6-(4,4-dimethylpentan-2-yl)-N-[6-(1,4-dimethylpyrazol-5-yl)pyridazin-3-yl]-6-azaspiro[2.5]octane-2-carboxamide

C24H36N6O — CID 152675294

IUPAC6-(4,4-dimethylpentan-2-yl)-N-[6-(1,4-dimethylpyrazol-5-yl)pyridazin-3-yl]-6-azaspiro[2.5]octane-2-carboxamide
SMILESCc1cnn(C)c1-c1ccc(NC(=O)C2CC23CCN(C(C)CC(C)(C)C)CC3)nn1
InChIInChI=1S/C24H36N6O/c1-16-15-25-29(6)21(16)19-7-8-20(28-27-19)26-22(31)18-14-24(18)9-11-30(12-10-24)17(2)13-23(3,4)5/h7-8,15,17-18H,9-14H2,1-6H3,(H,26,28,31)
InChIKeyZMJXXTXMVJJXOC-UHFFFAOYSA-N
MW424.59 g/mol
LogP4.05
Rot. Bonds5

About 6-(4,4-dimethylpentan-2-yl)-N-[6-(1,4-dimethylpyrazol-5-yl)pyridazin-3-yl]-6-azaspiro[2.5]octane-2-carboxamide

6-(4,4-dimethylpentan-2-yl)-N-[6-(1,4-dimethylpyrazol-5-yl)pyridazin-3-yl]-6-azaspiro[2.5]octane-2-carboxamide (PubChem CID 152675294) has the molecular formula C24H36N6O and a molecular weight of 424.59 g/mol. Its IUPAC name is 6-(4,4-dimethylpentan-2-yl)-N-[6-(1,4-dimethylpyrazol-5-yl)pyridazin-3-yl]-6-azaspiro[2.5]octane-2-carboxamide.

Molecular Properties

Compound Name6-(4,4-dimethylpentan-2-yl)-N-[6-(1,4-dimethylpyrazol-5-yl)pyridazin-3-yl]-6-azaspiro[2.5]octane-2-carboxamide
PubChem CID152675294
Molecular FormulaC24H36N6O
Molecular Weight424.59 g/mol
Exact Mass424.30
IUPAC Name6-(4,4-dimethylpentan-2-yl)-N-[6-(1,4-dimethylpyrazol-5-yl)pyridazin-3-yl]-6-azaspiro[2.5]octane-2-carboxamide
SMILESCc1cnn(C)c1-c1ccc(NC(=O)C2CC23CCN(C(C)CC(C)(C)C)CC3)nn1
InChIInChI=1S/C24H36N6O/c1-16-15-25-29(6)21(16)19-7-8-20(28-27-19)26-22(31)18-14-24(18)9-11-30(12-10-24)17(2)13-23(3,4)5/h7-8,15,17-18H,9-14H2,1-6H3,(H,26,28,31)
InChIKeyZMJXXTXMVJJXOC-UHFFFAOYSA-N
XLogP4.05
TPSA75.94 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.59
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-(4,4-dimethylpentan-2-yl)-N-[6-(1,4-dimethylpyrazol-5-yl)pyridazin-3-yl]-6-azaspiro[2.5]octane-2-carboxamide?
The IUPAC name of 6-(4,4-dimethylpentan-2-yl)-N-[6-(1,4-dimethylpyrazol-5-yl)pyridazin-3-yl]-6-azaspiro[2.5]octane-2-carboxamide (CID 152675294) is 6-(4,4-dimethylpentan-2-yl)-N-[6-(1,4-dimethylpyrazol-5-yl)pyridazin-3-yl]-6-azaspiro[2.5]octane-2-carboxamide.
What is the SMILES notation for 6-(4,4-dimethylpentan-2-yl)-N-[6-(1,4-dimethylpyrazol-5-yl)pyridazin-3-yl]-6-azaspiro[2.5]octane-2-carboxamide?
The canonical SMILES for 6-(4,4-dimethylpentan-2-yl)-N-[6-(1,4-dimethylpyrazol-5-yl)pyridazin-3-yl]-6-azaspiro[2.5]octane-2-carboxamide is Cc1cnn(C)c1-c1ccc(NC(=O)C2CC23CCN(C(C)CC(C)(C)C)CC3)nn1.
What is the InChIKey of 6-(4,4-dimethylpentan-2-yl)-N-[6-(1,4-dimethylpyrazol-5-yl)pyridazin-3-yl]-6-azaspiro[2.5]octane-2-carboxamide?
The InChIKey is ZMJXXTXMVJJXOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H36N6O/c1-16-15-25-29(6)21(16)19-7-8-20(28-27-19)26-22(31)18-14-24(18)9-11-30(12-10-24)17(2)13-23(3,4)5/h7-8,15,17-18H,9-14H2,1-6H3,(H,26,28,31).
What are the key properties of 6-(4,4-dimethylpentan-2-yl)-N-[6-(1,4-dimethylpyrazol-5-yl)pyridazin-3-yl]-6-azaspiro[2.5]octane-2-carboxamide?
6-(4,4-dimethylpentan-2-yl)-N-[6-(1,4-dimethylpyrazol-5-yl)pyridazin-3-yl]-6-azaspiro[2.5]octane-2-carboxamide has a molecular weight of 424.59 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 6-(4,4-dimethylpentan-2-yl)-N-[6-(1,4-dimethylpyrazol-5-yl)pyridazin-3-yl]-6-azaspiro[2.5]octane-2-carboxamide is sourced from PubChem (CID 152675294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).