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

C14H12F2N6O3 — CID 170606960

IUPAC5-[4-(3,3-difluoro-4-hydroxypyrrolidin-1-yl)pyrazolo[1,5-a]pyrazin-2-yl]-1H-pyrimidine-2,4-dione
SMILESO=c1[nH]cc(-c2cc3c(N4CC(O)C(F)(F)C4)nccn3n2)c(=O)[nH]1
InChIInChI=1S/C14H12F2N6O3/c15-14(16)6-21(5-10(14)23)11-9-3-8(20-22(9)2-1-17-11)7-4-18-13(25)19-12(7)24/h1-4,10,23H,5-6H2,(H2,18,19,24,25)
InChIKeyWIWDVUZUGCQRDC-UHFFFAOYSA-N
MW350.29 g/mol
LogP-0.41
Rot. Bonds2

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

5-[4-(3,3-difluoro-4-hydroxypyrrolidin-1-yl)pyrazolo[1,5-a]pyrazin-2-yl]-1H-pyrimidine-2,4-dione (PubChem CID 170606960) has the molecular formula C14H12F2N6O3 and a molecular weight of 350.29 g/mol. Its IUPAC name is 5-[4-(3,3-difluoro-4-hydroxypyrrolidin-1-yl)pyrazolo[1,5-a]pyrazin-2-yl]-1H-pyrimidine-2,4-dione.

Molecular Properties

Compound Name5-[4-(3,3-difluoro-4-hydroxypyrrolidin-1-yl)pyrazolo[1,5-a]pyrazin-2-yl]-1H-pyrimidine-2,4-dione
PubChem CID170606960
Molecular FormulaC14H12F2N6O3
Molecular Weight350.29 g/mol
Exact Mass350.09
IUPAC Name5-[4-(3,3-difluoro-4-hydroxypyrrolidin-1-yl)pyrazolo[1,5-a]pyrazin-2-yl]-1H-pyrimidine-2,4-dione
SMILESO=c1[nH]cc(-c2cc3c(N4CC(O)C(F)(F)C4)nccn3n2)c(=O)[nH]1
InChIInChI=1S/C14H12F2N6O3/c15-14(16)6-21(5-10(14)23)11-9-3-8(20-22(9)2-1-17-11)7-4-18-13(25)19-12(7)24/h1-4,10,23H,5-6H2,(H2,18,19,24,25)
InChIKeyWIWDVUZUGCQRDC-UHFFFAOYSA-N
XLogP-0.41
TPSA119.38 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.29
LogP ≤ 5-0.41
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-[4-(3,3-difluoro-4-hydroxypyrrolidin-1-yl)pyrazolo[1,5-a]pyrazin-2-yl]-1H-pyrimidine-2,4-dione?
The IUPAC name of 5-[4-(3,3-difluoro-4-hydroxypyrrolidin-1-yl)pyrazolo[1,5-a]pyrazin-2-yl]-1H-pyrimidine-2,4-dione (CID 170606960) is 5-[4-(3,3-difluoro-4-hydroxypyrrolidin-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-hydroxypyrrolidin-1-yl)pyrazolo[1,5-a]pyrazin-2-yl]-1H-pyrimidine-2,4-dione?
The canonical SMILES for 5-[4-(3,3-difluoro-4-hydroxypyrrolidin-1-yl)pyrazolo[1,5-a]pyrazin-2-yl]-1H-pyrimidine-2,4-dione is O=c1[nH]cc(-c2cc3c(N4CC(O)C(F)(F)C4)nccn3n2)c(=O)[nH]1.
What is the InChIKey of 5-[4-(3,3-difluoro-4-hydroxypyrrolidin-1-yl)pyrazolo[1,5-a]pyrazin-2-yl]-1H-pyrimidine-2,4-dione?
The InChIKey is WIWDVUZUGCQRDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12F2N6O3/c15-14(16)6-21(5-10(14)23)11-9-3-8(20-22(9)2-1-17-11)7-4-18-13(25)19-12(7)24/h1-4,10,23H,5-6H2,(H2,18,19,24,25).
What are the key properties of 5-[4-(3,3-difluoro-4-hydroxypyrrolidin-1-yl)pyrazolo[1,5-a]pyrazin-2-yl]-1H-pyrimidine-2,4-dione?
5-[4-(3,3-difluoro-4-hydroxypyrrolidin-1-yl)pyrazolo[1,5-a]pyrazin-2-yl]-1H-pyrimidine-2,4-dione has a molecular weight of 350.29 g/mol, XLogP of -0.41, 2 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-(3,3-difluoro-4-hydroxypyrrolidin-1-yl)pyrazolo[1,5-a]pyrazin-2-yl]-1H-pyrimidine-2,4-dione is sourced from PubChem (CID 170606960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).