1,4-dioxa-8-azaspiro[4.5]decan-8-yl-[1-(2-fluorophenyl)-4-hydroxypyrazol-3-yl]methanone

C17H18FN3O4 — CID 71933320

IUPAC1,4-dioxa-8-azaspiro[4.5]decan-8-yl-[1-(2-fluorophenyl)-4-hydroxypyrazol-3-yl]methanone
SMILESO=C(c1nn(-c2ccccc2F)cc1O)N1CCC2(CC1)OCCO2
InChIInChI=1S/C17H18FN3O4/c18-12-3-1-2-4-13(12)21-11-14(22)15(19-21)16(23)20-7-5-17(6-8-20)24-9-10-25-17/h1-4,11,22H,5-10H2
InChIKeyKWQLOBWFNSATQJ-UHFFFAOYSA-N
MW347.35 g/mol
LogP1.70
Rot. Bonds2

About 1,4-dioxa-8-azaspiro[4.5]decan-8-yl-[1-(2-fluorophenyl)-4-hydroxypyrazol-3-yl]methanone

1,4-dioxa-8-azaspiro[4.5]decan-8-yl-[1-(2-fluorophenyl)-4-hydroxypyrazol-3-yl]methanone (PubChem CID 71933320) has the molecular formula C17H18FN3O4 and a molecular weight of 347.35 g/mol. Its IUPAC name is 1,4-dioxa-8-azaspiro[4.5]decan-8-yl-[1-(2-fluorophenyl)-4-hydroxypyrazol-3-yl]methanone.

Molecular Properties

Compound Name1,4-dioxa-8-azaspiro[4.5]decan-8-yl-[1-(2-fluorophenyl)-4-hydroxypyrazol-3-yl]methanone
PubChem CID71933320
Molecular FormulaC17H18FN3O4
Molecular Weight347.35 g/mol
Exact Mass347.13
IUPAC Name1,4-dioxa-8-azaspiro[4.5]decan-8-yl-[1-(2-fluorophenyl)-4-hydroxypyrazol-3-yl]methanone
SMILESO=C(c1nn(-c2ccccc2F)cc1O)N1CCC2(CC1)OCCO2
InChIInChI=1S/C17H18FN3O4/c18-12-3-1-2-4-13(12)21-11-14(22)15(19-21)16(23)20-7-5-17(6-8-20)24-9-10-25-17/h1-4,11,22H,5-10H2
InChIKeyKWQLOBWFNSATQJ-UHFFFAOYSA-N
XLogP1.70
TPSA76.82 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.35
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 1,4-dioxa-8-azaspiro[4.5]decan-8-yl-[1-(2-fluorophenyl)-4-hydroxypyrazol-3-yl]methanone 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-dioxa-8-azaspiro[4.5]decan-8-yl-[1-(2-fluorophenyl)-4-hydroxypyrazol-3-yl]methanone?
The IUPAC name of 1,4-dioxa-8-azaspiro[4.5]decan-8-yl-[1-(2-fluorophenyl)-4-hydroxypyrazol-3-yl]methanone (CID 71933320) is 1,4-dioxa-8-azaspiro[4.5]decan-8-yl-[1-(2-fluorophenyl)-4-hydroxypyrazol-3-yl]methanone.
What is the SMILES notation for 1,4-dioxa-8-azaspiro[4.5]decan-8-yl-[1-(2-fluorophenyl)-4-hydroxypyrazol-3-yl]methanone?
The canonical SMILES for 1,4-dioxa-8-azaspiro[4.5]decan-8-yl-[1-(2-fluorophenyl)-4-hydroxypyrazol-3-yl]methanone is O=C(c1nn(-c2ccccc2F)cc1O)N1CCC2(CC1)OCCO2.
What is the InChIKey of 1,4-dioxa-8-azaspiro[4.5]decan-8-yl-[1-(2-fluorophenyl)-4-hydroxypyrazol-3-yl]methanone?
The InChIKey is KWQLOBWFNSATQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18FN3O4/c18-12-3-1-2-4-13(12)21-11-14(22)15(19-21)16(23)20-7-5-17(6-8-20)24-9-10-25-17/h1-4,11,22H,5-10H2.
What are the key properties of 1,4-dioxa-8-azaspiro[4.5]decan-8-yl-[1-(2-fluorophenyl)-4-hydroxypyrazol-3-yl]methanone?
1,4-dioxa-8-azaspiro[4.5]decan-8-yl-[1-(2-fluorophenyl)-4-hydroxypyrazol-3-yl]methanone has a molecular weight of 347.35 g/mol, XLogP of 1.70, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-dioxa-8-azaspiro[4.5]decan-8-yl-[1-(2-fluorophenyl)-4-hydroxypyrazol-3-yl]methanone is sourced from PubChem (CID 71933320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).