5-[7-chloro-4-(3,3-difluoro-4,4-dimethylpyrrolidin-1-yl)pyrazolo[1,5-a]pyrazin-2-yl]-1H-pyrimidine-2,4-dione

C16H15ClF2N6O2 — CID 170606893

IUPAC5-[7-chloro-4-(3,3-difluoro-4,4-dimethylpyrrolidin-1-yl)pyrazolo[1,5-a]pyrazin-2-yl]-1H-pyrimidine-2,4-dione
SMILESCC1(C)CN(c2ncc(Cl)n3nc(-c4c[nH]c(=O)[nH]c4=O)cc23)CC1(F)F
InChIInChI=1S/C16H15ClF2N6O2/c1-15(2)6-24(7-16(15,18)19)12-10-3-9(23-25(10)11(17)5-20-12)8-4-21-14(27)22-13(8)26/h3-5H,6-7H2,1-2H3,(H2,21,22,26,27)
InChIKeyAHKFFOJSOMDMAQ-UHFFFAOYSA-N
MW396.79 g/mol
LogP1.91
Rot. Bonds2

About 5-[7-chloro-4-(3,3-difluoro-4,4-dimethylpyrrolidin-1-yl)pyrazolo[1,5-a]pyrazin-2-yl]-1H-pyrimidine-2,4-dione

5-[7-chloro-4-(3,3-difluoro-4,4-dimethylpyrrolidin-1-yl)pyrazolo[1,5-a]pyrazin-2-yl]-1H-pyrimidine-2,4-dione (PubChem CID 170606893) has the molecular formula C16H15ClF2N6O2 and a molecular weight of 396.79 g/mol. Its IUPAC name is 5-[7-chloro-4-(3,3-difluoro-4,4-dimethylpyrrolidin-1-yl)pyrazolo[1,5-a]pyrazin-2-yl]-1H-pyrimidine-2,4-dione.

Molecular Properties

Compound Name5-[7-chloro-4-(3,3-difluoro-4,4-dimethylpyrrolidin-1-yl)pyrazolo[1,5-a]pyrazin-2-yl]-1H-pyrimidine-2,4-dione
PubChem CID170606893
Molecular FormulaC16H15ClF2N6O2
Molecular Weight396.79 g/mol
Exact Mass396.09
IUPAC Name5-[7-chloro-4-(3,3-difluoro-4,4-dimethylpyrrolidin-1-yl)pyrazolo[1,5-a]pyrazin-2-yl]-1H-pyrimidine-2,4-dione
SMILESCC1(C)CN(c2ncc(Cl)n3nc(-c4c[nH]c(=O)[nH]c4=O)cc23)CC1(F)F
InChIInChI=1S/C16H15ClF2N6O2/c1-15(2)6-24(7-16(15,18)19)12-10-3-9(23-25(10)11(17)5-20-12)8-4-21-14(27)22-13(8)26/h3-5H,6-7H2,1-2H3,(H2,21,22,26,27)
InChIKeyAHKFFOJSOMDMAQ-UHFFFAOYSA-N
XLogP1.91
TPSA99.15 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.79
LogP ≤ 51.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 5-[7-chloro-4-(3,3-difluoro-4,4-dimethylpyrrolidin-1-yl)pyrazolo[1,5-a]pyrazin-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-[7-chloro-4-(3,3-difluoro-4,4-dimethylpyrrolidin-1-yl)pyrazolo[1,5-a]pyrazin-2-yl]-1H-pyrimidine-2,4-dione?
The IUPAC name of 5-[7-chloro-4-(3,3-difluoro-4,4-dimethylpyrrolidin-1-yl)pyrazolo[1,5-a]pyrazin-2-yl]-1H-pyrimidine-2,4-dione (CID 170606893) is 5-[7-chloro-4-(3,3-difluoro-4,4-dimethylpyrrolidin-1-yl)pyrazolo[1,5-a]pyrazin-2-yl]-1H-pyrimidine-2,4-dione.
What is the SMILES notation for 5-[7-chloro-4-(3,3-difluoro-4,4-dimethylpyrrolidin-1-yl)pyrazolo[1,5-a]pyrazin-2-yl]-1H-pyrimidine-2,4-dione?
The canonical SMILES for 5-[7-chloro-4-(3,3-difluoro-4,4-dimethylpyrrolidin-1-yl)pyrazolo[1,5-a]pyrazin-2-yl]-1H-pyrimidine-2,4-dione is CC1(C)CN(c2ncc(Cl)n3nc(-c4c[nH]c(=O)[nH]c4=O)cc23)CC1(F)F.
What is the InChIKey of 5-[7-chloro-4-(3,3-difluoro-4,4-dimethylpyrrolidin-1-yl)pyrazolo[1,5-a]pyrazin-2-yl]-1H-pyrimidine-2,4-dione?
The InChIKey is AHKFFOJSOMDMAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15ClF2N6O2/c1-15(2)6-24(7-16(15,18)19)12-10-3-9(23-25(10)11(17)5-20-12)8-4-21-14(27)22-13(8)26/h3-5H,6-7H2,1-2H3,(H2,21,22,26,27).
What are the key properties of 5-[7-chloro-4-(3,3-difluoro-4,4-dimethylpyrrolidin-1-yl)pyrazolo[1,5-a]pyrazin-2-yl]-1H-pyrimidine-2,4-dione?
5-[7-chloro-4-(3,3-difluoro-4,4-dimethylpyrrolidin-1-yl)pyrazolo[1,5-a]pyrazin-2-yl]-1H-pyrimidine-2,4-dione has a molecular weight of 396.79 g/mol, XLogP of 1.91, 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-(3,3-difluoro-4,4-dimethylpyrrolidin-1-yl)pyrazolo[1,5-a]pyrazin-2-yl]-1H-pyrimidine-2,4-dione is sourced from PubChem (CID 170606893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).