2'-(4-fluorophenyl)-1'-(2-phenoxypyrimidin-4-yl)spiro[1,3-dioxolane-2,6'-5,7-dihydropyrazolo[1,2-a]pyrazole]-3'-one

C24H19FN4O4 — CID 10225585

IUPAC2'-(4-fluorophenyl)-1'-(2-phenoxypyrimidin-4-yl)spiro[1,3-dioxolane-2,6'-5,7-dihydropyrazolo[1,2-a]pyrazole]-3'-one
SMILESO=c1c(-c2ccc(F)cc2)c(-c2ccnc(Oc3ccccc3)n2)n2n1CC1(C2)OCCO1
InChIInChI=1S/C24H19FN4O4/c25-17-8-6-16(7-9-17)20-21(28-14-24(31-12-13-32-24)15-29(28)22(20)30)19-10-11-26-23(27-19)33-18-4-2-1-3-5-18/h1-11H,12-15H2
InChIKeyGPCZCZODTWUJMC-UHFFFAOYSA-N
MW446.44 g/mol
LogP3.46
Rot. Bonds4

About 2'-(4-fluorophenyl)-1'-(2-phenoxypyrimidin-4-yl)spiro[1,3-dioxolane-2,6'-5,7-dihydropyrazolo[1,2-a]pyrazole]-3'-one

2'-(4-fluorophenyl)-1'-(2-phenoxypyrimidin-4-yl)spiro[1,3-dioxolane-2,6'-5,7-dihydropyrazolo[1,2-a]pyrazole]-3'-one (PubChem CID 10225585) has the molecular formula C24H19FN4O4 and a molecular weight of 446.44 g/mol. Its IUPAC name is 2'-(4-fluorophenyl)-1'-(2-phenoxypyrimidin-4-yl)spiro[1,3-dioxolane-2,6'-5,7-dihydropyrazolo[1,2-a]pyrazole]-3'-one.

Molecular Properties

Compound Name2'-(4-fluorophenyl)-1'-(2-phenoxypyrimidin-4-yl)spiro[1,3-dioxolane-2,6'-5,7-dihydropyrazolo[1,2-a]pyrazole]-3'-one
PubChem CID10225585
Molecular FormulaC24H19FN4O4
Molecular Weight446.44 g/mol
Exact Mass446.14
IUPAC Name2'-(4-fluorophenyl)-1'-(2-phenoxypyrimidin-4-yl)spiro[1,3-dioxolane-2,6'-5,7-dihydropyrazolo[1,2-a]pyrazole]-3'-one
SMILESO=c1c(-c2ccc(F)cc2)c(-c2ccnc(Oc3ccccc3)n2)n2n1CC1(C2)OCCO1
InChIInChI=1S/C24H19FN4O4/c25-17-8-6-16(7-9-17)20-21(28-14-24(31-12-13-32-24)15-29(28)22(20)30)19-10-11-26-23(27-19)33-18-4-2-1-3-5-18/h1-11H,12-15H2
InChIKeyGPCZCZODTWUJMC-UHFFFAOYSA-N
XLogP3.46
TPSA80.40 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.44
LogP ≤ 53.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 2'-(4-fluorophenyl)-1'-(2-phenoxypyrimidin-4-yl)spiro[1,3-dioxolane-2,6'-5,7-dihydropyrazolo[1,2-a]pyrazole]-3'-one 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 2'-(4-fluorophenyl)-1'-(2-phenoxypyrimidin-4-yl)spiro[1,3-dioxolane-2,6'-5,7-dihydropyrazolo[1,2-a]pyrazole]-3'-one?
The IUPAC name of 2'-(4-fluorophenyl)-1'-(2-phenoxypyrimidin-4-yl)spiro[1,3-dioxolane-2,6'-5,7-dihydropyrazolo[1,2-a]pyrazole]-3'-one (CID 10225585) is 2'-(4-fluorophenyl)-1'-(2-phenoxypyrimidin-4-yl)spiro[1,3-dioxolane-2,6'-5,7-dihydropyrazolo[1,2-a]pyrazole]-3'-one.
What is the SMILES notation for 2'-(4-fluorophenyl)-1'-(2-phenoxypyrimidin-4-yl)spiro[1,3-dioxolane-2,6'-5,7-dihydropyrazolo[1,2-a]pyrazole]-3'-one?
The canonical SMILES for 2'-(4-fluorophenyl)-1'-(2-phenoxypyrimidin-4-yl)spiro[1,3-dioxolane-2,6'-5,7-dihydropyrazolo[1,2-a]pyrazole]-3'-one is O=c1c(-c2ccc(F)cc2)c(-c2ccnc(Oc3ccccc3)n2)n2n1CC1(C2)OCCO1.
What is the InChIKey of 2'-(4-fluorophenyl)-1'-(2-phenoxypyrimidin-4-yl)spiro[1,3-dioxolane-2,6'-5,7-dihydropyrazolo[1,2-a]pyrazole]-3'-one?
The InChIKey is GPCZCZODTWUJMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19FN4O4/c25-17-8-6-16(7-9-17)20-21(28-14-24(31-12-13-32-24)15-29(28)22(20)30)19-10-11-26-23(27-19)33-18-4-2-1-3-5-18/h1-11H,12-15H2.
What are the key properties of 2'-(4-fluorophenyl)-1'-(2-phenoxypyrimidin-4-yl)spiro[1,3-dioxolane-2,6'-5,7-dihydropyrazolo[1,2-a]pyrazole]-3'-one?
2'-(4-fluorophenyl)-1'-(2-phenoxypyrimidin-4-yl)spiro[1,3-dioxolane-2,6'-5,7-dihydropyrazolo[1,2-a]pyrazole]-3'-one has a molecular weight of 446.44 g/mol, XLogP of 3.46, 4 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2'-(4-fluorophenyl)-1'-(2-phenoxypyrimidin-4-yl)spiro[1,3-dioxolane-2,6'-5,7-dihydropyrazolo[1,2-a]pyrazole]-3'-one is sourced from PubChem (CID 10225585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).