4-(3-fluorophenyl)-8-pyrazin-2-yl-1,11-dioxa-4,8-diazaspiro[5.6]dodecan-3-one.
What is the SMILES notation for 4-(3-fluorophenyl)-8-pyrazin-2-yl-1,11-dioxa-4,8-diazaspiro[5.6]dodecan-3-one?
The canonical SMILES for 4-(3-fluorophenyl)-8-pyrazin-2-yl-1,11-dioxa-4,8-diazaspiro[5.6]dodecan-3-one is O=C1COC2(COCCN(c3cnccn3)C2)CN1c1cccc(F)c1.
What is the InChIKey of 4-(3-fluorophenyl)-8-pyrazin-2-yl-1,11-dioxa-4,8-diazaspiro[5.6]dodecan-3-one?
The InChIKey is KIXNVUOIBHWNBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19FN4O3/c19-14-2-1-3-15(8-14)23-12-18(26-10-17(23)24)11-22(6-7-25-13-18)16-9-20-4-5-21-16/h1-5,8-9H,6-7,10-13H2.
What are the key properties of 4-(3-fluorophenyl)-8-pyrazin-2-yl-1,11-dioxa-4,8-diazaspiro[5.6]dodecan-3-one?
4-(3-fluorophenyl)-8-pyrazin-2-yl-1,11-dioxa-4,8-diazaspiro[5.6]dodecan-3-one has a molecular weight of 358.37 g/mol, XLogP of 1.25, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-fluorophenyl)-8-pyrazin-2-yl-1,11-dioxa-4,8-diazaspiro[5.6]dodecan-3-one is sourced from PubChem (CID 118740877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).