3-(2-fluorophenyl)-5-pyrazin-2-yl-2,3,3a,4,5,6,7,7a-octahydro-1H-pyrazolo[3,4-c]pyridine

C16H18FN5 — CID 123133027

IUPAC3-(2-fluorophenyl)-5-pyrazin-2-yl-2,3,3a,4,5,6,7,7a-octahydro-1H-pyrazolo[3,4-c]pyridine
SMILESFc1ccccc1C1NNC2CNC(c3cnccn3)CC21
InChIInChI=1S/C16H18FN5/c17-12-4-2-1-3-10(12)16-11-7-13(15-8-18-5-6-19-15)20-9-14(11)21-22-16/h1-6,8,11,13-14,16,20-22H,7,9H2
InChIKeyXNOOSMLPLUPVAM-UHFFFAOYSA-N
MW299.35 g/mol
LogP1.48
Rot. Bonds2

About 3-(2-fluorophenyl)-5-pyrazin-2-yl-2,3,3a,4,5,6,7,7a-octahydro-1H-pyrazolo[3,4-c]pyridine

3-(2-fluorophenyl)-5-pyrazin-2-yl-2,3,3a,4,5,6,7,7a-octahydro-1H-pyrazolo[3,4-c]pyridine (PubChem CID 123133027) has the molecular formula C16H18FN5 and a molecular weight of 299.35 g/mol. Its IUPAC name is 3-(2-fluorophenyl)-5-pyrazin-2-yl-2,3,3a,4,5,6,7,7a-octahydro-1H-pyrazolo[3,4-c]pyridine.

Molecular Properties

Compound Name3-(2-fluorophenyl)-5-pyrazin-2-yl-2,3,3a,4,5,6,7,7a-octahydro-1H-pyrazolo[3,4-c]pyridine
PubChem CID123133027
Molecular FormulaC16H18FN5
Molecular Weight299.35 g/mol
Exact Mass299.15
IUPAC Name3-(2-fluorophenyl)-5-pyrazin-2-yl-2,3,3a,4,5,6,7,7a-octahydro-1H-pyrazolo[3,4-c]pyridine
SMILESFc1ccccc1C1NNC2CNC(c3cnccn3)CC21
InChIInChI=1S/C16H18FN5/c17-12-4-2-1-3-10(12)16-11-7-13(15-8-18-5-6-19-15)20-9-14(11)21-22-16/h1-6,8,11,13-14,16,20-22H,7,9H2
InChIKeyXNOOSMLPLUPVAM-UHFFFAOYSA-N
XLogP1.48
TPSA61.87 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.35
LogP ≤ 51.48
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(2-fluorophenyl)-5-pyrazin-2-yl-2,3,3a,4,5,6,7,7a-octahydro-1H-pyrazolo[3,4-c]pyridine?
The IUPAC name of 3-(2-fluorophenyl)-5-pyrazin-2-yl-2,3,3a,4,5,6,7,7a-octahydro-1H-pyrazolo[3,4-c]pyridine (CID 123133027) is 3-(2-fluorophenyl)-5-pyrazin-2-yl-2,3,3a,4,5,6,7,7a-octahydro-1H-pyrazolo[3,4-c]pyridine.
What is the SMILES notation for 3-(2-fluorophenyl)-5-pyrazin-2-yl-2,3,3a,4,5,6,7,7a-octahydro-1H-pyrazolo[3,4-c]pyridine?
The canonical SMILES for 3-(2-fluorophenyl)-5-pyrazin-2-yl-2,3,3a,4,5,6,7,7a-octahydro-1H-pyrazolo[3,4-c]pyridine is Fc1ccccc1C1NNC2CNC(c3cnccn3)CC21.
What is the InChIKey of 3-(2-fluorophenyl)-5-pyrazin-2-yl-2,3,3a,4,5,6,7,7a-octahydro-1H-pyrazolo[3,4-c]pyridine?
The InChIKey is XNOOSMLPLUPVAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18FN5/c17-12-4-2-1-3-10(12)16-11-7-13(15-8-18-5-6-19-15)20-9-14(11)21-22-16/h1-6,8,11,13-14,16,20-22H,7,9H2.
What are the key properties of 3-(2-fluorophenyl)-5-pyrazin-2-yl-2,3,3a,4,5,6,7,7a-octahydro-1H-pyrazolo[3,4-c]pyridine?
3-(2-fluorophenyl)-5-pyrazin-2-yl-2,3,3a,4,5,6,7,7a-octahydro-1H-pyrazolo[3,4-c]pyridine has a molecular weight of 299.35 g/mol, XLogP of 1.48, 2 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-fluorophenyl)-5-pyrazin-2-yl-2,3,3a,4,5,6,7,7a-octahydro-1H-pyrazolo[3,4-c]pyridine is sourced from PubChem (CID 123133027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).