2-(7-cyanopyrazolo[1,5-a]pyridin-4-yl)-4-methyl-3,4,6,7,9,9a-hexahydro-1H-pyrazino[1,2-a]pyrazine-8-carboxylic acid;2,2-dimethylbutane

C23H34N6O2 — CID 155708037

IUPAC2-(7-cyanopyrazolo[1,5-a]pyridin-4-yl)-4-methyl-3,4,6,7,9,9a-hexahydro-1H-pyrazino[1,2-a]pyrazine-8-carboxylic acid;2,2-dimethylbutane
SMILESCC1CN(c2ccc(C#N)n3nccc23)CC2CN(C(=O)O)CCN12.CCC(C)(C)C
InChIInChI=1S/C17H20N6O2.C6H14/c1-12-9-21(11-14-10-20(17(24)25)6-7-22(12)14)15-3-2-13(8-18)23-16(15)4-5-19-23;1-5-6(2,3)4/h2-5,12,14H,6-7,9-11H2,1H3,(H,24,25);5H2,1-4H3
InChIKeyLFNVAOSFQZBNII-UHFFFAOYSA-N
MW426.57 g/mol
LogP3.52
Rot. Bonds1

About 2-(7-cyanopyrazolo[1,5-a]pyridin-4-yl)-4-methyl-3,4,6,7,9,9a-hexahydro-1H-pyrazino[1,2-a]pyrazine-8-carboxylic acid;2,2-dimethylbutane

2-(7-cyanopyrazolo[1,5-a]pyridin-4-yl)-4-methyl-3,4,6,7,9,9a-hexahydro-1H-pyrazino[1,2-a]pyrazine-8-carboxylic acid;2,2-dimethylbutane (PubChem CID 155708037) has the molecular formula C23H34N6O2 and a molecular weight of 426.57 g/mol. Its IUPAC name is 2-(7-cyanopyrazolo[1,5-a]pyridin-4-yl)-4-methyl-3,4,6,7,9,9a-hexahydro-1H-pyrazino[1,2-a]pyrazine-8-carboxylic acid;2,2-dimethylbutane.

Molecular Properties

Compound Name2-(7-cyanopyrazolo[1,5-a]pyridin-4-yl)-4-methyl-3,4,6,7,9,9a-hexahydro-1H-pyrazino[1,2-a]pyrazine-8-carboxylic acid;2,2-dimethylbutane
PubChem CID155708037
Molecular FormulaC23H34N6O2
Molecular Weight426.57 g/mol
Exact Mass426.27
IUPAC Name2-(7-cyanopyrazolo[1,5-a]pyridin-4-yl)-4-methyl-3,4,6,7,9,9a-hexahydro-1H-pyrazino[1,2-a]pyrazine-8-carboxylic acid;2,2-dimethylbutane
SMILESCC1CN(c2ccc(C#N)n3nccc23)CC2CN(C(=O)O)CCN12.CCC(C)(C)C
InChIInChI=1S/C17H20N6O2.C6H14/c1-12-9-21(11-14-10-20(17(24)25)6-7-22(12)14)15-3-2-13(8-18)23-16(15)4-5-19-23;1-5-6(2,3)4/h2-5,12,14H,6-7,9-11H2,1H3,(H,24,25);5H2,1-4H3
InChIKeyLFNVAOSFQZBNII-UHFFFAOYSA-N
XLogP3.52
TPSA88.11 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.57
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-(7-cyanopyrazolo[1,5-a]pyridin-4-yl)-4-methyl-3,4,6,7,9,9a-hexahydro-1H-pyrazino[1,2-a]pyrazine-8-carboxylic acid;2,2-dimethylbutane with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-(7-cyanopyrazolo[1,5-a]pyridin-4-yl)-4-methyl-3,4,6,7,9,9a-hexahydro-1H-pyrazino[1,2-a]pyrazine-8-carboxylic acid;2,2-dimethylbutane?
The IUPAC name of 2-(7-cyanopyrazolo[1,5-a]pyridin-4-yl)-4-methyl-3,4,6,7,9,9a-hexahydro-1H-pyrazino[1,2-a]pyrazine-8-carboxylic acid;2,2-dimethylbutane (CID 155708037) is 2-(7-cyanopyrazolo[1,5-a]pyridin-4-yl)-4-methyl-3,4,6,7,9,9a-hexahydro-1H-pyrazino[1,2-a]pyrazine-8-carboxylic acid;2,2-dimethylbutane.
What is the SMILES notation for 2-(7-cyanopyrazolo[1,5-a]pyridin-4-yl)-4-methyl-3,4,6,7,9,9a-hexahydro-1H-pyrazino[1,2-a]pyrazine-8-carboxylic acid;2,2-dimethylbutane?
The canonical SMILES for 2-(7-cyanopyrazolo[1,5-a]pyridin-4-yl)-4-methyl-3,4,6,7,9,9a-hexahydro-1H-pyrazino[1,2-a]pyrazine-8-carboxylic acid;2,2-dimethylbutane is CC1CN(c2ccc(C#N)n3nccc23)CC2CN(C(=O)O)CCN12.CCC(C)(C)C.
What is the InChIKey of 2-(7-cyanopyrazolo[1,5-a]pyridin-4-yl)-4-methyl-3,4,6,7,9,9a-hexahydro-1H-pyrazino[1,2-a]pyrazine-8-carboxylic acid;2,2-dimethylbutane?
The InChIKey is LFNVAOSFQZBNII-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N6O2.C6H14/c1-12-9-21(11-14-10-20(17(24)25)6-7-22(12)14)15-3-2-13(8-18)23-16(15)4-5-19-23;1-5-6(2,3)4/h2-5,12,14H,6-7,9-11H2,1H3,(H,24,25);5H2,1-4H3.
What are the key properties of 2-(7-cyanopyrazolo[1,5-a]pyridin-4-yl)-4-methyl-3,4,6,7,9,9a-hexahydro-1H-pyrazino[1,2-a]pyrazine-8-carboxylic acid;2,2-dimethylbutane?
2-(7-cyanopyrazolo[1,5-a]pyridin-4-yl)-4-methyl-3,4,6,7,9,9a-hexahydro-1H-pyrazino[1,2-a]pyrazine-8-carboxylic acid;2,2-dimethylbutane has a molecular weight of 426.57 g/mol, XLogP of 3.52, 1 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(7-cyanopyrazolo[1,5-a]pyridin-4-yl)-4-methyl-3,4,6,7,9,9a-hexahydro-1H-pyrazino[1,2-a]pyrazine-8-carboxylic acid;2,2-dimethylbutane is sourced from PubChem (CID 155708037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).