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

C17H25N5 — CID 70766200

IUPAC2-(2,3,5-trimethylpyrazolo[1,5-a]pyrimidin-7-yl)-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine
SMILESCc1cc(N2CCN3CCCCC3C2)n2nc(C)c(C)c2n1
InChIInChI=1S/C17H25N5/c1-12-10-16(22-17(18-12)13(2)14(3)19-22)21-9-8-20-7-5-4-6-15(20)11-21/h10,15H,4-9,11H2,1-3H3
InChIKeySWRPKFMKIARTHV-UHFFFAOYSA-N
MW299.42 g/mol
LogP2.33
Rot. Bonds1

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

2-(2,3,5-trimethylpyrazolo[1,5-a]pyrimidin-7-yl)-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine (PubChem CID 70766200) has the molecular formula C17H25N5 and a molecular weight of 299.42 g/mol. Its IUPAC name is 2-(2,3,5-trimethylpyrazolo[1,5-a]pyrimidin-7-yl)-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine.

Molecular Properties

Compound Name2-(2,3,5-trimethylpyrazolo[1,5-a]pyrimidin-7-yl)-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine
PubChem CID70766200
Molecular FormulaC17H25N5
Molecular Weight299.42 g/mol
Exact Mass299.21
IUPAC Name2-(2,3,5-trimethylpyrazolo[1,5-a]pyrimidin-7-yl)-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine
SMILESCc1cc(N2CCN3CCCCC3C2)n2nc(C)c(C)c2n1
InChIInChI=1S/C17H25N5/c1-12-10-16(22-17(18-12)13(2)14(3)19-22)21-9-8-20-7-5-4-6-15(20)11-21/h10,15H,4-9,11H2,1-3H3
InChIKeySWRPKFMKIARTHV-UHFFFAOYSA-N
XLogP2.33
TPSA36.67 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.42
LogP ≤ 52.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(2,3,5-trimethylpyrazolo[1,5-a]pyrimidin-7-yl)-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine?
The IUPAC name of 2-(2,3,5-trimethylpyrazolo[1,5-a]pyrimidin-7-yl)-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine (CID 70766200) is 2-(2,3,5-trimethylpyrazolo[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-(2,3,5-trimethylpyrazolo[1,5-a]pyrimidin-7-yl)-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine?
The canonical SMILES for 2-(2,3,5-trimethylpyrazolo[1,5-a]pyrimidin-7-yl)-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine is Cc1cc(N2CCN3CCCCC3C2)n2nc(C)c(C)c2n1.
What is the InChIKey of 2-(2,3,5-trimethylpyrazolo[1,5-a]pyrimidin-7-yl)-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine?
The InChIKey is SWRPKFMKIARTHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N5/c1-12-10-16(22-17(18-12)13(2)14(3)19-22)21-9-8-20-7-5-4-6-15(20)11-21/h10,15H,4-9,11H2,1-3H3.
What are the key properties of 2-(2,3,5-trimethylpyrazolo[1,5-a]pyrimidin-7-yl)-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine?
2-(2,3,5-trimethylpyrazolo[1,5-a]pyrimidin-7-yl)-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine has a molecular weight of 299.42 g/mol, XLogP of 2.33, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3,5-trimethylpyrazolo[1,5-a]pyrimidin-7-yl)-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine is sourced from PubChem (CID 70766200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).