2-(1,4-diazabicyclo[3.2.2]nonan-4-yl)-6-(1H-pyrazol-5-yl)-[1,3]oxazolo[4,5-b]pyridine

C16H18N6O — CID 11638154

IUPAC2-(1,4-diazabicyclo[3.2.2]nonan-4-yl)-6-(1H-pyrazol-5-yl)-[1,3]oxazolo[4,5-b]pyridine
SMILESc1cc(-c2cnc3nc(N4CCN5CCC4CC5)oc3c2)[nH]n1
InChIInChI=1S/C16H18N6O/c1-4-18-20-13(1)11-9-14-15(17-10-11)19-16(23-14)22-8-7-21-5-2-12(22)3-6-21/h1,4,9-10,12H,2-3,5-8H2,(H,18,20)
InChIKeyYIVPWPXEISZQBJ-UHFFFAOYSA-N
MW310.36 g/mol
LogP1.90
Rot. Bonds2

About 2-(1,4-diazabicyclo[3.2.2]nonan-4-yl)-6-(1H-pyrazol-5-yl)-[1,3]oxazolo[4,5-b]pyridine

2-(1,4-diazabicyclo[3.2.2]nonan-4-yl)-6-(1H-pyrazol-5-yl)-[1,3]oxazolo[4,5-b]pyridine (PubChem CID 11638154) has the molecular formula C16H18N6O and a molecular weight of 310.36 g/mol. Its IUPAC name is 2-(1,4-diazabicyclo[3.2.2]nonan-4-yl)-6-(1H-pyrazol-5-yl)-[1,3]oxazolo[4,5-b]pyridine.

Molecular Properties

Compound Name2-(1,4-diazabicyclo[3.2.2]nonan-4-yl)-6-(1H-pyrazol-5-yl)-[1,3]oxazolo[4,5-b]pyridine
PubChem CID11638154
Molecular FormulaC16H18N6O
Molecular Weight310.36 g/mol
Exact Mass310.15
IUPAC Name2-(1,4-diazabicyclo[3.2.2]nonan-4-yl)-6-(1H-pyrazol-5-yl)-[1,3]oxazolo[4,5-b]pyridine
SMILESc1cc(-c2cnc3nc(N4CCN5CCC4CC5)oc3c2)[nH]n1
InChIInChI=1S/C16H18N6O/c1-4-18-20-13(1)11-9-14-15(17-10-11)19-16(23-14)22-8-7-21-5-2-12(22)3-6-21/h1,4,9-10,12H,2-3,5-8H2,(H,18,20)
InChIKeyYIVPWPXEISZQBJ-UHFFFAOYSA-N
XLogP1.90
TPSA74.08 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.36
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(1,4-diazabicyclo[3.2.2]nonan-4-yl)-6-(1H-pyrazol-5-yl)-[1,3]oxazolo[4,5-b]pyridine?
The IUPAC name of 2-(1,4-diazabicyclo[3.2.2]nonan-4-yl)-6-(1H-pyrazol-5-yl)-[1,3]oxazolo[4,5-b]pyridine (CID 11638154) is 2-(1,4-diazabicyclo[3.2.2]nonan-4-yl)-6-(1H-pyrazol-5-yl)-[1,3]oxazolo[4,5-b]pyridine.
What is the SMILES notation for 2-(1,4-diazabicyclo[3.2.2]nonan-4-yl)-6-(1H-pyrazol-5-yl)-[1,3]oxazolo[4,5-b]pyridine?
The canonical SMILES for 2-(1,4-diazabicyclo[3.2.2]nonan-4-yl)-6-(1H-pyrazol-5-yl)-[1,3]oxazolo[4,5-b]pyridine is c1cc(-c2cnc3nc(N4CCN5CCC4CC5)oc3c2)[nH]n1.
What is the InChIKey of 2-(1,4-diazabicyclo[3.2.2]nonan-4-yl)-6-(1H-pyrazol-5-yl)-[1,3]oxazolo[4,5-b]pyridine?
The InChIKey is YIVPWPXEISZQBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N6O/c1-4-18-20-13(1)11-9-14-15(17-10-11)19-16(23-14)22-8-7-21-5-2-12(22)3-6-21/h1,4,9-10,12H,2-3,5-8H2,(H,18,20).
What are the key properties of 2-(1,4-diazabicyclo[3.2.2]nonan-4-yl)-6-(1H-pyrazol-5-yl)-[1,3]oxazolo[4,5-b]pyridine?
2-(1,4-diazabicyclo[3.2.2]nonan-4-yl)-6-(1H-pyrazol-5-yl)-[1,3]oxazolo[4,5-b]pyridine has a molecular weight of 310.36 g/mol, XLogP of 1.90, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,4-diazabicyclo[3.2.2]nonan-4-yl)-6-(1H-pyrazol-5-yl)-[1,3]oxazolo[4,5-b]pyridine is sourced from PubChem (CID 11638154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).