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

C24H38N6 — CID 138562238

IUPACN-[6-(1,4-dimethylpyrazol-5-yl)pyridazin-3-yl]-7-(2,3,3-trimethylbutyl)-7-azaspiro[3.5]nonan-2-amine
SMILESCc1cnn(C)c1-c1ccc(NC2CC3(CCN(CC(C)C(C)(C)C)CC3)C2)nn1
InChIInChI=1S/C24H38N6/c1-17-15-25-29(6)22(17)20-7-8-21(28-27-20)26-19-13-24(14-19)9-11-30(12-10-24)16-18(2)23(3,4)5/h7-8,15,18-19H,9-14,16H2,1-6H3,(H,26,28)
InChIKeyOBVWUXKZMLLVDC-UHFFFAOYSA-N
MW410.61 g/mol
LogP4.52
Rot. Bonds5

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

N-[6-(1,4-dimethylpyrazol-5-yl)pyridazin-3-yl]-7-(2,3,3-trimethylbutyl)-7-azaspiro[3.5]nonan-2-amine (PubChem CID 138562238) has the molecular formula C24H38N6 and a molecular weight of 410.61 g/mol. Its IUPAC name is N-[6-(1,4-dimethylpyrazol-5-yl)pyridazin-3-yl]-7-(2,3,3-trimethylbutyl)-7-azaspiro[3.5]nonan-2-amine.

Molecular Properties

Compound NameN-[6-(1,4-dimethylpyrazol-5-yl)pyridazin-3-yl]-7-(2,3,3-trimethylbutyl)-7-azaspiro[3.5]nonan-2-amine
PubChem CID138562238
Molecular FormulaC24H38N6
Molecular Weight410.61 g/mol
Exact Mass410.32
IUPAC NameN-[6-(1,4-dimethylpyrazol-5-yl)pyridazin-3-yl]-7-(2,3,3-trimethylbutyl)-7-azaspiro[3.5]nonan-2-amine
SMILESCc1cnn(C)c1-c1ccc(NC2CC3(CCN(CC(C)C(C)(C)C)CC3)C2)nn1
InChIInChI=1S/C24H38N6/c1-17-15-25-29(6)22(17)20-7-8-21(28-27-20)26-19-13-24(14-19)9-11-30(12-10-24)16-18(2)23(3,4)5/h7-8,15,18-19H,9-14,16H2,1-6H3,(H,26,28)
InChIKeyOBVWUXKZMLLVDC-UHFFFAOYSA-N
XLogP4.52
TPSA58.87 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.61
LogP ≤ 54.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[6-(1,4-dimethylpyrazol-5-yl)pyridazin-3-yl]-7-(2,3,3-trimethylbutyl)-7-azaspiro[3.5]nonan-2-amine?
The IUPAC name of N-[6-(1,4-dimethylpyrazol-5-yl)pyridazin-3-yl]-7-(2,3,3-trimethylbutyl)-7-azaspiro[3.5]nonan-2-amine (CID 138562238) is N-[6-(1,4-dimethylpyrazol-5-yl)pyridazin-3-yl]-7-(2,3,3-trimethylbutyl)-7-azaspiro[3.5]nonan-2-amine.
What is the SMILES notation for N-[6-(1,4-dimethylpyrazol-5-yl)pyridazin-3-yl]-7-(2,3,3-trimethylbutyl)-7-azaspiro[3.5]nonan-2-amine?
The canonical SMILES for N-[6-(1,4-dimethylpyrazol-5-yl)pyridazin-3-yl]-7-(2,3,3-trimethylbutyl)-7-azaspiro[3.5]nonan-2-amine is Cc1cnn(C)c1-c1ccc(NC2CC3(CCN(CC(C)C(C)(C)C)CC3)C2)nn1.
What is the InChIKey of N-[6-(1,4-dimethylpyrazol-5-yl)pyridazin-3-yl]-7-(2,3,3-trimethylbutyl)-7-azaspiro[3.5]nonan-2-amine?
The InChIKey is OBVWUXKZMLLVDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H38N6/c1-17-15-25-29(6)22(17)20-7-8-21(28-27-20)26-19-13-24(14-19)9-11-30(12-10-24)16-18(2)23(3,4)5/h7-8,15,18-19H,9-14,16H2,1-6H3,(H,26,28).
What are the key properties of N-[6-(1,4-dimethylpyrazol-5-yl)pyridazin-3-yl]-7-(2,3,3-trimethylbutyl)-7-azaspiro[3.5]nonan-2-amine?
N-[6-(1,4-dimethylpyrazol-5-yl)pyridazin-3-yl]-7-(2,3,3-trimethylbutyl)-7-azaspiro[3.5]nonan-2-amine has a molecular weight of 410.61 g/mol, XLogP of 4.52, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(1,4-dimethylpyrazol-5-yl)pyridazin-3-yl]-7-(2,3,3-trimethylbutyl)-7-azaspiro[3.5]nonan-2-amine is sourced from PubChem (CID 138562238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).