6-(1-methyl-1,7-diazaspiro[4.4]nonan-7-yl)thieno[2,3-b]pyridine-2-carbaldehyde

C16H19N3OS — CID 177202429

IUPAC6-(1-methyl-1,7-diazaspiro[4.4]nonan-7-yl)thieno[2,3-b]pyridine-2-carbaldehyde
SMILESCN1CCCC12CCN(c1ccc3cc(C=O)sc3n1)C2
InChIInChI=1S/C16H19N3OS/c1-18-7-2-5-16(18)6-8-19(11-16)14-4-3-12-9-13(10-20)21-15(12)17-14/h3-4,9-10H,2,5-8,11H2,1H3
InChIKeyDTQRYWMXSHIMLD-UHFFFAOYSA-N
MW301.41 g/mol
LogP2.78
Rot. Bonds2

About 6-(1-methyl-1,7-diazaspiro[4.4]nonan-7-yl)thieno[2,3-b]pyridine-2-carbaldehyde

6-(1-methyl-1,7-diazaspiro[4.4]nonan-7-yl)thieno[2,3-b]pyridine-2-carbaldehyde (PubChem CID 177202429) has the molecular formula C16H19N3OS and a molecular weight of 301.41 g/mol. Its IUPAC name is 6-(1-methyl-1,7-diazaspiro[4.4]nonan-7-yl)thieno[2,3-b]pyridine-2-carbaldehyde.

Molecular Properties

Compound Name6-(1-methyl-1,7-diazaspiro[4.4]nonan-7-yl)thieno[2,3-b]pyridine-2-carbaldehyde
PubChem CID177202429
Molecular FormulaC16H19N3OS
Molecular Weight301.41 g/mol
Exact Mass301.12
IUPAC Name6-(1-methyl-1,7-diazaspiro[4.4]nonan-7-yl)thieno[2,3-b]pyridine-2-carbaldehyde
SMILESCN1CCCC12CCN(c1ccc3cc(C=O)sc3n1)C2
InChIInChI=1S/C16H19N3OS/c1-18-7-2-5-16(18)6-8-19(11-16)14-4-3-12-9-13(10-20)21-15(12)17-14/h3-4,9-10H,2,5-8,11H2,1H3
InChIKeyDTQRYWMXSHIMLD-UHFFFAOYSA-N
XLogP2.78
TPSA36.44 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.41
LogP ≤ 52.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-(1-methyl-1,7-diazaspiro[4.4]nonan-7-yl)thieno[2,3-b]pyridine-2-carbaldehyde?
The IUPAC name of 6-(1-methyl-1,7-diazaspiro[4.4]nonan-7-yl)thieno[2,3-b]pyridine-2-carbaldehyde (CID 177202429) is 6-(1-methyl-1,7-diazaspiro[4.4]nonan-7-yl)thieno[2,3-b]pyridine-2-carbaldehyde.
What is the SMILES notation for 6-(1-methyl-1,7-diazaspiro[4.4]nonan-7-yl)thieno[2,3-b]pyridine-2-carbaldehyde?
The canonical SMILES for 6-(1-methyl-1,7-diazaspiro[4.4]nonan-7-yl)thieno[2,3-b]pyridine-2-carbaldehyde is CN1CCCC12CCN(c1ccc3cc(C=O)sc3n1)C2.
What is the InChIKey of 6-(1-methyl-1,7-diazaspiro[4.4]nonan-7-yl)thieno[2,3-b]pyridine-2-carbaldehyde?
The InChIKey is DTQRYWMXSHIMLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3OS/c1-18-7-2-5-16(18)6-8-19(11-16)14-4-3-12-9-13(10-20)21-15(12)17-14/h3-4,9-10H,2,5-8,11H2,1H3.
What are the key properties of 6-(1-methyl-1,7-diazaspiro[4.4]nonan-7-yl)thieno[2,3-b]pyridine-2-carbaldehyde?
6-(1-methyl-1,7-diazaspiro[4.4]nonan-7-yl)thieno[2,3-b]pyridine-2-carbaldehyde has a molecular weight of 301.41 g/mol, XLogP of 2.78, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(1-methyl-1,7-diazaspiro[4.4]nonan-7-yl)thieno[2,3-b]pyridine-2-carbaldehyde is sourced from PubChem (CID 177202429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).