6-(2-methylpyrazolo[1,5-a]pyrazin-4-yl)-2,3,4,4a,5,7,8,8a-octahydro-1H-1,6-naphthyridine

C15H21N5 — CID 104733709

IUPAC6-(2-methylpyrazolo[1,5-a]pyrazin-4-yl)-2,3,4,4a,5,7,8,8a-octahydro-1H-1,6-naphthyridine
SMILESCc1cc2c(N3CCC4NCCCC4C3)nccn2n1
InChIInChI=1S/C15H21N5/c1-11-9-14-15(17-6-8-20(14)18-11)19-7-4-13-12(10-19)3-2-5-16-13/h6,8-9,12-13,16H,2-5,7,10H2,1H3
InChIKeyUEMPJYZTWBFFNG-UHFFFAOYSA-N
MW271.37 g/mol
LogP1.62
Rot. Bonds1

About 6-(2-methylpyrazolo[1,5-a]pyrazin-4-yl)-2,3,4,4a,5,7,8,8a-octahydro-1H-1,6-naphthyridine

6-(2-methylpyrazolo[1,5-a]pyrazin-4-yl)-2,3,4,4a,5,7,8,8a-octahydro-1H-1,6-naphthyridine (PubChem CID 104733709) has the molecular formula C15H21N5 and a molecular weight of 271.37 g/mol. Its IUPAC name is 6-(2-methylpyrazolo[1,5-a]pyrazin-4-yl)-2,3,4,4a,5,7,8,8a-octahydro-1H-1,6-naphthyridine.

Molecular Properties

Compound Name6-(2-methylpyrazolo[1,5-a]pyrazin-4-yl)-2,3,4,4a,5,7,8,8a-octahydro-1H-1,6-naphthyridine
PubChem CID104733709
Molecular FormulaC15H21N5
Molecular Weight271.37 g/mol
Exact Mass271.18
IUPAC Name6-(2-methylpyrazolo[1,5-a]pyrazin-4-yl)-2,3,4,4a,5,7,8,8a-octahydro-1H-1,6-naphthyridine
SMILESCc1cc2c(N3CCC4NCCCC4C3)nccn2n1
InChIInChI=1S/C15H21N5/c1-11-9-14-15(17-6-8-20(14)18-11)19-7-4-13-12(10-19)3-2-5-16-13/h6,8-9,12-13,16H,2-5,7,10H2,1H3
InChIKeyUEMPJYZTWBFFNG-UHFFFAOYSA-N
XLogP1.62
TPSA45.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.37
LogP ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-(2-methylpyrazolo[1,5-a]pyrazin-4-yl)-2,3,4,4a,5,7,8,8a-octahydro-1H-1,6-naphthyridine?
The IUPAC name of 6-(2-methylpyrazolo[1,5-a]pyrazin-4-yl)-2,3,4,4a,5,7,8,8a-octahydro-1H-1,6-naphthyridine (CID 104733709) is 6-(2-methylpyrazolo[1,5-a]pyrazin-4-yl)-2,3,4,4a,5,7,8,8a-octahydro-1H-1,6-naphthyridine.
What is the SMILES notation for 6-(2-methylpyrazolo[1,5-a]pyrazin-4-yl)-2,3,4,4a,5,7,8,8a-octahydro-1H-1,6-naphthyridine?
The canonical SMILES for 6-(2-methylpyrazolo[1,5-a]pyrazin-4-yl)-2,3,4,4a,5,7,8,8a-octahydro-1H-1,6-naphthyridine is Cc1cc2c(N3CCC4NCCCC4C3)nccn2n1.
What is the InChIKey of 6-(2-methylpyrazolo[1,5-a]pyrazin-4-yl)-2,3,4,4a,5,7,8,8a-octahydro-1H-1,6-naphthyridine?
The InChIKey is UEMPJYZTWBFFNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N5/c1-11-9-14-15(17-6-8-20(14)18-11)19-7-4-13-12(10-19)3-2-5-16-13/h6,8-9,12-13,16H,2-5,7,10H2,1H3.
What are the key properties of 6-(2-methylpyrazolo[1,5-a]pyrazin-4-yl)-2,3,4,4a,5,7,8,8a-octahydro-1H-1,6-naphthyridine?
6-(2-methylpyrazolo[1,5-a]pyrazin-4-yl)-2,3,4,4a,5,7,8,8a-octahydro-1H-1,6-naphthyridine has a molecular weight of 271.37 g/mol, XLogP of 1.62, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-methylpyrazolo[1,5-a]pyrazin-4-yl)-2,3,4,4a,5,7,8,8a-octahydro-1H-1,6-naphthyridine is sourced from PubChem (CID 104733709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).