3,5-dipyridin-3-yl-2,3,3a,4,5,6,7,7a-octahydro-1H-pyrazolo[3,4-c]pyridine

C16H19N5 — CID 78054676

IUPAC3,5-dipyridin-3-yl-2,3,3a,4,5,6,7,7a-octahydro-1H-pyrazolo[3,4-c]pyridine
SMILESc1cncc(C2CC3C(CN2)NNC3c2cccnc2)c1
InChIInChI=1S/C16H19N5/c1-3-11(8-17-5-1)14-7-13-15(10-19-14)20-21-16(13)12-4-2-6-18-9-12/h1-6,8-9,13-16,19-21H,7,10H2
InChIKeyYUVUWAXJPHKHBG-UHFFFAOYSA-N
MW281.36 g/mol
LogP1.34
Rot. Bonds2

About 3,5-dipyridin-3-yl-2,3,3a,4,5,6,7,7a-octahydro-1H-pyrazolo[3,4-c]pyridine

3,5-dipyridin-3-yl-2,3,3a,4,5,6,7,7a-octahydro-1H-pyrazolo[3,4-c]pyridine (PubChem CID 78054676) has the molecular formula C16H19N5 and a molecular weight of 281.36 g/mol. Its IUPAC name is 3,5-dipyridin-3-yl-2,3,3a,4,5,6,7,7a-octahydro-1H-pyrazolo[3,4-c]pyridine.

Molecular Properties

Compound Name3,5-dipyridin-3-yl-2,3,3a,4,5,6,7,7a-octahydro-1H-pyrazolo[3,4-c]pyridine
PubChem CID78054676
Molecular FormulaC16H19N5
Molecular Weight281.36 g/mol
Exact Mass281.16
IUPAC Name3,5-dipyridin-3-yl-2,3,3a,4,5,6,7,7a-octahydro-1H-pyrazolo[3,4-c]pyridine
SMILESc1cncc(C2CC3C(CN2)NNC3c2cccnc2)c1
InChIInChI=1S/C16H19N5/c1-3-11(8-17-5-1)14-7-13-15(10-19-14)20-21-16(13)12-4-2-6-18-9-12/h1-6,8-9,13-16,19-21H,7,10H2
InChIKeyYUVUWAXJPHKHBG-UHFFFAOYSA-N
XLogP1.34
TPSA61.87 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.36
LogP ≤ 51.34
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3,5-dipyridin-3-yl-2,3,3a,4,5,6,7,7a-octahydro-1H-pyrazolo[3,4-c]pyridine?
The IUPAC name of 3,5-dipyridin-3-yl-2,3,3a,4,5,6,7,7a-octahydro-1H-pyrazolo[3,4-c]pyridine (CID 78054676) is 3,5-dipyridin-3-yl-2,3,3a,4,5,6,7,7a-octahydro-1H-pyrazolo[3,4-c]pyridine.
What is the SMILES notation for 3,5-dipyridin-3-yl-2,3,3a,4,5,6,7,7a-octahydro-1H-pyrazolo[3,4-c]pyridine?
The canonical SMILES for 3,5-dipyridin-3-yl-2,3,3a,4,5,6,7,7a-octahydro-1H-pyrazolo[3,4-c]pyridine is c1cncc(C2CC3C(CN2)NNC3c2cccnc2)c1.
What is the InChIKey of 3,5-dipyridin-3-yl-2,3,3a,4,5,6,7,7a-octahydro-1H-pyrazolo[3,4-c]pyridine?
The InChIKey is YUVUWAXJPHKHBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N5/c1-3-11(8-17-5-1)14-7-13-15(10-19-14)20-21-16(13)12-4-2-6-18-9-12/h1-6,8-9,13-16,19-21H,7,10H2.
What are the key properties of 3,5-dipyridin-3-yl-2,3,3a,4,5,6,7,7a-octahydro-1H-pyrazolo[3,4-c]pyridine?
3,5-dipyridin-3-yl-2,3,3a,4,5,6,7,7a-octahydro-1H-pyrazolo[3,4-c]pyridine has a molecular weight of 281.36 g/mol, XLogP of 1.34, 2 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dipyridin-3-yl-2,3,3a,4,5,6,7,7a-octahydro-1H-pyrazolo[3,4-c]pyridine is sourced from PubChem (CID 78054676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).