3-[1-(1H-pyrazol-5-yl)pyrazolo[5,4-b]pyridin-6-yl]-8-oxa-3-azabicyclo[3.2.1]octane

C15H16N6O — CID 167442741

IUPAC3-[1-(1H-pyrazol-5-yl)pyrazolo[5,4-b]pyridin-6-yl]-8-oxa-3-azabicyclo[3.2.1]octane
SMILESc1cc(-n2ncc3ccc(N4CC5CCC(C4)O5)nc32)[nH]n1
InChIInChI=1S/C15H16N6O/c1-4-13(20-8-11-2-3-12(9-20)22-11)18-15-10(1)7-17-21(15)14-5-6-16-19-14/h1,4-7,11-12H,2-3,8-9H2,(H,16,19)
InChIKeyAGJSMMYIUGUCNU-UHFFFAOYSA-N
MW296.33 g/mol
LogP1.51
Rot. Bonds2

About 3-[1-(1H-pyrazol-5-yl)pyrazolo[5,4-b]pyridin-6-yl]-8-oxa-3-azabicyclo[3.2.1]octane

3-[1-(1H-pyrazol-5-yl)pyrazolo[5,4-b]pyridin-6-yl]-8-oxa-3-azabicyclo[3.2.1]octane (PubChem CID 167442741) has the molecular formula C15H16N6O and a molecular weight of 296.33 g/mol. Its IUPAC name is 3-[1-(1H-pyrazol-5-yl)pyrazolo[5,4-b]pyridin-6-yl]-8-oxa-3-azabicyclo[3.2.1]octane.

Molecular Properties

Compound Name3-[1-(1H-pyrazol-5-yl)pyrazolo[5,4-b]pyridin-6-yl]-8-oxa-3-azabicyclo[3.2.1]octane
PubChem CID167442741
Molecular FormulaC15H16N6O
Molecular Weight296.33 g/mol
Exact Mass296.14
IUPAC Name3-[1-(1H-pyrazol-5-yl)pyrazolo[5,4-b]pyridin-6-yl]-8-oxa-3-azabicyclo[3.2.1]octane
SMILESc1cc(-n2ncc3ccc(N4CC5CCC(C4)O5)nc32)[nH]n1
InChIInChI=1S/C15H16N6O/c1-4-13(20-8-11-2-3-12(9-20)22-11)18-15-10(1)7-17-21(15)14-5-6-16-19-14/h1,4-7,11-12H,2-3,8-9H2,(H,16,19)
InChIKeyAGJSMMYIUGUCNU-UHFFFAOYSA-N
XLogP1.51
TPSA71.86 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.33
LogP ≤ 51.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-[1-(1H-pyrazol-5-yl)pyrazolo[5,4-b]pyridin-6-yl]-8-oxa-3-azabicyclo[3.2.1]octane?
The IUPAC name of 3-[1-(1H-pyrazol-5-yl)pyrazolo[5,4-b]pyridin-6-yl]-8-oxa-3-azabicyclo[3.2.1]octane (CID 167442741) is 3-[1-(1H-pyrazol-5-yl)pyrazolo[5,4-b]pyridin-6-yl]-8-oxa-3-azabicyclo[3.2.1]octane.
What is the SMILES notation for 3-[1-(1H-pyrazol-5-yl)pyrazolo[5,4-b]pyridin-6-yl]-8-oxa-3-azabicyclo[3.2.1]octane?
The canonical SMILES for 3-[1-(1H-pyrazol-5-yl)pyrazolo[5,4-b]pyridin-6-yl]-8-oxa-3-azabicyclo[3.2.1]octane is c1cc(-n2ncc3ccc(N4CC5CCC(C4)O5)nc32)[nH]n1.
What is the InChIKey of 3-[1-(1H-pyrazol-5-yl)pyrazolo[5,4-b]pyridin-6-yl]-8-oxa-3-azabicyclo[3.2.1]octane?
The InChIKey is AGJSMMYIUGUCNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N6O/c1-4-13(20-8-11-2-3-12(9-20)22-11)18-15-10(1)7-17-21(15)14-5-6-16-19-14/h1,4-7,11-12H,2-3,8-9H2,(H,16,19).
What are the key properties of 3-[1-(1H-pyrazol-5-yl)pyrazolo[5,4-b]pyridin-6-yl]-8-oxa-3-azabicyclo[3.2.1]octane?
3-[1-(1H-pyrazol-5-yl)pyrazolo[5,4-b]pyridin-6-yl]-8-oxa-3-azabicyclo[3.2.1]octane has a molecular weight of 296.33 g/mol, XLogP of 1.51, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(1H-pyrazol-5-yl)pyrazolo[5,4-b]pyridin-6-yl]-8-oxa-3-azabicyclo[3.2.1]octane is sourced from PubChem (CID 167442741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).