[(3S,5R)-1-[1-(2-fluoro-3-methoxypropyl)pyrazolo[3,4-b]pyrazin-6-yl]-5-methylpiperidin-3-yl]methanol

C16H24FN5O2 — CID 166104207

IUPAC[(3S,5R)-1-[1-(2-fluoro-3-methoxypropyl)pyrazolo[3,4-b]pyrazin-6-yl]-5-methylpiperidin-3-yl]methanol
SMILESCOCC(F)Cn1ncc2ncc(N3C[C@H](C)C[C@H](CO)C3)nc21
InChIInChI=1S/C16H24FN5O2/c1-11-3-12(9-23)7-21(6-11)15-5-18-14-4-19-22(16(14)20-15)8-13(17)10-24-2/h4-5,11-13,23H,3,6-10H2,1-2H3/t11-,12+,13?/m1/s1
InChIKeyPAWCYWLPOVOBOE-OJRHAOMCSA-N
MW337.40 g/mol
LogP1.27
Rot. Bonds6

About [(3S,5R)-1-[1-(2-fluoro-3-methoxypropyl)pyrazolo[3,4-b]pyrazin-6-yl]-5-methylpiperidin-3-yl]methanol

[(3S,5R)-1-[1-(2-fluoro-3-methoxypropyl)pyrazolo[3,4-b]pyrazin-6-yl]-5-methylpiperidin-3-yl]methanol (PubChem CID 166104207) has the molecular formula C16H24FN5O2 and a molecular weight of 337.40 g/mol. Its IUPAC name is [(3S,5R)-1-[1-(2-fluoro-3-methoxypropyl)pyrazolo[3,4-b]pyrazin-6-yl]-5-methylpiperidin-3-yl]methanol.

Molecular Properties

Compound Name[(3S,5R)-1-[1-(2-fluoro-3-methoxypropyl)pyrazolo[3,4-b]pyrazin-6-yl]-5-methylpiperidin-3-yl]methanol
PubChem CID166104207
Molecular FormulaC16H24FN5O2
Molecular Weight337.40 g/mol
Exact Mass337.19
IUPAC Name[(3S,5R)-1-[1-(2-fluoro-3-methoxypropyl)pyrazolo[3,4-b]pyrazin-6-yl]-5-methylpiperidin-3-yl]methanol
SMILESCOCC(F)Cn1ncc2ncc(N3C[C@H](C)C[C@H](CO)C3)nc21
InChIInChI=1S/C16H24FN5O2/c1-11-3-12(9-23)7-21(6-11)15-5-18-14-4-19-22(16(14)20-15)8-13(17)10-24-2/h4-5,11-13,23H,3,6-10H2,1-2H3/t11-,12+,13?/m1/s1
InChIKeyPAWCYWLPOVOBOE-OJRHAOMCSA-N
XLogP1.27
TPSA76.30 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.40
LogP ≤ 51.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of [(3S,5R)-1-[1-(2-fluoro-3-methoxypropyl)pyrazolo[3,4-b]pyrazin-6-yl]-5-methylpiperidin-3-yl]methanol?
The IUPAC name of [(3S,5R)-1-[1-(2-fluoro-3-methoxypropyl)pyrazolo[3,4-b]pyrazin-6-yl]-5-methylpiperidin-3-yl]methanol (CID 166104207) is [(3S,5R)-1-[1-(2-fluoro-3-methoxypropyl)pyrazolo[3,4-b]pyrazin-6-yl]-5-methylpiperidin-3-yl]methanol.
What is the SMILES notation for [(3S,5R)-1-[1-(2-fluoro-3-methoxypropyl)pyrazolo[3,4-b]pyrazin-6-yl]-5-methylpiperidin-3-yl]methanol?
The canonical SMILES for [(3S,5R)-1-[1-(2-fluoro-3-methoxypropyl)pyrazolo[3,4-b]pyrazin-6-yl]-5-methylpiperidin-3-yl]methanol is COCC(F)Cn1ncc2ncc(N3C[C@H](C)C[C@H](CO)C3)nc21.
What is the InChIKey of [(3S,5R)-1-[1-(2-fluoro-3-methoxypropyl)pyrazolo[3,4-b]pyrazin-6-yl]-5-methylpiperidin-3-yl]methanol?
The InChIKey is PAWCYWLPOVOBOE-OJRHAOMCSA-N. The full InChI is InChI=1S/C16H24FN5O2/c1-11-3-12(9-23)7-21(6-11)15-5-18-14-4-19-22(16(14)20-15)8-13(17)10-24-2/h4-5,11-13,23H,3,6-10H2,1-2H3/t11-,12+,13?/m1/s1.
What are the key properties of [(3S,5R)-1-[1-(2-fluoro-3-methoxypropyl)pyrazolo[3,4-b]pyrazin-6-yl]-5-methylpiperidin-3-yl]methanol?
[(3S,5R)-1-[1-(2-fluoro-3-methoxypropyl)pyrazolo[3,4-b]pyrazin-6-yl]-5-methylpiperidin-3-yl]methanol has a molecular weight of 337.40 g/mol, XLogP of 1.27, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [(3S,5R)-1-[1-(2-fluoro-3-methoxypropyl)pyrazolo[3,4-b]pyrazin-6-yl]-5-methylpiperidin-3-yl]methanol is sourced from PubChem (CID 166104207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).