5-[4-(8,8-difluoro-6-azaspiro[3.4]octan-6-yl)pyrazolo[1,5-a]pyrazin-2-yl]-1H-pyrimidine-2,4-dione

C17H16F2N6O2 — CID 170606733

IUPAC5-[4-(8,8-difluoro-6-azaspiro[3.4]octan-6-yl)pyrazolo[1,5-a]pyrazin-2-yl]-1H-pyrimidine-2,4-dione
SMILESO=c1[nH]cc(-c2cc3c(N4CC(F)(F)C5(CCC5)C4)nccn3n2)c(=O)[nH]1
InChIInChI=1S/C17H16F2N6O2/c18-17(19)9-24(8-16(17)2-1-3-16)13-12-6-11(23-25(12)5-4-20-13)10-7-21-15(27)22-14(10)26/h4-7H,1-3,8-9H2,(H2,21,22,26,27)
InChIKeyWJOYMFUVVJTFBJ-UHFFFAOYSA-N
MW374.35 g/mol
LogP1.40
Rot. Bonds2

About 5-[4-(8,8-difluoro-6-azaspiro[3.4]octan-6-yl)pyrazolo[1,5-a]pyrazin-2-yl]-1H-pyrimidine-2,4-dione

5-[4-(8,8-difluoro-6-azaspiro[3.4]octan-6-yl)pyrazolo[1,5-a]pyrazin-2-yl]-1H-pyrimidine-2,4-dione (PubChem CID 170606733) has the molecular formula C17H16F2N6O2 and a molecular weight of 374.35 g/mol. Its IUPAC name is 5-[4-(8,8-difluoro-6-azaspiro[3.4]octan-6-yl)pyrazolo[1,5-a]pyrazin-2-yl]-1H-pyrimidine-2,4-dione.

Molecular Properties

Compound Name5-[4-(8,8-difluoro-6-azaspiro[3.4]octan-6-yl)pyrazolo[1,5-a]pyrazin-2-yl]-1H-pyrimidine-2,4-dione
PubChem CID170606733
Molecular FormulaC17H16F2N6O2
Molecular Weight374.35 g/mol
Exact Mass374.13
IUPAC Name5-[4-(8,8-difluoro-6-azaspiro[3.4]octan-6-yl)pyrazolo[1,5-a]pyrazin-2-yl]-1H-pyrimidine-2,4-dione
SMILESO=c1[nH]cc(-c2cc3c(N4CC(F)(F)C5(CCC5)C4)nccn3n2)c(=O)[nH]1
InChIInChI=1S/C17H16F2N6O2/c18-17(19)9-24(8-16(17)2-1-3-16)13-12-6-11(23-25(12)5-4-20-13)10-7-21-15(27)22-14(10)26/h4-7H,1-3,8-9H2,(H2,21,22,26,27)
InChIKeyWJOYMFUVVJTFBJ-UHFFFAOYSA-N
XLogP1.40
TPSA99.15 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.35
LogP ≤ 51.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-[4-(8,8-difluoro-6-azaspiro[3.4]octan-6-yl)pyrazolo[1,5-a]pyrazin-2-yl]-1H-pyrimidine-2,4-dione?
The IUPAC name of 5-[4-(8,8-difluoro-6-azaspiro[3.4]octan-6-yl)pyrazolo[1,5-a]pyrazin-2-yl]-1H-pyrimidine-2,4-dione (CID 170606733) is 5-[4-(8,8-difluoro-6-azaspiro[3.4]octan-6-yl)pyrazolo[1,5-a]pyrazin-2-yl]-1H-pyrimidine-2,4-dione.
What is the SMILES notation for 5-[4-(8,8-difluoro-6-azaspiro[3.4]octan-6-yl)pyrazolo[1,5-a]pyrazin-2-yl]-1H-pyrimidine-2,4-dione?
The canonical SMILES for 5-[4-(8,8-difluoro-6-azaspiro[3.4]octan-6-yl)pyrazolo[1,5-a]pyrazin-2-yl]-1H-pyrimidine-2,4-dione is O=c1[nH]cc(-c2cc3c(N4CC(F)(F)C5(CCC5)C4)nccn3n2)c(=O)[nH]1.
What is the InChIKey of 5-[4-(8,8-difluoro-6-azaspiro[3.4]octan-6-yl)pyrazolo[1,5-a]pyrazin-2-yl]-1H-pyrimidine-2,4-dione?
The InChIKey is WJOYMFUVVJTFBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16F2N6O2/c18-17(19)9-24(8-16(17)2-1-3-16)13-12-6-11(23-25(12)5-4-20-13)10-7-21-15(27)22-14(10)26/h4-7H,1-3,8-9H2,(H2,21,22,26,27).
What are the key properties of 5-[4-(8,8-difluoro-6-azaspiro[3.4]octan-6-yl)pyrazolo[1,5-a]pyrazin-2-yl]-1H-pyrimidine-2,4-dione?
5-[4-(8,8-difluoro-6-azaspiro[3.4]octan-6-yl)pyrazolo[1,5-a]pyrazin-2-yl]-1H-pyrimidine-2,4-dione has a molecular weight of 374.35 g/mol, XLogP of 1.40, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-(8,8-difluoro-6-azaspiro[3.4]octan-6-yl)pyrazolo[1,5-a]pyrazin-2-yl]-1H-pyrimidine-2,4-dione is sourced from PubChem (CID 170606733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).