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

C15H14F2N6O3 — CID 170606905

IUPAC5-[4-(3,3-difluoro-4-methoxypyrrolidin-1-yl)pyrazolo[1,5-a]pyrazin-2-yl]-1H-pyrimidine-2,4-dione
SMILESCOC1CN(c2nccn3nc(-c4c[nH]c(=O)[nH]c4=O)cc23)CC1(F)F
InChIInChI=1S/C15H14F2N6O3/c1-26-11-6-22(7-15(11,16)17)12-10-4-9(21-23(10)3-2-18-12)8-5-19-14(25)20-13(8)24/h2-5,11H,6-7H2,1H3,(H2,19,20,24,25)
InChIKeyVUUALCDKPIZQOL-UHFFFAOYSA-N
MW364.31 g/mol
LogP0.24
Rot. Bonds3

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

5-[4-(3,3-difluoro-4-methoxypyrrolidin-1-yl)pyrazolo[1,5-a]pyrazin-2-yl]-1H-pyrimidine-2,4-dione (PubChem CID 170606905) has the molecular formula C15H14F2N6O3 and a molecular weight of 364.31 g/mol. Its IUPAC name is 5-[4-(3,3-difluoro-4-methoxypyrrolidin-1-yl)pyrazolo[1,5-a]pyrazin-2-yl]-1H-pyrimidine-2,4-dione.

Molecular Properties

Compound Name5-[4-(3,3-difluoro-4-methoxypyrrolidin-1-yl)pyrazolo[1,5-a]pyrazin-2-yl]-1H-pyrimidine-2,4-dione
PubChem CID170606905
Molecular FormulaC15H14F2N6O3
Molecular Weight364.31 g/mol
Exact Mass364.11
IUPAC Name5-[4-(3,3-difluoro-4-methoxypyrrolidin-1-yl)pyrazolo[1,5-a]pyrazin-2-yl]-1H-pyrimidine-2,4-dione
SMILESCOC1CN(c2nccn3nc(-c4c[nH]c(=O)[nH]c4=O)cc23)CC1(F)F
InChIInChI=1S/C15H14F2N6O3/c1-26-11-6-22(7-15(11,16)17)12-10-4-9(21-23(10)3-2-18-12)8-5-19-14(25)20-13(8)24/h2-5,11H,6-7H2,1H3,(H2,19,20,24,25)
InChIKeyVUUALCDKPIZQOL-UHFFFAOYSA-N
XLogP0.24
TPSA108.38 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.31
LogP ≤ 50.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-[4-(3,3-difluoro-4-methoxypyrrolidin-1-yl)pyrazolo[1,5-a]pyrazin-2-yl]-1H-pyrimidine-2,4-dione?
The IUPAC name of 5-[4-(3,3-difluoro-4-methoxypyrrolidin-1-yl)pyrazolo[1,5-a]pyrazin-2-yl]-1H-pyrimidine-2,4-dione (CID 170606905) is 5-[4-(3,3-difluoro-4-methoxypyrrolidin-1-yl)pyrazolo[1,5-a]pyrazin-2-yl]-1H-pyrimidine-2,4-dione.
What is the SMILES notation for 5-[4-(3,3-difluoro-4-methoxypyrrolidin-1-yl)pyrazolo[1,5-a]pyrazin-2-yl]-1H-pyrimidine-2,4-dione?
The canonical SMILES for 5-[4-(3,3-difluoro-4-methoxypyrrolidin-1-yl)pyrazolo[1,5-a]pyrazin-2-yl]-1H-pyrimidine-2,4-dione is COC1CN(c2nccn3nc(-c4c[nH]c(=O)[nH]c4=O)cc23)CC1(F)F.
What is the InChIKey of 5-[4-(3,3-difluoro-4-methoxypyrrolidin-1-yl)pyrazolo[1,5-a]pyrazin-2-yl]-1H-pyrimidine-2,4-dione?
The InChIKey is VUUALCDKPIZQOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14F2N6O3/c1-26-11-6-22(7-15(11,16)17)12-10-4-9(21-23(10)3-2-18-12)8-5-19-14(25)20-13(8)24/h2-5,11H,6-7H2,1H3,(H2,19,20,24,25).
What are the key properties of 5-[4-(3,3-difluoro-4-methoxypyrrolidin-1-yl)pyrazolo[1,5-a]pyrazin-2-yl]-1H-pyrimidine-2,4-dione?
5-[4-(3,3-difluoro-4-methoxypyrrolidin-1-yl)pyrazolo[1,5-a]pyrazin-2-yl]-1H-pyrimidine-2,4-dione has a molecular weight of 364.31 g/mol, XLogP of 0.24, 3 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-methoxypyrrolidin-1-yl)pyrazolo[1,5-a]pyrazin-2-yl]-1H-pyrimidine-2,4-dione is sourced from PubChem (CID 170606905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).