3-fluoro-4-(4-methyl-1,3,4,6,7,8,9,9a-octahydropyrazino[1,2-a]pyrazin-2-yl)pyrazolo[1,5-a]pyridine-7-carbonitrile

C16H19FN6 — CID 155205726

IUPAC3-fluoro-4-(4-methyl-1,3,4,6,7,8,9,9a-octahydropyrazino[1,2-a]pyrazin-2-yl)pyrazolo[1,5-a]pyridine-7-carbonitrile
SMILESCC1CN(c2ccc(C#N)n3ncc(F)c23)CC2CNCCN12
InChIInChI=1S/C16H19FN6/c1-11-9-21(10-13-7-19-4-5-22(11)13)15-3-2-12(6-18)23-16(15)14(17)8-20-23/h2-3,8,11,13,19H,4-5,7,9-10H2,1H3
InChIKeyBRWQYNDOOFZAOL-UHFFFAOYSA-N
MW314.37 g/mol
LogP0.83
Rot. Bonds1

About 3-fluoro-4-(4-methyl-1,3,4,6,7,8,9,9a-octahydropyrazino[1,2-a]pyrazin-2-yl)pyrazolo[1,5-a]pyridine-7-carbonitrile

3-fluoro-4-(4-methyl-1,3,4,6,7,8,9,9a-octahydropyrazino[1,2-a]pyrazin-2-yl)pyrazolo[1,5-a]pyridine-7-carbonitrile (PubChem CID 155205726) has the molecular formula C16H19FN6 and a molecular weight of 314.37 g/mol. Its IUPAC name is 3-fluoro-4-(4-methyl-1,3,4,6,7,8,9,9a-octahydropyrazino[1,2-a]pyrazin-2-yl)pyrazolo[1,5-a]pyridine-7-carbonitrile.

Molecular Properties

Compound Name3-fluoro-4-(4-methyl-1,3,4,6,7,8,9,9a-octahydropyrazino[1,2-a]pyrazin-2-yl)pyrazolo[1,5-a]pyridine-7-carbonitrile
PubChem CID155205726
Molecular FormulaC16H19FN6
Molecular Weight314.37 g/mol
Exact Mass314.17
IUPAC Name3-fluoro-4-(4-methyl-1,3,4,6,7,8,9,9a-octahydropyrazino[1,2-a]pyrazin-2-yl)pyrazolo[1,5-a]pyridine-7-carbonitrile
SMILESCC1CN(c2ccc(C#N)n3ncc(F)c23)CC2CNCCN12
InChIInChI=1S/C16H19FN6/c1-11-9-21(10-13-7-19-4-5-22(11)13)15-3-2-12(6-18)23-16(15)14(17)8-20-23/h2-3,8,11,13,19H,4-5,7,9-10H2,1H3
InChIKeyBRWQYNDOOFZAOL-UHFFFAOYSA-N
XLogP0.83
TPSA59.60 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.37
LogP ≤ 50.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-fluoro-4-(4-methyl-1,3,4,6,7,8,9,9a-octahydropyrazino[1,2-a]pyrazin-2-yl)pyrazolo[1,5-a]pyridine-7-carbonitrile?
The IUPAC name of 3-fluoro-4-(4-methyl-1,3,4,6,7,8,9,9a-octahydropyrazino[1,2-a]pyrazin-2-yl)pyrazolo[1,5-a]pyridine-7-carbonitrile (CID 155205726) is 3-fluoro-4-(4-methyl-1,3,4,6,7,8,9,9a-octahydropyrazino[1,2-a]pyrazin-2-yl)pyrazolo[1,5-a]pyridine-7-carbonitrile.
What is the SMILES notation for 3-fluoro-4-(4-methyl-1,3,4,6,7,8,9,9a-octahydropyrazino[1,2-a]pyrazin-2-yl)pyrazolo[1,5-a]pyridine-7-carbonitrile?
The canonical SMILES for 3-fluoro-4-(4-methyl-1,3,4,6,7,8,9,9a-octahydropyrazino[1,2-a]pyrazin-2-yl)pyrazolo[1,5-a]pyridine-7-carbonitrile is CC1CN(c2ccc(C#N)n3ncc(F)c23)CC2CNCCN12.
What is the InChIKey of 3-fluoro-4-(4-methyl-1,3,4,6,7,8,9,9a-octahydropyrazino[1,2-a]pyrazin-2-yl)pyrazolo[1,5-a]pyridine-7-carbonitrile?
The InChIKey is BRWQYNDOOFZAOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19FN6/c1-11-9-21(10-13-7-19-4-5-22(11)13)15-3-2-12(6-18)23-16(15)14(17)8-20-23/h2-3,8,11,13,19H,4-5,7,9-10H2,1H3.
What are the key properties of 3-fluoro-4-(4-methyl-1,3,4,6,7,8,9,9a-octahydropyrazino[1,2-a]pyrazin-2-yl)pyrazolo[1,5-a]pyridine-7-carbonitrile?
3-fluoro-4-(4-methyl-1,3,4,6,7,8,9,9a-octahydropyrazino[1,2-a]pyrazin-2-yl)pyrazolo[1,5-a]pyridine-7-carbonitrile has a molecular weight of 314.37 g/mol, XLogP of 0.83, 1 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-4-(4-methyl-1,3,4,6,7,8,9,9a-octahydropyrazino[1,2-a]pyrazin-2-yl)pyrazolo[1,5-a]pyridine-7-carbonitrile is sourced from PubChem (CID 155205726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).