7-(1-methylpyrazolo[5,4-b]pyridin-6-yl)oxy-2-azaspiro[3.5]nonane-2-carbaldehyde

C16H20N4O2 — CID 168874889

IUPAC7-(1-methylpyrazolo[5,4-b]pyridin-6-yl)oxy-2-azaspiro[3.5]nonane-2-carbaldehyde
SMILESCn1ncc2ccc(OC3CCC4(CC3)CN(C=O)C4)nc21
InChIInChI=1S/C16H20N4O2/c1-19-15-12(8-17-19)2-3-14(18-15)22-13-4-6-16(7-5-13)9-20(10-16)11-21/h2-3,8,11,13H,4-7,9-10H2,1H3
InChIKeyLLONKTNNSVSKSW-UHFFFAOYSA-N
MW300.36 g/mol
LogP1.75
Rot. Bonds3

About 7-(1-methylpyrazolo[5,4-b]pyridin-6-yl)oxy-2-azaspiro[3.5]nonane-2-carbaldehyde

7-(1-methylpyrazolo[5,4-b]pyridin-6-yl)oxy-2-azaspiro[3.5]nonane-2-carbaldehyde (PubChem CID 168874889) has the molecular formula C16H20N4O2 and a molecular weight of 300.36 g/mol. Its IUPAC name is 7-(1-methylpyrazolo[5,4-b]pyridin-6-yl)oxy-2-azaspiro[3.5]nonane-2-carbaldehyde.

Molecular Properties

Compound Name7-(1-methylpyrazolo[5,4-b]pyridin-6-yl)oxy-2-azaspiro[3.5]nonane-2-carbaldehyde
PubChem CID168874889
Molecular FormulaC16H20N4O2
Molecular Weight300.36 g/mol
Exact Mass300.16
IUPAC Name7-(1-methylpyrazolo[5,4-b]pyridin-6-yl)oxy-2-azaspiro[3.5]nonane-2-carbaldehyde
SMILESCn1ncc2ccc(OC3CCC4(CC3)CN(C=O)C4)nc21
InChIInChI=1S/C16H20N4O2/c1-19-15-12(8-17-19)2-3-14(18-15)22-13-4-6-16(7-5-13)9-20(10-16)11-21/h2-3,8,11,13H,4-7,9-10H2,1H3
InChIKeyLLONKTNNSVSKSW-UHFFFAOYSA-N
XLogP1.75
TPSA60.25 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.36
LogP ≤ 51.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

Analyze 7-(1-methylpyrazolo[5,4-b]pyridin-6-yl)oxy-2-azaspiro[3.5]nonane-2-carbaldehyde 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 7-(1-methylpyrazolo[5,4-b]pyridin-6-yl)oxy-2-azaspiro[3.5]nonane-2-carbaldehyde?
The IUPAC name of 7-(1-methylpyrazolo[5,4-b]pyridin-6-yl)oxy-2-azaspiro[3.5]nonane-2-carbaldehyde (CID 168874889) is 7-(1-methylpyrazolo[5,4-b]pyridin-6-yl)oxy-2-azaspiro[3.5]nonane-2-carbaldehyde.
What is the SMILES notation for 7-(1-methylpyrazolo[5,4-b]pyridin-6-yl)oxy-2-azaspiro[3.5]nonane-2-carbaldehyde?
The canonical SMILES for 7-(1-methylpyrazolo[5,4-b]pyridin-6-yl)oxy-2-azaspiro[3.5]nonane-2-carbaldehyde is Cn1ncc2ccc(OC3CCC4(CC3)CN(C=O)C4)nc21.
What is the InChIKey of 7-(1-methylpyrazolo[5,4-b]pyridin-6-yl)oxy-2-azaspiro[3.5]nonane-2-carbaldehyde?
The InChIKey is LLONKTNNSVSKSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4O2/c1-19-15-12(8-17-19)2-3-14(18-15)22-13-4-6-16(7-5-13)9-20(10-16)11-21/h2-3,8,11,13H,4-7,9-10H2,1H3.
What are the key properties of 7-(1-methylpyrazolo[5,4-b]pyridin-6-yl)oxy-2-azaspiro[3.5]nonane-2-carbaldehyde?
7-(1-methylpyrazolo[5,4-b]pyridin-6-yl)oxy-2-azaspiro[3.5]nonane-2-carbaldehyde has a molecular weight of 300.36 g/mol, XLogP of 1.75, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(1-methylpyrazolo[5,4-b]pyridin-6-yl)oxy-2-azaspiro[3.5]nonane-2-carbaldehyde is sourced from PubChem (CID 168874889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).