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

C25H34N6 — CID 155662115

IUPAC7-(2-bicyclo[2.2.1]hept-5-enylmethyl)-N-[6-(1,4-dimethylpyrazol-5-yl)pyridazin-3-yl]-7-azaspiro[3.5]nonan-2-amine
SMILESCc1cnn(C)c1-c1ccc(NC2CC3(CCN(CC4CC5C=CC4C5)CC3)C2)nn1
InChIInChI=1S/C25H34N6/c1-17-15-26-30(2)24(17)22-5-6-23(29-28-22)27-21-13-25(14-21)7-9-31(10-8-25)16-20-12-18-3-4-19(20)11-18/h3-6,15,18-21H,7-14,16H2,1-2H3,(H,27,29)
InChIKeyYIJCVJATOQWSRL-UHFFFAOYSA-N
MW418.59 g/mol
LogP4.05
Rot. Bonds5

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

7-(2-bicyclo[2.2.1]hept-5-enylmethyl)-N-[6-(1,4-dimethylpyrazol-5-yl)pyridazin-3-yl]-7-azaspiro[3.5]nonan-2-amine (PubChem CID 155662115) has the molecular formula C25H34N6 and a molecular weight of 418.59 g/mol. Its IUPAC name is 7-(2-bicyclo[2.2.1]hept-5-enylmethyl)-N-[6-(1,4-dimethylpyrazol-5-yl)pyridazin-3-yl]-7-azaspiro[3.5]nonan-2-amine.

Molecular Properties

Compound Name7-(2-bicyclo[2.2.1]hept-5-enylmethyl)-N-[6-(1,4-dimethylpyrazol-5-yl)pyridazin-3-yl]-7-azaspiro[3.5]nonan-2-amine
PubChem CID155662115
Molecular FormulaC25H34N6
Molecular Weight418.59 g/mol
Exact Mass418.28
IUPAC Name7-(2-bicyclo[2.2.1]hept-5-enylmethyl)-N-[6-(1,4-dimethylpyrazol-5-yl)pyridazin-3-yl]-7-azaspiro[3.5]nonan-2-amine
SMILESCc1cnn(C)c1-c1ccc(NC2CC3(CCN(CC4CC5C=CC4C5)CC3)C2)nn1
InChIInChI=1S/C25H34N6/c1-17-15-26-30(2)24(17)22-5-6-23(29-28-22)27-21-13-25(14-21)7-9-31(10-8-25)16-20-12-18-3-4-19(20)11-18/h3-6,15,18-21H,7-14,16H2,1-2H3,(H,27,29)
InChIKeyYIJCVJATOQWSRL-UHFFFAOYSA-N
XLogP4.05
TPSA58.87 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.59
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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

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Frequently Asked Questions

What is the IUPAC name of 7-(2-bicyclo[2.2.1]hept-5-enylmethyl)-N-[6-(1,4-dimethylpyrazol-5-yl)pyridazin-3-yl]-7-azaspiro[3.5]nonan-2-amine?
The IUPAC name of 7-(2-bicyclo[2.2.1]hept-5-enylmethyl)-N-[6-(1,4-dimethylpyrazol-5-yl)pyridazin-3-yl]-7-azaspiro[3.5]nonan-2-amine (CID 155662115) is 7-(2-bicyclo[2.2.1]hept-5-enylmethyl)-N-[6-(1,4-dimethylpyrazol-5-yl)pyridazin-3-yl]-7-azaspiro[3.5]nonan-2-amine.
What is the SMILES notation for 7-(2-bicyclo[2.2.1]hept-5-enylmethyl)-N-[6-(1,4-dimethylpyrazol-5-yl)pyridazin-3-yl]-7-azaspiro[3.5]nonan-2-amine?
The canonical SMILES for 7-(2-bicyclo[2.2.1]hept-5-enylmethyl)-N-[6-(1,4-dimethylpyrazol-5-yl)pyridazin-3-yl]-7-azaspiro[3.5]nonan-2-amine is Cc1cnn(C)c1-c1ccc(NC2CC3(CCN(CC4CC5C=CC4C5)CC3)C2)nn1.
What is the InChIKey of 7-(2-bicyclo[2.2.1]hept-5-enylmethyl)-N-[6-(1,4-dimethylpyrazol-5-yl)pyridazin-3-yl]-7-azaspiro[3.5]nonan-2-amine?
The InChIKey is YIJCVJATOQWSRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H34N6/c1-17-15-26-30(2)24(17)22-5-6-23(29-28-22)27-21-13-25(14-21)7-9-31(10-8-25)16-20-12-18-3-4-19(20)11-18/h3-6,15,18-21H,7-14,16H2,1-2H3,(H,27,29).
What are the key properties of 7-(2-bicyclo[2.2.1]hept-5-enylmethyl)-N-[6-(1,4-dimethylpyrazol-5-yl)pyridazin-3-yl]-7-azaspiro[3.5]nonan-2-amine?
7-(2-bicyclo[2.2.1]hept-5-enylmethyl)-N-[6-(1,4-dimethylpyrazol-5-yl)pyridazin-3-yl]-7-azaspiro[3.5]nonan-2-amine has a molecular weight of 418.59 g/mol, XLogP of 4.05, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(2-bicyclo[2.2.1]hept-5-enylmethyl)-N-[6-(1,4-dimethylpyrazol-5-yl)pyridazin-3-yl]-7-azaspiro[3.5]nonan-2-amine is sourced from PubChem (CID 155662115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).