8-(1-methylpyrazol-4-yl)sulfonyl-3-pyridin-3-yloxy-8-azabicyclo[3.2.1]octane

C16H20N4O3S — CID 121020920

IUPAC8-(1-methylpyrazol-4-yl)sulfonyl-3-pyridin-3-yloxy-8-azabicyclo[3.2.1]octane
SMILESCn1cc(S(=O)(=O)N2C3CCC2CC(Oc2cccnc2)C3)cn1
InChIInChI=1S/C16H20N4O3S/c1-19-11-16(10-18-19)24(21,22)20-12-4-5-13(20)8-15(7-12)23-14-3-2-6-17-9-14/h2-3,6,9-13,15H,4-5,7-8H2,1H3
InChIKeyAJTCYYBJBNLWCA-UHFFFAOYSA-N
MW348.43 g/mol
LogP1.58
Rot. Bonds4

About 8-(1-methylpyrazol-4-yl)sulfonyl-3-pyridin-3-yloxy-8-azabicyclo[3.2.1]octane

8-(1-methylpyrazol-4-yl)sulfonyl-3-pyridin-3-yloxy-8-azabicyclo[3.2.1]octane (PubChem CID 121020920) has the molecular formula C16H20N4O3S and a molecular weight of 348.43 g/mol. Its IUPAC name is 8-(1-methylpyrazol-4-yl)sulfonyl-3-pyridin-3-yloxy-8-azabicyclo[3.2.1]octane.

Molecular Properties

Compound Name8-(1-methylpyrazol-4-yl)sulfonyl-3-pyridin-3-yloxy-8-azabicyclo[3.2.1]octane
PubChem CID121020920
Molecular FormulaC16H20N4O3S
Molecular Weight348.43 g/mol
Exact Mass348.13
IUPAC Name8-(1-methylpyrazol-4-yl)sulfonyl-3-pyridin-3-yloxy-8-azabicyclo[3.2.1]octane
SMILESCn1cc(S(=O)(=O)N2C3CCC2CC(Oc2cccnc2)C3)cn1
InChIInChI=1S/C16H20N4O3S/c1-19-11-16(10-18-19)24(21,22)20-12-4-5-13(20)8-15(7-12)23-14-3-2-6-17-9-14/h2-3,6,9-13,15H,4-5,7-8H2,1H3
InChIKeyAJTCYYBJBNLWCA-UHFFFAOYSA-N
XLogP1.58
TPSA77.32 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.43
LogP ≤ 51.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 8-(1-methylpyrazol-4-yl)sulfonyl-3-pyridin-3-yloxy-8-azabicyclo[3.2.1]octane 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 8-(1-methylpyrazol-4-yl)sulfonyl-3-pyridin-3-yloxy-8-azabicyclo[3.2.1]octane?
The IUPAC name of 8-(1-methylpyrazol-4-yl)sulfonyl-3-pyridin-3-yloxy-8-azabicyclo[3.2.1]octane (CID 121020920) is 8-(1-methylpyrazol-4-yl)sulfonyl-3-pyridin-3-yloxy-8-azabicyclo[3.2.1]octane.
What is the SMILES notation for 8-(1-methylpyrazol-4-yl)sulfonyl-3-pyridin-3-yloxy-8-azabicyclo[3.2.1]octane?
The canonical SMILES for 8-(1-methylpyrazol-4-yl)sulfonyl-3-pyridin-3-yloxy-8-azabicyclo[3.2.1]octane is Cn1cc(S(=O)(=O)N2C3CCC2CC(Oc2cccnc2)C3)cn1.
What is the InChIKey of 8-(1-methylpyrazol-4-yl)sulfonyl-3-pyridin-3-yloxy-8-azabicyclo[3.2.1]octane?
The InChIKey is AJTCYYBJBNLWCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4O3S/c1-19-11-16(10-18-19)24(21,22)20-12-4-5-13(20)8-15(7-12)23-14-3-2-6-17-9-14/h2-3,6,9-13,15H,4-5,7-8H2,1H3.
What are the key properties of 8-(1-methylpyrazol-4-yl)sulfonyl-3-pyridin-3-yloxy-8-azabicyclo[3.2.1]octane?
8-(1-methylpyrazol-4-yl)sulfonyl-3-pyridin-3-yloxy-8-azabicyclo[3.2.1]octane has a molecular weight of 348.43 g/mol, XLogP of 1.58, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(1-methylpyrazol-4-yl)sulfonyl-3-pyridin-3-yloxy-8-azabicyclo[3.2.1]octane is sourced from PubChem (CID 121020920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).