5-[7-chloro-4-(7,7-difluoro-5-azaspiro[2.4]heptan-5-yl)pyrazolo[4,3-c]pyridin-2-yl]-1H-pyrimidine-2,4-dione

C16H13ClF2N6O2 — CID 170606815

IUPAC5-[7-chloro-4-(7,7-difluoro-5-azaspiro[2.4]heptan-5-yl)pyrazolo[4,3-c]pyridin-2-yl]-1H-pyrimidine-2,4-dione
SMILESO=c1[nH]cc(-n2cc3c(N4CC(F)(F)C5(CC5)C4)ncc(Cl)c3n2)c(=O)[nH]1
InChIInChI=1S/C16H13ClF2N6O2/c17-9-3-20-12(24-6-15(1-2-15)16(18,19)7-24)8-5-25(23-11(8)9)10-4-21-14(27)22-13(10)26/h3-5H,1-2,6-7H2,(H2,21,22,26,27)
InChIKeyHWZKFTNPLPFQEW-UHFFFAOYSA-N
MW394.77 g/mol
LogP1.69
Rot. Bonds2

About 5-[7-chloro-4-(7,7-difluoro-5-azaspiro[2.4]heptan-5-yl)pyrazolo[4,3-c]pyridin-2-yl]-1H-pyrimidine-2,4-dione

5-[7-chloro-4-(7,7-difluoro-5-azaspiro[2.4]heptan-5-yl)pyrazolo[4,3-c]pyridin-2-yl]-1H-pyrimidine-2,4-dione (PubChem CID 170606815) has the molecular formula C16H13ClF2N6O2 and a molecular weight of 394.77 g/mol. Its IUPAC name is 5-[7-chloro-4-(7,7-difluoro-5-azaspiro[2.4]heptan-5-yl)pyrazolo[4,3-c]pyridin-2-yl]-1H-pyrimidine-2,4-dione.

Molecular Properties

Compound Name5-[7-chloro-4-(7,7-difluoro-5-azaspiro[2.4]heptan-5-yl)pyrazolo[4,3-c]pyridin-2-yl]-1H-pyrimidine-2,4-dione
PubChem CID170606815
Molecular FormulaC16H13ClF2N6O2
Molecular Weight394.77 g/mol
Exact Mass394.08
IUPAC Name5-[7-chloro-4-(7,7-difluoro-5-azaspiro[2.4]heptan-5-yl)pyrazolo[4,3-c]pyridin-2-yl]-1H-pyrimidine-2,4-dione
SMILESO=c1[nH]cc(-n2cc3c(N4CC(F)(F)C5(CC5)C4)ncc(Cl)c3n2)c(=O)[nH]1
InChIInChI=1S/C16H13ClF2N6O2/c17-9-3-20-12(24-6-15(1-2-15)16(18,19)7-24)8-5-25(23-11(8)9)10-4-21-14(27)22-13(10)26/h3-5H,1-2,6-7H2,(H2,21,22,26,27)
InChIKeyHWZKFTNPLPFQEW-UHFFFAOYSA-N
XLogP1.69
TPSA99.67 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.77
LogP ≤ 51.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 5-[7-chloro-4-(7,7-difluoro-5-azaspiro[2.4]heptan-5-yl)pyrazolo[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 30
CID 170606713
US20250340565, Example 28.2
CID 170606735
US20250340565, Example 29
CID 170606781
US20250340565, Example 26.2
CID 170606803
US20250340565, Example 26.4
CID 170606812
US20250340565, Example 27
CID 170606918
US20250340565, Example 26
CID 170606919
US20250340565, Example 26.5
CID 170606928
US20250340565, Example 26.1
CID 170606929
5-[7-chloro-4-(3,3-difluoro-4,4-dimethylpyrrolidin-1-yl)pyrazolo[4,3-c]pyridin-2-yl]-1H-pyrimidine-2,4-dione
CID 170606875
1-[4-(3,3-Difluoro-4,4-dimethylpyrrolidin-1-yl)pyrazolo[4,3-c]pyridin-2-yl]pyrimidine-2,4-dione
CID 176226376

Frequently Asked Questions

What is the IUPAC name of 5-[7-chloro-4-(7,7-difluoro-5-azaspiro[2.4]heptan-5-yl)pyrazolo[4,3-c]pyridin-2-yl]-1H-pyrimidine-2,4-dione?
The IUPAC name of 5-[7-chloro-4-(7,7-difluoro-5-azaspiro[2.4]heptan-5-yl)pyrazolo[4,3-c]pyridin-2-yl]-1H-pyrimidine-2,4-dione (CID 170606815) is 5-[7-chloro-4-(7,7-difluoro-5-azaspiro[2.4]heptan-5-yl)pyrazolo[4,3-c]pyridin-2-yl]-1H-pyrimidine-2,4-dione.
What is the SMILES notation for 5-[7-chloro-4-(7,7-difluoro-5-azaspiro[2.4]heptan-5-yl)pyrazolo[4,3-c]pyridin-2-yl]-1H-pyrimidine-2,4-dione?
The canonical SMILES for 5-[7-chloro-4-(7,7-difluoro-5-azaspiro[2.4]heptan-5-yl)pyrazolo[4,3-c]pyridin-2-yl]-1H-pyrimidine-2,4-dione is O=c1[nH]cc(-n2cc3c(N4CC(F)(F)C5(CC5)C4)ncc(Cl)c3n2)c(=O)[nH]1.
What is the InChIKey of 5-[7-chloro-4-(7,7-difluoro-5-azaspiro[2.4]heptan-5-yl)pyrazolo[4,3-c]pyridin-2-yl]-1H-pyrimidine-2,4-dione?
The InChIKey is HWZKFTNPLPFQEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13ClF2N6O2/c17-9-3-20-12(24-6-15(1-2-15)16(18,19)7-24)8-5-25(23-11(8)9)10-4-21-14(27)22-13(10)26/h3-5H,1-2,6-7H2,(H2,21,22,26,27).
What are the key properties of 5-[7-chloro-4-(7,7-difluoro-5-azaspiro[2.4]heptan-5-yl)pyrazolo[4,3-c]pyridin-2-yl]-1H-pyrimidine-2,4-dione?
5-[7-chloro-4-(7,7-difluoro-5-azaspiro[2.4]heptan-5-yl)pyrazolo[4,3-c]pyridin-2-yl]-1H-pyrimidine-2,4-dione has a molecular weight of 394.77 g/mol, XLogP of 1.69, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[7-chloro-4-(7,7-difluoro-5-azaspiro[2.4]heptan-5-yl)pyrazolo[4,3-c]pyridin-2-yl]-1H-pyrimidine-2,4-dione is sourced from PubChem (CID 170606815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).