[6-(2-hydroxyethyl)pyrazolo[1,5-a]pyrimidin-3-yl]-(8-methyl-3,4,6,7,9,9a-hexahydro-1H-pyrazino[1,2-a]pyrazin-2-yl)methanone

C17H24N6O2 — CID 50962046

IUPAC[6-(2-hydroxyethyl)pyrazolo[1,5-a]pyrimidin-3-yl]-(8-methyl-3,4,6,7,9,9a-hexahydro-1H-pyrazino[1,2-a]pyrazin-2-yl)methanone
SMILESCN1CCN2CCN(C(=O)c3cnn4cc(CCO)cnc34)CC2C1
InChIInChI=1S/C17H24N6O2/c1-20-3-4-21-5-6-22(12-14(21)11-20)17(25)15-9-19-23-10-13(2-7-24)8-18-16(15)23/h8-10,14,24H,2-7,11-12H2,1H3
InChIKeyWDBUNEFMUDGDKI-UHFFFAOYSA-N
MW344.42 g/mol
LogP-0.66
Rot. Bonds3

About [6-(2-hydroxyethyl)pyrazolo[1,5-a]pyrimidin-3-yl]-(8-methyl-3,4,6,7,9,9a-hexahydro-1H-pyrazino[1,2-a]pyrazin-2-yl)methanone

[6-(2-hydroxyethyl)pyrazolo[1,5-a]pyrimidin-3-yl]-(8-methyl-3,4,6,7,9,9a-hexahydro-1H-pyrazino[1,2-a]pyrazin-2-yl)methanone (PubChem CID 50962046) has the molecular formula C17H24N6O2 and a molecular weight of 344.42 g/mol. Its IUPAC name is [6-(2-hydroxyethyl)pyrazolo[1,5-a]pyrimidin-3-yl]-(8-methyl-3,4,6,7,9,9a-hexahydro-1H-pyrazino[1,2-a]pyrazin-2-yl)methanone.

Molecular Properties

Compound Name[6-(2-hydroxyethyl)pyrazolo[1,5-a]pyrimidin-3-yl]-(8-methyl-3,4,6,7,9,9a-hexahydro-1H-pyrazino[1,2-a]pyrazin-2-yl)methanone
PubChem CID50962046
Molecular FormulaC17H24N6O2
Molecular Weight344.42 g/mol
Exact Mass344.20
IUPAC Name[6-(2-hydroxyethyl)pyrazolo[1,5-a]pyrimidin-3-yl]-(8-methyl-3,4,6,7,9,9a-hexahydro-1H-pyrazino[1,2-a]pyrazin-2-yl)methanone
SMILESCN1CCN2CCN(C(=O)c3cnn4cc(CCO)cnc34)CC2C1
InChIInChI=1S/C17H24N6O2/c1-20-3-4-21-5-6-22(12-14(21)11-20)17(25)15-9-19-23-10-13(2-7-24)8-18-16(15)23/h8-10,14,24H,2-7,11-12H2,1H3
InChIKeyWDBUNEFMUDGDKI-UHFFFAOYSA-N
XLogP-0.66
TPSA77.21 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.42
LogP ≤ 5-0.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze [6-(2-hydroxyethyl)pyrazolo[1,5-a]pyrimidin-3-yl]-(8-methyl-3,4,6,7,9,9a-hexahydro-1H-pyrazino[1,2-a]pyrazin-2-yl)methanone with MolForge

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Frequently Asked Questions

What is the IUPAC name of [6-(2-hydroxyethyl)pyrazolo[1,5-a]pyrimidin-3-yl]-(8-methyl-3,4,6,7,9,9a-hexahydro-1H-pyrazino[1,2-a]pyrazin-2-yl)methanone?
The IUPAC name of [6-(2-hydroxyethyl)pyrazolo[1,5-a]pyrimidin-3-yl]-(8-methyl-3,4,6,7,9,9a-hexahydro-1H-pyrazino[1,2-a]pyrazin-2-yl)methanone (CID 50962046) is [6-(2-hydroxyethyl)pyrazolo[1,5-a]pyrimidin-3-yl]-(8-methyl-3,4,6,7,9,9a-hexahydro-1H-pyrazino[1,2-a]pyrazin-2-yl)methanone.
What is the SMILES notation for [6-(2-hydroxyethyl)pyrazolo[1,5-a]pyrimidin-3-yl]-(8-methyl-3,4,6,7,9,9a-hexahydro-1H-pyrazino[1,2-a]pyrazin-2-yl)methanone?
The canonical SMILES for [6-(2-hydroxyethyl)pyrazolo[1,5-a]pyrimidin-3-yl]-(8-methyl-3,4,6,7,9,9a-hexahydro-1H-pyrazino[1,2-a]pyrazin-2-yl)methanone is CN1CCN2CCN(C(=O)c3cnn4cc(CCO)cnc34)CC2C1.
What is the InChIKey of [6-(2-hydroxyethyl)pyrazolo[1,5-a]pyrimidin-3-yl]-(8-methyl-3,4,6,7,9,9a-hexahydro-1H-pyrazino[1,2-a]pyrazin-2-yl)methanone?
The InChIKey is WDBUNEFMUDGDKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N6O2/c1-20-3-4-21-5-6-22(12-14(21)11-20)17(25)15-9-19-23-10-13(2-7-24)8-18-16(15)23/h8-10,14,24H,2-7,11-12H2,1H3.
What are the key properties of [6-(2-hydroxyethyl)pyrazolo[1,5-a]pyrimidin-3-yl]-(8-methyl-3,4,6,7,9,9a-hexahydro-1H-pyrazino[1,2-a]pyrazin-2-yl)methanone?
[6-(2-hydroxyethyl)pyrazolo[1,5-a]pyrimidin-3-yl]-(8-methyl-3,4,6,7,9,9a-hexahydro-1H-pyrazino[1,2-a]pyrazin-2-yl)methanone has a molecular weight of 344.42 g/mol, XLogP of -0.66, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [6-(2-hydroxyethyl)pyrazolo[1,5-a]pyrimidin-3-yl]-(8-methyl-3,4,6,7,9,9a-hexahydro-1H-pyrazino[1,2-a]pyrazin-2-yl)methanone is sourced from PubChem (CID 50962046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).