5-[4-(3,3-difluoro-4,4-dimethylpyrrolidin-1-yl)pyrazolo[3,4-d]pyrimidin-2-yl]-1H-pyrimidine-2,4-dione

C15H15F2N7O2 — CID 170606911

IUPAC5-[4-(3,3-difluoro-4,4-dimethylpyrrolidin-1-yl)pyrazolo[3,4-d]pyrimidin-2-yl]-1H-pyrimidine-2,4-dione
SMILESCC1(C)CN(c2ncnc3nn(-c4c[nH]c(=O)[nH]c4=O)cc23)CC1(F)F
InChIInChI=1S/C15H15F2N7O2/c1-14(2)5-23(6-15(14,16)17)11-8-4-24(22-10(8)19-7-20-11)9-3-18-13(26)21-12(9)25/h3-4,7H,5-6H2,1-2H3,(H2,18,21,25,26)
InChIKeyPJSZZAAISFAKQH-UHFFFAOYSA-N
MW363.33 g/mol
LogP0.67
Rot. Bonds2

About 5-[4-(3,3-difluoro-4,4-dimethylpyrrolidin-1-yl)pyrazolo[3,4-d]pyrimidin-2-yl]-1H-pyrimidine-2,4-dione

5-[4-(3,3-difluoro-4,4-dimethylpyrrolidin-1-yl)pyrazolo[3,4-d]pyrimidin-2-yl]-1H-pyrimidine-2,4-dione (PubChem CID 170606911) has the molecular formula C15H15F2N7O2 and a molecular weight of 363.33 g/mol. Its IUPAC name is 5-[4-(3,3-difluoro-4,4-dimethylpyrrolidin-1-yl)pyrazolo[3,4-d]pyrimidin-2-yl]-1H-pyrimidine-2,4-dione.

Molecular Properties

Compound Name5-[4-(3,3-difluoro-4,4-dimethylpyrrolidin-1-yl)pyrazolo[3,4-d]pyrimidin-2-yl]-1H-pyrimidine-2,4-dione
PubChem CID170606911
Molecular FormulaC15H15F2N7O2
Molecular Weight363.33 g/mol
Exact Mass363.13
IUPAC Name5-[4-(3,3-difluoro-4,4-dimethylpyrrolidin-1-yl)pyrazolo[3,4-d]pyrimidin-2-yl]-1H-pyrimidine-2,4-dione
SMILESCC1(C)CN(c2ncnc3nn(-c4c[nH]c(=O)[nH]c4=O)cc23)CC1(F)F
InChIInChI=1S/C15H15F2N7O2/c1-14(2)5-23(6-15(14,16)17)11-8-4-24(22-10(8)19-7-20-11)9-3-18-13(26)21-12(9)25/h3-4,7H,5-6H2,1-2H3,(H2,18,21,25,26)
InChIKeyPJSZZAAISFAKQH-UHFFFAOYSA-N
XLogP0.67
TPSA112.56 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.33
LogP ≤ 50.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 5-[4-(3,3-difluoro-4,4-dimethylpyrrolidin-1-yl)pyrazolo[3,4-d]pyrimidin-2-yl]-1H-pyrimidine-2,4-dione 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 5-[4-(3,3-difluoro-4,4-dimethylpyrrolidin-1-yl)pyrazolo[3,4-d]pyrimidin-2-yl]-1H-pyrimidine-2,4-dione?
The IUPAC name of 5-[4-(3,3-difluoro-4,4-dimethylpyrrolidin-1-yl)pyrazolo[3,4-d]pyrimidin-2-yl]-1H-pyrimidine-2,4-dione (CID 170606911) is 5-[4-(3,3-difluoro-4,4-dimethylpyrrolidin-1-yl)pyrazolo[3,4-d]pyrimidin-2-yl]-1H-pyrimidine-2,4-dione.
What is the SMILES notation for 5-[4-(3,3-difluoro-4,4-dimethylpyrrolidin-1-yl)pyrazolo[3,4-d]pyrimidin-2-yl]-1H-pyrimidine-2,4-dione?
The canonical SMILES for 5-[4-(3,3-difluoro-4,4-dimethylpyrrolidin-1-yl)pyrazolo[3,4-d]pyrimidin-2-yl]-1H-pyrimidine-2,4-dione is CC1(C)CN(c2ncnc3nn(-c4c[nH]c(=O)[nH]c4=O)cc23)CC1(F)F.
What is the InChIKey of 5-[4-(3,3-difluoro-4,4-dimethylpyrrolidin-1-yl)pyrazolo[3,4-d]pyrimidin-2-yl]-1H-pyrimidine-2,4-dione?
The InChIKey is PJSZZAAISFAKQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15F2N7O2/c1-14(2)5-23(6-15(14,16)17)11-8-4-24(22-10(8)19-7-20-11)9-3-18-13(26)21-12(9)25/h3-4,7H,5-6H2,1-2H3,(H2,18,21,25,26).
What are the key properties of 5-[4-(3,3-difluoro-4,4-dimethylpyrrolidin-1-yl)pyrazolo[3,4-d]pyrimidin-2-yl]-1H-pyrimidine-2,4-dione?
5-[4-(3,3-difluoro-4,4-dimethylpyrrolidin-1-yl)pyrazolo[3,4-d]pyrimidin-2-yl]-1H-pyrimidine-2,4-dione has a molecular weight of 363.33 g/mol, XLogP of 0.67, 2 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-(3,3-difluoro-4,4-dimethylpyrrolidin-1-yl)pyrazolo[3,4-d]pyrimidin-2-yl]-1H-pyrimidine-2,4-dione is sourced from PubChem (CID 170606911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).