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

C17H15F5N6O2 — CID 170606721

IUPAC5-[4-(3,3-difluoro-4,4-dimethylpyrrolidin-1-yl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrazin-2-yl]-1H-pyrimidine-2,4-dione
SMILESCC1(C)CN(c2ncc(C(F)(F)F)n3nc(-c4c[nH]c(=O)[nH]c4=O)cc23)CC1(F)F
InChIInChI=1S/C17H15F5N6O2/c1-15(2)6-27(7-16(15,18)19)12-10-3-9(8-4-24-14(30)25-13(8)29)26-28(10)11(5-23-12)17(20,21)22/h3-5H,6-7H2,1-2H3,(H2,24,25,29,30)
InChIKeyLEOWSMGDNMYEHQ-UHFFFAOYSA-N
MW430.34 g/mol
LogP2.27
Rot. Bonds2

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

5-[4-(3,3-difluoro-4,4-dimethylpyrrolidin-1-yl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrazin-2-yl]-1H-pyrimidine-2,4-dione (PubChem CID 170606721) has the molecular formula C17H15F5N6O2 and a molecular weight of 430.34 g/mol. Its IUPAC name is 5-[4-(3,3-difluoro-4,4-dimethylpyrrolidin-1-yl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrazin-2-yl]-1H-pyrimidine-2,4-dione.

Molecular Properties

Compound Name5-[4-(3,3-difluoro-4,4-dimethylpyrrolidin-1-yl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrazin-2-yl]-1H-pyrimidine-2,4-dione
PubChem CID170606721
Molecular FormulaC17H15F5N6O2
Molecular Weight430.34 g/mol
Exact Mass430.12
IUPAC Name5-[4-(3,3-difluoro-4,4-dimethylpyrrolidin-1-yl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrazin-2-yl]-1H-pyrimidine-2,4-dione
SMILESCC1(C)CN(c2ncc(C(F)(F)F)n3nc(-c4c[nH]c(=O)[nH]c4=O)cc23)CC1(F)F
InChIInChI=1S/C17H15F5N6O2/c1-15(2)6-27(7-16(15,18)19)12-10-3-9(8-4-24-14(30)25-13(8)29)26-28(10)11(5-23-12)17(20,21)22/h3-5H,6-7H2,1-2H3,(H2,24,25,29,30)
InChIKeyLEOWSMGDNMYEHQ-UHFFFAOYSA-N
XLogP2.27
TPSA99.15 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.34
LogP ≤ 52.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-[4-(3,3-difluoro-4,4-dimethylpyrrolidin-1-yl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrazin-2-yl]-1H-pyrimidine-2,4-dione?
The IUPAC name of 5-[4-(3,3-difluoro-4,4-dimethylpyrrolidin-1-yl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrazin-2-yl]-1H-pyrimidine-2,4-dione (CID 170606721) is 5-[4-(3,3-difluoro-4,4-dimethylpyrrolidin-1-yl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrazin-2-yl]-1H-pyrimidine-2,4-dione.
What is the SMILES notation for 5-[4-(3,3-difluoro-4,4-dimethylpyrrolidin-1-yl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrazin-2-yl]-1H-pyrimidine-2,4-dione?
The canonical SMILES for 5-[4-(3,3-difluoro-4,4-dimethylpyrrolidin-1-yl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrazin-2-yl]-1H-pyrimidine-2,4-dione is CC1(C)CN(c2ncc(C(F)(F)F)n3nc(-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)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrazin-2-yl]-1H-pyrimidine-2,4-dione?
The InChIKey is LEOWSMGDNMYEHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15F5N6O2/c1-15(2)6-27(7-16(15,18)19)12-10-3-9(8-4-24-14(30)25-13(8)29)26-28(10)11(5-23-12)17(20,21)22/h3-5H,6-7H2,1-2H3,(H2,24,25,29,30).
What are the key properties of 5-[4-(3,3-difluoro-4,4-dimethylpyrrolidin-1-yl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrazin-2-yl]-1H-pyrimidine-2,4-dione?
5-[4-(3,3-difluoro-4,4-dimethylpyrrolidin-1-yl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrazin-2-yl]-1H-pyrimidine-2,4-dione has a molecular weight of 430.34 g/mol, XLogP of 2.27, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-(3,3-difluoro-4,4-dimethylpyrrolidin-1-yl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrazin-2-yl]-1H-pyrimidine-2,4-dione is sourced from PubChem (CID 170606721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).