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

C16H20N6 — CID 155206125

IUPAC4-(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)n3nccc23)CC2CNCCN12
InChIInChI=1S/C16H20N6/c1-12-10-20(11-14-9-18-6-7-21(12)14)15-3-2-13(8-17)22-16(15)4-5-19-22/h2-5,12,14,18H,6-7,9-11H2,1H3
InChIKeyGKYCLKMJGOMTCM-UHFFFAOYSA-N
MW296.38 g/mol
LogP0.69
Rot. Bonds1

About 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

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 155206125) has the molecular formula C16H20N6 and a molecular weight of 296.38 g/mol. Its IUPAC name is 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 Name4-(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 CID155206125
Molecular FormulaC16H20N6
Molecular Weight296.38 g/mol
Exact Mass296.17
IUPAC Name4-(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)n3nccc23)CC2CNCCN12
InChIInChI=1S/C16H20N6/c1-12-10-20(11-14-9-18-6-7-21(12)14)15-3-2-13(8-17)22-16(15)4-5-19-22/h2-5,12,14,18H,6-7,9-11H2,1H3
InChIKeyGKYCLKMJGOMTCM-UHFFFAOYSA-N
XLogP0.69
TPSA59.60 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.38
LogP ≤ 50.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 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 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 155206125) is 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 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 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)n3nccc23)CC2CNCCN12.
What is the InChIKey of 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 GKYCLKMJGOMTCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N6/c1-12-10-20(11-14-9-18-6-7-21(12)14)15-3-2-13(8-17)22-16(15)4-5-19-22/h2-5,12,14,18H,6-7,9-11H2,1H3.
What are the key properties of 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?
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 296.38 g/mol, XLogP of 0.69, 1 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 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 155206125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).