2-(5-ethylpyrazolo[1,5-a]pyrimidin-7-yl)-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine

C16H23N5 — CID 70729325

IUPAC2-(5-ethylpyrazolo[1,5-a]pyrimidin-7-yl)-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine
SMILESCCc1cc(N2CCN3CCCCC3C2)n2nccc2n1
InChIInChI=1S/C16H23N5/c1-2-13-11-16(21-15(18-13)6-7-17-21)20-10-9-19-8-4-3-5-14(19)12-20/h6-7,11,14H,2-5,8-10,12H2,1H3
InChIKeyGNMJPRQHZGGWDA-UHFFFAOYSA-N
MW285.39 g/mol
LogP1.97
Rot. Bonds2

About 2-(5-ethylpyrazolo[1,5-a]pyrimidin-7-yl)-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine

2-(5-ethylpyrazolo[1,5-a]pyrimidin-7-yl)-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine (PubChem CID 70729325) has the molecular formula C16H23N5 and a molecular weight of 285.39 g/mol. Its IUPAC name is 2-(5-ethylpyrazolo[1,5-a]pyrimidin-7-yl)-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine.

Molecular Properties

Compound Name2-(5-ethylpyrazolo[1,5-a]pyrimidin-7-yl)-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine
PubChem CID70729325
Molecular FormulaC16H23N5
Molecular Weight285.39 g/mol
Exact Mass285.20
IUPAC Name2-(5-ethylpyrazolo[1,5-a]pyrimidin-7-yl)-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine
SMILESCCc1cc(N2CCN3CCCCC3C2)n2nccc2n1
InChIInChI=1S/C16H23N5/c1-2-13-11-16(21-15(18-13)6-7-17-21)20-10-9-19-8-4-3-5-14(19)12-20/h6-7,11,14H,2-5,8-10,12H2,1H3
InChIKeyGNMJPRQHZGGWDA-UHFFFAOYSA-N
XLogP1.97
TPSA36.67 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.39
LogP ≤ 51.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(5-ethylpyrazolo[1,5-a]pyrimidin-7-yl)-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine?
The IUPAC name of 2-(5-ethylpyrazolo[1,5-a]pyrimidin-7-yl)-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine (CID 70729325) is 2-(5-ethylpyrazolo[1,5-a]pyrimidin-7-yl)-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine.
What is the SMILES notation for 2-(5-ethylpyrazolo[1,5-a]pyrimidin-7-yl)-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine?
The canonical SMILES for 2-(5-ethylpyrazolo[1,5-a]pyrimidin-7-yl)-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine is CCc1cc(N2CCN3CCCCC3C2)n2nccc2n1.
What is the InChIKey of 2-(5-ethylpyrazolo[1,5-a]pyrimidin-7-yl)-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine?
The InChIKey is GNMJPRQHZGGWDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N5/c1-2-13-11-16(21-15(18-13)6-7-17-21)20-10-9-19-8-4-3-5-14(19)12-20/h6-7,11,14H,2-5,8-10,12H2,1H3.
What are the key properties of 2-(5-ethylpyrazolo[1,5-a]pyrimidin-7-yl)-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine?
2-(5-ethylpyrazolo[1,5-a]pyrimidin-7-yl)-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine has a molecular weight of 285.39 g/mol, XLogP of 1.97, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-ethylpyrazolo[1,5-a]pyrimidin-7-yl)-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine is sourced from PubChem (CID 70729325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).