5-[4-(8,8-difluoro-6-azaspiro[3.4]octan-6-yl)-7-fluoropyrazolo[4,3-c]pyridin-2-yl]-1H-pyrimidine-2,4-dione

C17H15F3N6O2 — CID 170606929

IUPAC5-[4-(8,8-difluoro-6-azaspiro[3.4]octan-6-yl)-7-fluoropyrazolo[4,3-c]pyridin-2-yl]-1H-pyrimidine-2,4-dione
SMILESO=c1[nH]cc(-n2cc3c(N4CC(F)(F)C5(CCC5)C4)ncc(F)c3n2)c(=O)[nH]1
InChIInChI=1S/C17H15F3N6O2/c18-10-4-21-13(25-7-16(2-1-3-16)17(19,20)8-25)9-6-26(24-12(9)10)11-5-22-15(28)23-14(11)27/h4-6H,1-3,7-8H2,(H2,22,23,27,28)
InChIKeyHCCNJQSMDYWAHW-UHFFFAOYSA-N
MW392.34 g/mol
LogP1.56
Rot. Bonds2

About 5-[4-(8,8-difluoro-6-azaspiro[3.4]octan-6-yl)-7-fluoropyrazolo[4,3-c]pyridin-2-yl]-1H-pyrimidine-2,4-dione

5-[4-(8,8-difluoro-6-azaspiro[3.4]octan-6-yl)-7-fluoropyrazolo[4,3-c]pyridin-2-yl]-1H-pyrimidine-2,4-dione (PubChem CID 170606929) has the molecular formula C17H15F3N6O2 and a molecular weight of 392.34 g/mol. Its IUPAC name is 5-[4-(8,8-difluoro-6-azaspiro[3.4]octan-6-yl)-7-fluoropyrazolo[4,3-c]pyridin-2-yl]-1H-pyrimidine-2,4-dione.

Molecular Properties

Compound Name5-[4-(8,8-difluoro-6-azaspiro[3.4]octan-6-yl)-7-fluoropyrazolo[4,3-c]pyridin-2-yl]-1H-pyrimidine-2,4-dione
PubChem CID170606929
Molecular FormulaC17H15F3N6O2
Molecular Weight392.34 g/mol
Exact Mass392.12
IUPAC Name5-[4-(8,8-difluoro-6-azaspiro[3.4]octan-6-yl)-7-fluoropyrazolo[4,3-c]pyridin-2-yl]-1H-pyrimidine-2,4-dione
SMILESO=c1[nH]cc(-n2cc3c(N4CC(F)(F)C5(CCC5)C4)ncc(F)c3n2)c(=O)[nH]1
InChIInChI=1S/C17H15F3N6O2/c18-10-4-21-13(25-7-16(2-1-3-16)17(19,20)8-25)9-6-26(24-12(9)10)11-5-22-15(28)23-14(11)27/h4-6H,1-3,7-8H2,(H2,22,23,27,28)
InChIKeyHCCNJQSMDYWAHW-UHFFFAOYSA-N
XLogP1.56
TPSA99.67 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.34
LogP ≤ 51.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 5-[4-(8,8-difluoro-6-azaspiro[3.4]octan-6-yl)-7-fluoropyrazolo[4,3-c]pyridin-2-yl]-1H-pyrimidine-2,4-dione with MolForge

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Related Compounds

US20250340565, Example 26.3
CID 170606655
US20250340565, Example 31
CID 170606702
US20250340565, Example 30
CID 170606713
US20250340565, Example 25.1
CID 170606733
US20250340565, Example 28.2
CID 170606735
US20250340565, Example 29
CID 170606781
US20250340565, Example 25.2
CID 170606786
US20250340565, Example 26.2
CID 170606803
US20250340565, Example 26.4
CID 170606812
US20250340565, Example 28.1
CID 170606815
US20250340565, Example 27
CID 170606918
US20250340565, Example 26
CID 170606919

Frequently Asked Questions

What is the IUPAC name of 5-[4-(8,8-difluoro-6-azaspiro[3.4]octan-6-yl)-7-fluoropyrazolo[4,3-c]pyridin-2-yl]-1H-pyrimidine-2,4-dione?
The IUPAC name of 5-[4-(8,8-difluoro-6-azaspiro[3.4]octan-6-yl)-7-fluoropyrazolo[4,3-c]pyridin-2-yl]-1H-pyrimidine-2,4-dione (CID 170606929) is 5-[4-(8,8-difluoro-6-azaspiro[3.4]octan-6-yl)-7-fluoropyrazolo[4,3-c]pyridin-2-yl]-1H-pyrimidine-2,4-dione.
What is the SMILES notation for 5-[4-(8,8-difluoro-6-azaspiro[3.4]octan-6-yl)-7-fluoropyrazolo[4,3-c]pyridin-2-yl]-1H-pyrimidine-2,4-dione?
The canonical SMILES for 5-[4-(8,8-difluoro-6-azaspiro[3.4]octan-6-yl)-7-fluoropyrazolo[4,3-c]pyridin-2-yl]-1H-pyrimidine-2,4-dione is O=c1[nH]cc(-n2cc3c(N4CC(F)(F)C5(CCC5)C4)ncc(F)c3n2)c(=O)[nH]1.
What is the InChIKey of 5-[4-(8,8-difluoro-6-azaspiro[3.4]octan-6-yl)-7-fluoropyrazolo[4,3-c]pyridin-2-yl]-1H-pyrimidine-2,4-dione?
The InChIKey is HCCNJQSMDYWAHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15F3N6O2/c18-10-4-21-13(25-7-16(2-1-3-16)17(19,20)8-25)9-6-26(24-12(9)10)11-5-22-15(28)23-14(11)27/h4-6H,1-3,7-8H2,(H2,22,23,27,28).
What are the key properties of 5-[4-(8,8-difluoro-6-azaspiro[3.4]octan-6-yl)-7-fluoropyrazolo[4,3-c]pyridin-2-yl]-1H-pyrimidine-2,4-dione?
5-[4-(8,8-difluoro-6-azaspiro[3.4]octan-6-yl)-7-fluoropyrazolo[4,3-c]pyridin-2-yl]-1H-pyrimidine-2,4-dione has a molecular weight of 392.34 g/mol, XLogP of 1.56, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-(8,8-difluoro-6-azaspiro[3.4]octan-6-yl)-7-fluoropyrazolo[4,3-c]pyridin-2-yl]-1H-pyrimidine-2,4-dione is sourced from PubChem (CID 170606929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).