6-(azepan-1-yl)-5-(1,4,6,7-tetrahydropyrazolo[4,5-c]pyridin-5-yl)-[1,2,5]oxadiazolo[3,4-b]pyrazine

C16H20N8O — CID 29182474

IUPAC6-(azepan-1-yl)-5-(1,4,6,7-tetrahydropyrazolo[4,5-c]pyridin-5-yl)-[1,2,5]oxadiazolo[3,4-b]pyrazine
SMILESc1n[nH]c2c1CN(c1nc3nonc3nc1N1CCCCCC1)CC2
InChIInChI=1S/C16H20N8O/c1-2-4-7-23(6-3-1)15-16(19-14-13(18-15)21-25-22-14)24-8-5-12-11(10-24)9-17-20-12/h9H,1-8,10H2,(H,17,20)
InChIKeyNNWLYXLIZIXEPS-UHFFFAOYSA-N
MW340.39 g/mol
LogP1.68
Rot. Bonds2

About 6-(azepan-1-yl)-5-(1,4,6,7-tetrahydropyrazolo[4,5-c]pyridin-5-yl)-[1,2,5]oxadiazolo[3,4-b]pyrazine

6-(azepan-1-yl)-5-(1,4,6,7-tetrahydropyrazolo[4,5-c]pyridin-5-yl)-[1,2,5]oxadiazolo[3,4-b]pyrazine (PubChem CID 29182474) has the molecular formula C16H20N8O and a molecular weight of 340.39 g/mol. Its IUPAC name is 6-(azepan-1-yl)-5-(1,4,6,7-tetrahydropyrazolo[4,5-c]pyridin-5-yl)-[1,2,5]oxadiazolo[3,4-b]pyrazine.

Molecular Properties

Compound Name6-(azepan-1-yl)-5-(1,4,6,7-tetrahydropyrazolo[4,5-c]pyridin-5-yl)-[1,2,5]oxadiazolo[3,4-b]pyrazine
PubChem CID29182474
Molecular FormulaC16H20N8O
Molecular Weight340.39 g/mol
Exact Mass340.18
IUPAC Name6-(azepan-1-yl)-5-(1,4,6,7-tetrahydropyrazolo[4,5-c]pyridin-5-yl)-[1,2,5]oxadiazolo[3,4-b]pyrazine
SMILESc1n[nH]c2c1CN(c1nc3nonc3nc1N1CCCCCC1)CC2
InChIInChI=1S/C16H20N8O/c1-2-4-7-23(6-3-1)15-16(19-14-13(18-15)21-25-22-14)24-8-5-12-11(10-24)9-17-20-12/h9H,1-8,10H2,(H,17,20)
InChIKeyNNWLYXLIZIXEPS-UHFFFAOYSA-N
XLogP1.68
TPSA99.86 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.39
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 6-(azepan-1-yl)-5-(1,4,6,7-tetrahydropyrazolo[4,5-c]pyridin-5-yl)-[1,2,5]oxadiazolo[3,4-b]pyrazine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 6-(azepan-1-yl)-5-(1,4,6,7-tetrahydropyrazolo[4,5-c]pyridin-5-yl)-[1,2,5]oxadiazolo[3,4-b]pyrazine?
The IUPAC name of 6-(azepan-1-yl)-5-(1,4,6,7-tetrahydropyrazolo[4,5-c]pyridin-5-yl)-[1,2,5]oxadiazolo[3,4-b]pyrazine (CID 29182474) is 6-(azepan-1-yl)-5-(1,4,6,7-tetrahydropyrazolo[4,5-c]pyridin-5-yl)-[1,2,5]oxadiazolo[3,4-b]pyrazine.
What is the SMILES notation for 6-(azepan-1-yl)-5-(1,4,6,7-tetrahydropyrazolo[4,5-c]pyridin-5-yl)-[1,2,5]oxadiazolo[3,4-b]pyrazine?
The canonical SMILES for 6-(azepan-1-yl)-5-(1,4,6,7-tetrahydropyrazolo[4,5-c]pyridin-5-yl)-[1,2,5]oxadiazolo[3,4-b]pyrazine is c1n[nH]c2c1CN(c1nc3nonc3nc1N1CCCCCC1)CC2.
What is the InChIKey of 6-(azepan-1-yl)-5-(1,4,6,7-tetrahydropyrazolo[4,5-c]pyridin-5-yl)-[1,2,5]oxadiazolo[3,4-b]pyrazine?
The InChIKey is NNWLYXLIZIXEPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N8O/c1-2-4-7-23(6-3-1)15-16(19-14-13(18-15)21-25-22-14)24-8-5-12-11(10-24)9-17-20-12/h9H,1-8,10H2,(H,17,20).
What are the key properties of 6-(azepan-1-yl)-5-(1,4,6,7-tetrahydropyrazolo[4,5-c]pyridin-5-yl)-[1,2,5]oxadiazolo[3,4-b]pyrazine?
6-(azepan-1-yl)-5-(1,4,6,7-tetrahydropyrazolo[4,5-c]pyridin-5-yl)-[1,2,5]oxadiazolo[3,4-b]pyrazine has a molecular weight of 340.39 g/mol, XLogP of 1.68, 2 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(azepan-1-yl)-5-(1,4,6,7-tetrahydropyrazolo[4,5-c]pyridin-5-yl)-[1,2,5]oxadiazolo[3,4-b]pyrazine is sourced from PubChem (CID 29182474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).