N-[6-(1,4-dimethylpyrazol-5-yl)pyridazin-3-yl]-7-(oxan-4-ylmethyl)-7-azaspiro[3.5]nonan-2-amine

C23H34N6O — CID 138562182

IUPACN-[6-(1,4-dimethylpyrazol-5-yl)pyridazin-3-yl]-7-(oxan-4-ylmethyl)-7-azaspiro[3.5]nonan-2-amine
SMILESCc1cnn(C)c1-c1ccc(NC2CC3(CCN(CC4CCOCC4)CC3)C2)nn1
InChIInChI=1S/C23H34N6O/c1-17-15-24-28(2)22(17)20-3-4-21(27-26-20)25-19-13-23(14-19)7-9-29(10-8-23)16-18-5-11-30-12-6-18/h3-4,15,18-19H,5-14,16H2,1-2H3,(H,25,27)
InChIKeyDFZGOMORSVVTDF-UHFFFAOYSA-N
MW410.57 g/mol
LogP3.27
Rot. Bonds5

About N-[6-(1,4-dimethylpyrazol-5-yl)pyridazin-3-yl]-7-(oxan-4-ylmethyl)-7-azaspiro[3.5]nonan-2-amine

N-[6-(1,4-dimethylpyrazol-5-yl)pyridazin-3-yl]-7-(oxan-4-ylmethyl)-7-azaspiro[3.5]nonan-2-amine (PubChem CID 138562182) has the molecular formula C23H34N6O and a molecular weight of 410.57 g/mol. Its IUPAC name is N-[6-(1,4-dimethylpyrazol-5-yl)pyridazin-3-yl]-7-(oxan-4-ylmethyl)-7-azaspiro[3.5]nonan-2-amine.

Molecular Properties

Compound NameN-[6-(1,4-dimethylpyrazol-5-yl)pyridazin-3-yl]-7-(oxan-4-ylmethyl)-7-azaspiro[3.5]nonan-2-amine
PubChem CID138562182
Molecular FormulaC23H34N6O
Molecular Weight410.57 g/mol
Exact Mass410.28
IUPAC NameN-[6-(1,4-dimethylpyrazol-5-yl)pyridazin-3-yl]-7-(oxan-4-ylmethyl)-7-azaspiro[3.5]nonan-2-amine
SMILESCc1cnn(C)c1-c1ccc(NC2CC3(CCN(CC4CCOCC4)CC3)C2)nn1
InChIInChI=1S/C23H34N6O/c1-17-15-24-28(2)22(17)20-3-4-21(27-26-20)25-19-13-23(14-19)7-9-29(10-8-23)16-18-5-11-30-12-6-18/h3-4,15,18-19H,5-14,16H2,1-2H3,(H,25,27)
InChIKeyDFZGOMORSVVTDF-UHFFFAOYSA-N
XLogP3.27
TPSA68.10 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.57
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze N-[6-(1,4-dimethylpyrazol-5-yl)pyridazin-3-yl]-7-(oxan-4-ylmethyl)-7-azaspiro[3.5]nonan-2-amine 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 N-[6-(1,4-dimethylpyrazol-5-yl)pyridazin-3-yl]-7-(oxan-4-ylmethyl)-7-azaspiro[3.5]nonan-2-amine?
The IUPAC name of N-[6-(1,4-dimethylpyrazol-5-yl)pyridazin-3-yl]-7-(oxan-4-ylmethyl)-7-azaspiro[3.5]nonan-2-amine (CID 138562182) is N-[6-(1,4-dimethylpyrazol-5-yl)pyridazin-3-yl]-7-(oxan-4-ylmethyl)-7-azaspiro[3.5]nonan-2-amine.
What is the SMILES notation for N-[6-(1,4-dimethylpyrazol-5-yl)pyridazin-3-yl]-7-(oxan-4-ylmethyl)-7-azaspiro[3.5]nonan-2-amine?
The canonical SMILES for N-[6-(1,4-dimethylpyrazol-5-yl)pyridazin-3-yl]-7-(oxan-4-ylmethyl)-7-azaspiro[3.5]nonan-2-amine is Cc1cnn(C)c1-c1ccc(NC2CC3(CCN(CC4CCOCC4)CC3)C2)nn1.
What is the InChIKey of N-[6-(1,4-dimethylpyrazol-5-yl)pyridazin-3-yl]-7-(oxan-4-ylmethyl)-7-azaspiro[3.5]nonan-2-amine?
The InChIKey is DFZGOMORSVVTDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H34N6O/c1-17-15-24-28(2)22(17)20-3-4-21(27-26-20)25-19-13-23(14-19)7-9-29(10-8-23)16-18-5-11-30-12-6-18/h3-4,15,18-19H,5-14,16H2,1-2H3,(H,25,27).
What are the key properties of N-[6-(1,4-dimethylpyrazol-5-yl)pyridazin-3-yl]-7-(oxan-4-ylmethyl)-7-azaspiro[3.5]nonan-2-amine?
N-[6-(1,4-dimethylpyrazol-5-yl)pyridazin-3-yl]-7-(oxan-4-ylmethyl)-7-azaspiro[3.5]nonan-2-amine has a molecular weight of 410.57 g/mol, XLogP of 3.27, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(1,4-dimethylpyrazol-5-yl)pyridazin-3-yl]-7-(oxan-4-ylmethyl)-7-azaspiro[3.5]nonan-2-amine is sourced from PubChem (CID 138562182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).