N-[[7-(2-bicyclo[2.2.1]hept-5-enylmethyl)-7-azaspiro[3.5]nonan-2-yl]methyl]-6-(1,3-dimethylpyrazol-4-yl)pyridazin-3-amine

C26H36N6 — CID 138562553

IUPACN-[[7-(2-bicyclo[2.2.1]hept-5-enylmethyl)-7-azaspiro[3.5]nonan-2-yl]methyl]-6-(1,3-dimethylpyrazol-4-yl)pyridazin-3-amine
SMILESCc1nn(C)cc1-c1ccc(NCC2CC3(CCN(CC4CC5C=CC4C5)CC3)C2)nn1
InChIInChI=1S/C26H36N6/c1-18-23(17-31(2)30-18)24-5-6-25(29-28-24)27-15-20-13-26(14-20)7-9-32(10-8-26)16-22-12-19-3-4-21(22)11-19/h3-6,17,19-22H,7-16H2,1-2H3,(H,27,29)
InChIKeyJFYXAOUFUDGZAE-UHFFFAOYSA-N
MW432.62 g/mol
LogP4.30
Rot. Bonds6

About N-[[7-(2-bicyclo[2.2.1]hept-5-enylmethyl)-7-azaspiro[3.5]nonan-2-yl]methyl]-6-(1,3-dimethylpyrazol-4-yl)pyridazin-3-amine

N-[[7-(2-bicyclo[2.2.1]hept-5-enylmethyl)-7-azaspiro[3.5]nonan-2-yl]methyl]-6-(1,3-dimethylpyrazol-4-yl)pyridazin-3-amine (PubChem CID 138562553) has the molecular formula C26H36N6 and a molecular weight of 432.62 g/mol. Its IUPAC name is N-[[7-(2-bicyclo[2.2.1]hept-5-enylmethyl)-7-azaspiro[3.5]nonan-2-yl]methyl]-6-(1,3-dimethylpyrazol-4-yl)pyridazin-3-amine.

Molecular Properties

Compound NameN-[[7-(2-bicyclo[2.2.1]hept-5-enylmethyl)-7-azaspiro[3.5]nonan-2-yl]methyl]-6-(1,3-dimethylpyrazol-4-yl)pyridazin-3-amine
PubChem CID138562553
Molecular FormulaC26H36N6
Molecular Weight432.62 g/mol
Exact Mass432.30
IUPAC NameN-[[7-(2-bicyclo[2.2.1]hept-5-enylmethyl)-7-azaspiro[3.5]nonan-2-yl]methyl]-6-(1,3-dimethylpyrazol-4-yl)pyridazin-3-amine
SMILESCc1nn(C)cc1-c1ccc(NCC2CC3(CCN(CC4CC5C=CC4C5)CC3)C2)nn1
InChIInChI=1S/C26H36N6/c1-18-23(17-31(2)30-18)24-5-6-25(29-28-24)27-15-20-13-26(14-20)7-9-32(10-8-26)16-22-12-19-3-4-21(22)11-19/h3-6,17,19-22H,7-16H2,1-2H3,(H,27,29)
InChIKeyJFYXAOUFUDGZAE-UHFFFAOYSA-N
XLogP4.30
TPSA58.87 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.62
LogP ≤ 54.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze N-[[7-(2-bicyclo[2.2.1]hept-5-enylmethyl)-7-azaspiro[3.5]nonan-2-yl]methyl]-6-(1,3-dimethylpyrazol-4-yl)pyridazin-3-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[[7-(2-bicyclo[2.2.1]hept-5-enylmethyl)-7-azaspiro[3.5]nonan-2-yl]methyl]-6-(1,3-dimethylpyrazol-4-yl)pyridazin-3-amine?
The IUPAC name of N-[[7-(2-bicyclo[2.2.1]hept-5-enylmethyl)-7-azaspiro[3.5]nonan-2-yl]methyl]-6-(1,3-dimethylpyrazol-4-yl)pyridazin-3-amine (CID 138562553) is N-[[7-(2-bicyclo[2.2.1]hept-5-enylmethyl)-7-azaspiro[3.5]nonan-2-yl]methyl]-6-(1,3-dimethylpyrazol-4-yl)pyridazin-3-amine.
What is the SMILES notation for N-[[7-(2-bicyclo[2.2.1]hept-5-enylmethyl)-7-azaspiro[3.5]nonan-2-yl]methyl]-6-(1,3-dimethylpyrazol-4-yl)pyridazin-3-amine?
The canonical SMILES for N-[[7-(2-bicyclo[2.2.1]hept-5-enylmethyl)-7-azaspiro[3.5]nonan-2-yl]methyl]-6-(1,3-dimethylpyrazol-4-yl)pyridazin-3-amine is Cc1nn(C)cc1-c1ccc(NCC2CC3(CCN(CC4CC5C=CC4C5)CC3)C2)nn1.
What is the InChIKey of N-[[7-(2-bicyclo[2.2.1]hept-5-enylmethyl)-7-azaspiro[3.5]nonan-2-yl]methyl]-6-(1,3-dimethylpyrazol-4-yl)pyridazin-3-amine?
The InChIKey is JFYXAOUFUDGZAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H36N6/c1-18-23(17-31(2)30-18)24-5-6-25(29-28-24)27-15-20-13-26(14-20)7-9-32(10-8-26)16-22-12-19-3-4-21(22)11-19/h3-6,17,19-22H,7-16H2,1-2H3,(H,27,29).
What are the key properties of N-[[7-(2-bicyclo[2.2.1]hept-5-enylmethyl)-7-azaspiro[3.5]nonan-2-yl]methyl]-6-(1,3-dimethylpyrazol-4-yl)pyridazin-3-amine?
N-[[7-(2-bicyclo[2.2.1]hept-5-enylmethyl)-7-azaspiro[3.5]nonan-2-yl]methyl]-6-(1,3-dimethylpyrazol-4-yl)pyridazin-3-amine has a molecular weight of 432.62 g/mol, XLogP of 4.30, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[7-(2-bicyclo[2.2.1]hept-5-enylmethyl)-7-azaspiro[3.5]nonan-2-yl]methyl]-6-(1,3-dimethylpyrazol-4-yl)pyridazin-3-amine is sourced from PubChem (CID 138562553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).