2-[2-[4-[5-(4-fluorophenyl)pyrimidin-2-yl]oxyphenyl]pyrimidin-4-yl]-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-4-one

C26H18FN7O2 — CID 59722950

IUPAC2-[2-[4-[5-(4-fluorophenyl)pyrimidin-2-yl]oxyphenyl]pyrimidin-4-yl]-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-4-one
SMILESO=C1NCCn2nc(-c3ccnc(-c4ccc(Oc5ncc(-c6ccc(F)cc6)cn5)cc4)n3)cc21
InChIInChI=1S/C26H18FN7O2/c27-19-5-1-16(2-6-19)18-14-30-26(31-15-18)36-20-7-3-17(4-8-20)24-28-10-9-21(32-24)22-13-23-25(35)29-11-12-34(23)33-22/h1-10,13-15H,11-12H2,(H,29,35)
InChIKeyFMHQBONHVJCMTN-UHFFFAOYSA-N
MW479.48 g/mol
LogP4.14
Rot. Bonds5

About 2-[2-[4-[5-(4-fluorophenyl)pyrimidin-2-yl]oxyphenyl]pyrimidin-4-yl]-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-4-one

2-[2-[4-[5-(4-fluorophenyl)pyrimidin-2-yl]oxyphenyl]pyrimidin-4-yl]-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-4-one (PubChem CID 59722950) has the molecular formula C26H18FN7O2 and a molecular weight of 479.48 g/mol. Its IUPAC name is 2-[2-[4-[5-(4-fluorophenyl)pyrimidin-2-yl]oxyphenyl]pyrimidin-4-yl]-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-4-one.

Molecular Properties

Compound Name2-[2-[4-[5-(4-fluorophenyl)pyrimidin-2-yl]oxyphenyl]pyrimidin-4-yl]-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-4-one
PubChem CID59722950
Molecular FormulaC26H18FN7O2
Molecular Weight479.48 g/mol
Exact Mass479.15
IUPAC Name2-[2-[4-[5-(4-fluorophenyl)pyrimidin-2-yl]oxyphenyl]pyrimidin-4-yl]-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-4-one
SMILESO=C1NCCn2nc(-c3ccnc(-c4ccc(Oc5ncc(-c6ccc(F)cc6)cn5)cc4)n3)cc21
InChIInChI=1S/C26H18FN7O2/c27-19-5-1-16(2-6-19)18-14-30-26(31-15-18)36-20-7-3-17(4-8-20)24-28-10-9-21(32-24)22-13-23-25(35)29-11-12-34(23)33-22/h1-10,13-15H,11-12H2,(H,29,35)
InChIKeyFMHQBONHVJCMTN-UHFFFAOYSA-N
XLogP4.14
TPSA107.71 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500479.48
LogP ≤ 54.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 2-[2-[4-[5-(4-fluorophenyl)pyrimidin-2-yl]oxyphenyl]pyrimidin-4-yl]-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-4-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-[2-[4-[5-(4-fluorophenyl)pyrimidin-2-yl]oxyphenyl]pyrimidin-4-yl]-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-4-one?
The IUPAC name of 2-[2-[4-[5-(4-fluorophenyl)pyrimidin-2-yl]oxyphenyl]pyrimidin-4-yl]-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-4-one (CID 59722950) is 2-[2-[4-[5-(4-fluorophenyl)pyrimidin-2-yl]oxyphenyl]pyrimidin-4-yl]-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-4-one.
What is the SMILES notation for 2-[2-[4-[5-(4-fluorophenyl)pyrimidin-2-yl]oxyphenyl]pyrimidin-4-yl]-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-4-one?
The canonical SMILES for 2-[2-[4-[5-(4-fluorophenyl)pyrimidin-2-yl]oxyphenyl]pyrimidin-4-yl]-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-4-one is O=C1NCCn2nc(-c3ccnc(-c4ccc(Oc5ncc(-c6ccc(F)cc6)cn5)cc4)n3)cc21.
What is the InChIKey of 2-[2-[4-[5-(4-fluorophenyl)pyrimidin-2-yl]oxyphenyl]pyrimidin-4-yl]-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-4-one?
The InChIKey is FMHQBONHVJCMTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H18FN7O2/c27-19-5-1-16(2-6-19)18-14-30-26(31-15-18)36-20-7-3-17(4-8-20)24-28-10-9-21(32-24)22-13-23-25(35)29-11-12-34(23)33-22/h1-10,13-15H,11-12H2,(H,29,35).
What are the key properties of 2-[2-[4-[5-(4-fluorophenyl)pyrimidin-2-yl]oxyphenyl]pyrimidin-4-yl]-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-4-one?
2-[2-[4-[5-(4-fluorophenyl)pyrimidin-2-yl]oxyphenyl]pyrimidin-4-yl]-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-4-one has a molecular weight of 479.48 g/mol, XLogP of 4.14, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[4-[5-(4-fluorophenyl)pyrimidin-2-yl]oxyphenyl]pyrimidin-4-yl]-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-4-one is sourced from PubChem (CID 59722950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).