1-(4-fluorophenyl)-5-(3-hydroxypropyl)-3-(2-oxa-6-azaspiro[3.3]heptan-6-yl)pyrazin-2-one;methane

C19H24FN3O3 — CID 153363093

IUPAC1-(4-fluorophenyl)-5-(3-hydroxypropyl)-3-(2-oxa-6-azaspiro[3.3]heptan-6-yl)pyrazin-2-one;methane
SMILESC.O=c1c(N2CC3(COC3)C2)nc(CCCO)cn1-c1ccc(F)cc1
InChIInChI=1S/C18H20FN3O3.CH4/c19-13-3-5-15(6-4-13)22-8-14(2-1-7-23)20-16(17(22)24)21-9-18(10-21)11-25-12-18;/h3-6,8,23H,1-2,7,9-12H2;1H4
InChIKeyWIWHNUXSEUTKFW-UHFFFAOYSA-N
MW361.42 g/mol
LogP1.77
Rot. Bonds5

About 1-(4-fluorophenyl)-5-(3-hydroxypropyl)-3-(2-oxa-6-azaspiro[3.3]heptan-6-yl)pyrazin-2-one;methane

1-(4-fluorophenyl)-5-(3-hydroxypropyl)-3-(2-oxa-6-azaspiro[3.3]heptan-6-yl)pyrazin-2-one;methane (PubChem CID 153363093) has the molecular formula C19H24FN3O3 and a molecular weight of 361.42 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-5-(3-hydroxypropyl)-3-(2-oxa-6-azaspiro[3.3]heptan-6-yl)pyrazin-2-one;methane.

Molecular Properties

Compound Name1-(4-fluorophenyl)-5-(3-hydroxypropyl)-3-(2-oxa-6-azaspiro[3.3]heptan-6-yl)pyrazin-2-one;methane
PubChem CID153363093
Molecular FormulaC19H24FN3O3
Molecular Weight361.42 g/mol
Exact Mass361.18
IUPAC Name1-(4-fluorophenyl)-5-(3-hydroxypropyl)-3-(2-oxa-6-azaspiro[3.3]heptan-6-yl)pyrazin-2-one;methane
SMILESC.O=c1c(N2CC3(COC3)C2)nc(CCCO)cn1-c1ccc(F)cc1
InChIInChI=1S/C18H20FN3O3.CH4/c19-13-3-5-15(6-4-13)22-8-14(2-1-7-23)20-16(17(22)24)21-9-18(10-21)11-25-12-18;/h3-6,8,23H,1-2,7,9-12H2;1H4
InChIKeyWIWHNUXSEUTKFW-UHFFFAOYSA-N
XLogP1.77
TPSA67.59 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.42
LogP ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 1-(4-fluorophenyl)-5-(3-hydroxypropyl)-3-(2-oxa-6-azaspiro[3.3]heptan-6-yl)pyrazin-2-one;methane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-5-(3-hydroxypropyl)-3-(2-oxa-6-azaspiro[3.3]heptan-6-yl)pyrazin-2-one;methane?
The IUPAC name of 1-(4-fluorophenyl)-5-(3-hydroxypropyl)-3-(2-oxa-6-azaspiro[3.3]heptan-6-yl)pyrazin-2-one;methane (CID 153363093) is 1-(4-fluorophenyl)-5-(3-hydroxypropyl)-3-(2-oxa-6-azaspiro[3.3]heptan-6-yl)pyrazin-2-one;methane.
What is the SMILES notation for 1-(4-fluorophenyl)-5-(3-hydroxypropyl)-3-(2-oxa-6-azaspiro[3.3]heptan-6-yl)pyrazin-2-one;methane?
The canonical SMILES for 1-(4-fluorophenyl)-5-(3-hydroxypropyl)-3-(2-oxa-6-azaspiro[3.3]heptan-6-yl)pyrazin-2-one;methane is C.O=c1c(N2CC3(COC3)C2)nc(CCCO)cn1-c1ccc(F)cc1.
What is the InChIKey of 1-(4-fluorophenyl)-5-(3-hydroxypropyl)-3-(2-oxa-6-azaspiro[3.3]heptan-6-yl)pyrazin-2-one;methane?
The InChIKey is WIWHNUXSEUTKFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20FN3O3.CH4/c19-13-3-5-15(6-4-13)22-8-14(2-1-7-23)20-16(17(22)24)21-9-18(10-21)11-25-12-18;/h3-6,8,23H,1-2,7,9-12H2;1H4.
What are the key properties of 1-(4-fluorophenyl)-5-(3-hydroxypropyl)-3-(2-oxa-6-azaspiro[3.3]heptan-6-yl)pyrazin-2-one;methane?
1-(4-fluorophenyl)-5-(3-hydroxypropyl)-3-(2-oxa-6-azaspiro[3.3]heptan-6-yl)pyrazin-2-one;methane has a molecular weight of 361.42 g/mol, XLogP of 1.77, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-5-(3-hydroxypropyl)-3-(2-oxa-6-azaspiro[3.3]heptan-6-yl)pyrazin-2-one;methane is sourced from PubChem (CID 153363093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).