1-(2-fluoro-3-methoxypropyl)-6-propan-2-ylpyrazolo[3,4-b]pyrazine

C12H17FN4O — CID 166104754

IUPAC1-(2-fluoro-3-methoxypropyl)-6-propan-2-ylpyrazolo[3,4-b]pyrazine
SMILESCOCC(F)Cn1ncc2ncc(C(C)C)nc21
InChIInChI=1S/C12H17FN4O/c1-8(2)10-4-14-11-5-15-17(12(11)16-10)6-9(13)7-18-3/h4-5,8-9H,6-7H2,1-3H3
InChIKeyREQMTVFEXKMYSZ-UHFFFAOYSA-N
MW252.29 g/mol
LogP1.93
Rot. Bonds5

About 1-(2-fluoro-3-methoxypropyl)-6-propan-2-ylpyrazolo[3,4-b]pyrazine

1-(2-fluoro-3-methoxypropyl)-6-propan-2-ylpyrazolo[3,4-b]pyrazine (PubChem CID 166104754) has the molecular formula C12H17FN4O and a molecular weight of 252.29 g/mol. Its IUPAC name is 1-(2-fluoro-3-methoxypropyl)-6-propan-2-ylpyrazolo[3,4-b]pyrazine.

Molecular Properties

Compound Name1-(2-fluoro-3-methoxypropyl)-6-propan-2-ylpyrazolo[3,4-b]pyrazine
PubChem CID166104754
Molecular FormulaC12H17FN4O
Molecular Weight252.29 g/mol
Exact Mass252.14
IUPAC Name1-(2-fluoro-3-methoxypropyl)-6-propan-2-ylpyrazolo[3,4-b]pyrazine
SMILESCOCC(F)Cn1ncc2ncc(C(C)C)nc21
InChIInChI=1S/C12H17FN4O/c1-8(2)10-4-14-11-5-15-17(12(11)16-10)6-9(13)7-18-3/h4-5,8-9H,6-7H2,1-3H3
InChIKeyREQMTVFEXKMYSZ-UHFFFAOYSA-N
XLogP1.93
TPSA52.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.29
LogP ≤ 51.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

3-t-Butyl-8-methylpyrazolo[5,1-c][1,2,4]triazine
CID 146037688
2-[[5-[(3Z,5Z)-2-fluorohepta-1,3,5-trien-3-yl]pyrazolo[3,4-b]pyrazin-1-yl]methoxy]ethyl-trimethylsilane
CID 88970818
5-Tert-butyl-2-(3,3,3-trifluoropropyl)triazolo[4,5-d]pyrimidine
CID 141366520
1-(2,2-Difluoroethyl)-6-propan-2-ylpyrazolo[3,4-b]pyrazine
CID 166104045
1-(2,2-Difluoroethyl)-6-ethylpyrazolo[3,4-b]pyrazine
CID 166104086
1-(2,2-Difluoroethyl)-6-methylpyrazolo[3,4-b]pyrazine
CID 166104123
6-Methyl-1-(2,2,2-trifluoroethyl)pyrazolo[3,4-b]pyrazine
CID 166104131
[(3S,5R)-1-[1-(2-fluoro-3-methoxypropyl)pyrazolo[3,4-b]pyrazin-6-yl]-5-methylpiperidin-3-yl]methanol
CID 166104207
6-Ethyl-1-[2-(2,2,2-trifluoroethoxy)ethyl]pyrazolo[3,4-b]pyrazine
CID 166104332
[(3S,5S)-1-[1-(2,2-difluoroethyl)pyrazolo[3,4-b]pyrazin-6-yl]-5-methylpiperidin-3-yl]methanol
CID 166104419
6-Propan-2-yl-1-[2-(2,2,2-trifluoroethoxy)ethyl]pyrazolo[3,4-b]pyrazine
CID 166104623
1-(2,2-difluoroethyl)-N-ethyl-N-(2-methylpropyl)pyrazolo[3,4-b]pyrazin-6-amine
CID 166104687

Frequently Asked Questions

What is the IUPAC name of 1-(2-fluoro-3-methoxypropyl)-6-propan-2-ylpyrazolo[3,4-b]pyrazine?
The IUPAC name of 1-(2-fluoro-3-methoxypropyl)-6-propan-2-ylpyrazolo[3,4-b]pyrazine (CID 166104754) is 1-(2-fluoro-3-methoxypropyl)-6-propan-2-ylpyrazolo[3,4-b]pyrazine.
What is the SMILES notation for 1-(2-fluoro-3-methoxypropyl)-6-propan-2-ylpyrazolo[3,4-b]pyrazine?
The canonical SMILES for 1-(2-fluoro-3-methoxypropyl)-6-propan-2-ylpyrazolo[3,4-b]pyrazine is COCC(F)Cn1ncc2ncc(C(C)C)nc21.
What is the InChIKey of 1-(2-fluoro-3-methoxypropyl)-6-propan-2-ylpyrazolo[3,4-b]pyrazine?
The InChIKey is REQMTVFEXKMYSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17FN4O/c1-8(2)10-4-14-11-5-15-17(12(11)16-10)6-9(13)7-18-3/h4-5,8-9H,6-7H2,1-3H3.
What are the key properties of 1-(2-fluoro-3-methoxypropyl)-6-propan-2-ylpyrazolo[3,4-b]pyrazine?
1-(2-fluoro-3-methoxypropyl)-6-propan-2-ylpyrazolo[3,4-b]pyrazine has a molecular weight of 252.29 g/mol, XLogP of 1.93, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluoro-3-methoxypropyl)-6-propan-2-ylpyrazolo[3,4-b]pyrazine is sourced from PubChem (CID 166104754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).