4-[(3-fluoropiperidin-3-yl)methoxy]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrazine

C16H19FN6O — CID 163301334

IUPAC4-[(3-fluoropiperidin-3-yl)methoxy]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrazine
SMILESCn1cc(-c2cn3nccc3c(OCC3(F)CCCNC3)n2)cn1
InChIInChI=1S/C16H19FN6O/c1-22-8-12(7-20-22)13-9-23-14(3-6-19-23)15(21-13)24-11-16(17)4-2-5-18-10-16/h3,6-9,18H,2,4-5,10-11H2,1H3
InChIKeyUOBCJVZEKUPKBT-UHFFFAOYSA-N
MW330.37 g/mol
LogP1.60
Rot. Bonds4

About 4-[(3-fluoropiperidin-3-yl)methoxy]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrazine

4-[(3-fluoropiperidin-3-yl)methoxy]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrazine (PubChem CID 163301334) has the molecular formula C16H19FN6O and a molecular weight of 330.37 g/mol. Its IUPAC name is 4-[(3-fluoropiperidin-3-yl)methoxy]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrazine.

Molecular Properties

Compound Name4-[(3-fluoropiperidin-3-yl)methoxy]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrazine
PubChem CID163301334
Molecular FormulaC16H19FN6O
Molecular Weight330.37 g/mol
Exact Mass330.16
IUPAC Name4-[(3-fluoropiperidin-3-yl)methoxy]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrazine
SMILESCn1cc(-c2cn3nccc3c(OCC3(F)CCCNC3)n2)cn1
InChIInChI=1S/C16H19FN6O/c1-22-8-12(7-20-22)13-9-23-14(3-6-19-23)15(21-13)24-11-16(17)4-2-5-18-10-16/h3,6-9,18H,2,4-5,10-11H2,1H3
InChIKeyUOBCJVZEKUPKBT-UHFFFAOYSA-N
XLogP1.60
TPSA69.27 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.37
LogP ≤ 51.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-[(3-fluoropiperidin-3-yl)methoxy]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrazine?
The IUPAC name of 4-[(3-fluoropiperidin-3-yl)methoxy]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrazine (CID 163301334) is 4-[(3-fluoropiperidin-3-yl)methoxy]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrazine.
What is the SMILES notation for 4-[(3-fluoropiperidin-3-yl)methoxy]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrazine?
The canonical SMILES for 4-[(3-fluoropiperidin-3-yl)methoxy]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrazine is Cn1cc(-c2cn3nccc3c(OCC3(F)CCCNC3)n2)cn1.
What is the InChIKey of 4-[(3-fluoropiperidin-3-yl)methoxy]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrazine?
The InChIKey is UOBCJVZEKUPKBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19FN6O/c1-22-8-12(7-20-22)13-9-23-14(3-6-19-23)15(21-13)24-11-16(17)4-2-5-18-10-16/h3,6-9,18H,2,4-5,10-11H2,1H3.
What are the key properties of 4-[(3-fluoropiperidin-3-yl)methoxy]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrazine?
4-[(3-fluoropiperidin-3-yl)methoxy]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrazine has a molecular weight of 330.37 g/mol, XLogP of 1.60, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3-fluoropiperidin-3-yl)methoxy]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrazine is sourced from PubChem (CID 163301334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).