6-amino-8,8-dimethyl-2-(pyrazolo[1,5-b]pyridazine-3-carbonyl)-2-azaspiro[3.5]non-5-en-7-one

C17H19N5O2 — CID 162442437

IUPAC6-amino-8,8-dimethyl-2-(pyrazolo[1,5-b]pyridazine-3-carbonyl)-2-azaspiro[3.5]non-5-en-7-one
SMILESCC1(C)CC2(C=C(N)C1=O)CN(C(=O)c1cnn3ncccc13)C2
InChIInChI=1S/C17H19N5O2/c1-16(2)8-17(6-12(18)14(16)23)9-21(10-17)15(24)11-7-20-22-13(11)4-3-5-19-22/h3-7H,8-10,18H2,1-2H3
InChIKeyAQCBIGJVCQZQSX-UHFFFAOYSA-N
MW325.37 g/mol
LogP1.01
Rot. Bonds1

About 6-amino-8,8-dimethyl-2-(pyrazolo[1,5-b]pyridazine-3-carbonyl)-2-azaspiro[3.5]non-5-en-7-one

6-amino-8,8-dimethyl-2-(pyrazolo[1,5-b]pyridazine-3-carbonyl)-2-azaspiro[3.5]non-5-en-7-one (PubChem CID 162442437) has the molecular formula C17H19N5O2 and a molecular weight of 325.37 g/mol. Its IUPAC name is 6-amino-8,8-dimethyl-2-(pyrazolo[1,5-b]pyridazine-3-carbonyl)-2-azaspiro[3.5]non-5-en-7-one.

Molecular Properties

Compound Name6-amino-8,8-dimethyl-2-(pyrazolo[1,5-b]pyridazine-3-carbonyl)-2-azaspiro[3.5]non-5-en-7-one
PubChem CID162442437
Molecular FormulaC17H19N5O2
Molecular Weight325.37 g/mol
Exact Mass325.15
IUPAC Name6-amino-8,8-dimethyl-2-(pyrazolo[1,5-b]pyridazine-3-carbonyl)-2-azaspiro[3.5]non-5-en-7-one
SMILESCC1(C)CC2(C=C(N)C1=O)CN(C(=O)c1cnn3ncccc13)C2
InChIInChI=1S/C17H19N5O2/c1-16(2)8-17(6-12(18)14(16)23)9-21(10-17)15(24)11-7-20-22-13(11)4-3-5-19-22/h3-7H,8-10,18H2,1-2H3
InChIKeyAQCBIGJVCQZQSX-UHFFFAOYSA-N
XLogP1.01
TPSA93.59 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.37
LogP ≤ 51.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-amino-8,8-dimethyl-2-(pyrazolo[1,5-b]pyridazine-3-carbonyl)-2-azaspiro[3.5]non-5-en-7-one?
The IUPAC name of 6-amino-8,8-dimethyl-2-(pyrazolo[1,5-b]pyridazine-3-carbonyl)-2-azaspiro[3.5]non-5-en-7-one (CID 162442437) is 6-amino-8,8-dimethyl-2-(pyrazolo[1,5-b]pyridazine-3-carbonyl)-2-azaspiro[3.5]non-5-en-7-one.
What is the SMILES notation for 6-amino-8,8-dimethyl-2-(pyrazolo[1,5-b]pyridazine-3-carbonyl)-2-azaspiro[3.5]non-5-en-7-one?
The canonical SMILES for 6-amino-8,8-dimethyl-2-(pyrazolo[1,5-b]pyridazine-3-carbonyl)-2-azaspiro[3.5]non-5-en-7-one is CC1(C)CC2(C=C(N)C1=O)CN(C(=O)c1cnn3ncccc13)C2.
What is the InChIKey of 6-amino-8,8-dimethyl-2-(pyrazolo[1,5-b]pyridazine-3-carbonyl)-2-azaspiro[3.5]non-5-en-7-one?
The InChIKey is AQCBIGJVCQZQSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N5O2/c1-16(2)8-17(6-12(18)14(16)23)9-21(10-17)15(24)11-7-20-22-13(11)4-3-5-19-22/h3-7H,8-10,18H2,1-2H3.
What are the key properties of 6-amino-8,8-dimethyl-2-(pyrazolo[1,5-b]pyridazine-3-carbonyl)-2-azaspiro[3.5]non-5-en-7-one?
6-amino-8,8-dimethyl-2-(pyrazolo[1,5-b]pyridazine-3-carbonyl)-2-azaspiro[3.5]non-5-en-7-one has a molecular weight of 325.37 g/mol, XLogP of 1.01, 1 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-8,8-dimethyl-2-(pyrazolo[1,5-b]pyridazine-3-carbonyl)-2-azaspiro[3.5]non-5-en-7-one is sourced from PubChem (CID 162442437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).