5-[4-(7,7-difluoro-5-azaspiro[2.4]heptan-5-yl)pyrazolo[1,5-a]pyrazin-2-yl]-1H-pyrimidine-2,4-dione

C16H14F2N6O2 — CID 170606786

IUPAC5-[4-(7,7-difluoro-5-azaspiro[2.4]heptan-5-yl)pyrazolo[1,5-a]pyrazin-2-yl]-1H-pyrimidine-2,4-dione
SMILESO=c1[nH]cc(-c2cc3c(N4CC(F)(F)C5(CC5)C4)nccn3n2)c(=O)[nH]1
InChIInChI=1S/C16H14F2N6O2/c17-16(18)8-23(7-15(16)1-2-15)12-11-5-10(22-24(11)4-3-19-12)9-6-20-14(26)21-13(9)25/h3-6H,1-2,7-8H2,(H2,20,21,25,26)
InChIKeyYPCKRTVVATVJSO-UHFFFAOYSA-N
MW360.32 g/mol
LogP1.01
Rot. Bonds2

About 5-[4-(7,7-difluoro-5-azaspiro[2.4]heptan-5-yl)pyrazolo[1,5-a]pyrazin-2-yl]-1H-pyrimidine-2,4-dione

5-[4-(7,7-difluoro-5-azaspiro[2.4]heptan-5-yl)pyrazolo[1,5-a]pyrazin-2-yl]-1H-pyrimidine-2,4-dione (PubChem CID 170606786) has the molecular formula C16H14F2N6O2 and a molecular weight of 360.32 g/mol. Its IUPAC name is 5-[4-(7,7-difluoro-5-azaspiro[2.4]heptan-5-yl)pyrazolo[1,5-a]pyrazin-2-yl]-1H-pyrimidine-2,4-dione.

Molecular Properties

Compound Name5-[4-(7,7-difluoro-5-azaspiro[2.4]heptan-5-yl)pyrazolo[1,5-a]pyrazin-2-yl]-1H-pyrimidine-2,4-dione
PubChem CID170606786
Molecular FormulaC16H14F2N6O2
Molecular Weight360.32 g/mol
Exact Mass360.11
IUPAC Name5-[4-(7,7-difluoro-5-azaspiro[2.4]heptan-5-yl)pyrazolo[1,5-a]pyrazin-2-yl]-1H-pyrimidine-2,4-dione
SMILESO=c1[nH]cc(-c2cc3c(N4CC(F)(F)C5(CC5)C4)nccn3n2)c(=O)[nH]1
InChIInChI=1S/C16H14F2N6O2/c17-16(18)8-23(7-15(16)1-2-15)12-11-5-10(22-24(11)4-3-19-12)9-6-20-14(26)21-13(9)25/h3-6H,1-2,7-8H2,(H2,20,21,25,26)
InChIKeyYPCKRTVVATVJSO-UHFFFAOYSA-N
XLogP1.01
TPSA99.15 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.32
LogP ≤ 51.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 5-[4-(7,7-difluoro-5-azaspiro[2.4]heptan-5-yl)pyrazolo[1,5-a]pyrazin-2-yl]-1H-pyrimidine-2,4-dione with MolForge

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Related Compounds

N-[(2-Fluorophenyl)methyl]-6-methyl-4-(pyrrolidin-1-YL)pyrazolo[1,5-A]pyrazine-2-carboxamide
CID 91891287
N-[(4-Fluorophenyl)methyl]-6-methyl-4-(pyrrolidin-1-YL)pyrazolo[1,5-A]pyrazine-2-carboxamide
CID 91891288
6-Methyl-4-(pyrrolidin-1-YL)-N-{[2-(trifluoromethyl)phenyl]methyl}pyrazolo[1,5-A]pyrazine-2-carboxamide
CID 91891294
6-Methyl-4-(pyrrolidin-1-YL)-N-{[4-(trifluoromethyl)phenyl]methyl}pyrazolo[1,5-A]pyrazine-2-carboxamide
CID 91891295
N-[(2,4-Difluorophenyl)methyl]-6-methyl-4-(pyrrolidin-1-YL)pyrazolo[1,5-A]pyrazine-2-carboxamide
CID 91891289
US20250340565, Example 25.9
CID 170606721
US20250340565, Example 25.7
CID 170606731
US20250340565, Example 25.1
CID 170606733
US20250340565, Example 25
CID 170606821
US20250340565, Example 10.2
CID 170606857
US20250340565, Example 25.6
CID 170606888
US20250340565, Example 25.8
CID 170606893

Frequently Asked Questions

What is the IUPAC name of 5-[4-(7,7-difluoro-5-azaspiro[2.4]heptan-5-yl)pyrazolo[1,5-a]pyrazin-2-yl]-1H-pyrimidine-2,4-dione?
The IUPAC name of 5-[4-(7,7-difluoro-5-azaspiro[2.4]heptan-5-yl)pyrazolo[1,5-a]pyrazin-2-yl]-1H-pyrimidine-2,4-dione (CID 170606786) is 5-[4-(7,7-difluoro-5-azaspiro[2.4]heptan-5-yl)pyrazolo[1,5-a]pyrazin-2-yl]-1H-pyrimidine-2,4-dione.
What is the SMILES notation for 5-[4-(7,7-difluoro-5-azaspiro[2.4]heptan-5-yl)pyrazolo[1,5-a]pyrazin-2-yl]-1H-pyrimidine-2,4-dione?
The canonical SMILES for 5-[4-(7,7-difluoro-5-azaspiro[2.4]heptan-5-yl)pyrazolo[1,5-a]pyrazin-2-yl]-1H-pyrimidine-2,4-dione is O=c1[nH]cc(-c2cc3c(N4CC(F)(F)C5(CC5)C4)nccn3n2)c(=O)[nH]1.
What is the InChIKey of 5-[4-(7,7-difluoro-5-azaspiro[2.4]heptan-5-yl)pyrazolo[1,5-a]pyrazin-2-yl]-1H-pyrimidine-2,4-dione?
The InChIKey is YPCKRTVVATVJSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14F2N6O2/c17-16(18)8-23(7-15(16)1-2-15)12-11-5-10(22-24(11)4-3-19-12)9-6-20-14(26)21-13(9)25/h3-6H,1-2,7-8H2,(H2,20,21,25,26).
What are the key properties of 5-[4-(7,7-difluoro-5-azaspiro[2.4]heptan-5-yl)pyrazolo[1,5-a]pyrazin-2-yl]-1H-pyrimidine-2,4-dione?
5-[4-(7,7-difluoro-5-azaspiro[2.4]heptan-5-yl)pyrazolo[1,5-a]pyrazin-2-yl]-1H-pyrimidine-2,4-dione has a molecular weight of 360.32 g/mol, XLogP of 1.01, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-(7,7-difluoro-5-azaspiro[2.4]heptan-5-yl)pyrazolo[1,5-a]pyrazin-2-yl]-1H-pyrimidine-2,4-dione is sourced from PubChem (CID 170606786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).