2-[6-(1,7-diazaspiro[4.4]nonan-7-yl)pyridazin-3-yl]-5-pyrazol-1-ylphenol

C20H22N6O — CID 136598211

IUPAC2-[6-(1,7-diazaspiro[4.4]nonan-7-yl)pyridazin-3-yl]-5-pyrazol-1-ylphenol
SMILESOc1cc(-n2cccn2)ccc1-c1ccc(N2CCC3(CCCN3)C2)nn1
InChIInChI=1S/C20H22N6O/c27-18-13-15(26-11-2-10-22-26)3-4-16(18)17-5-6-19(24-23-17)25-12-8-20(14-25)7-1-9-21-20/h2-6,10-11,13,21,27H,1,7-9,12,14H2
InChIKeyFDDFUGAGCBKJRC-UHFFFAOYSA-N
MW362.44 g/mol
LogP2.37
Rot. Bonds3

About 2-[6-(1,7-diazaspiro[4.4]nonan-7-yl)pyridazin-3-yl]-5-pyrazol-1-ylphenol

2-[6-(1,7-diazaspiro[4.4]nonan-7-yl)pyridazin-3-yl]-5-pyrazol-1-ylphenol (PubChem CID 136598211) has the molecular formula C20H22N6O and a molecular weight of 362.44 g/mol. Its IUPAC name is 2-[6-(1,7-diazaspiro[4.4]nonan-7-yl)pyridazin-3-yl]-5-pyrazol-1-ylphenol.

Molecular Properties

Compound Name2-[6-(1,7-diazaspiro[4.4]nonan-7-yl)pyridazin-3-yl]-5-pyrazol-1-ylphenol
PubChem CID136598211
Molecular FormulaC20H22N6O
Molecular Weight362.44 g/mol
Exact Mass362.19
IUPAC Name2-[6-(1,7-diazaspiro[4.4]nonan-7-yl)pyridazin-3-yl]-5-pyrazol-1-ylphenol
SMILESOc1cc(-n2cccn2)ccc1-c1ccc(N2CCC3(CCCN3)C2)nn1
InChIInChI=1S/C20H22N6O/c27-18-13-15(26-11-2-10-22-26)3-4-16(18)17-5-6-19(24-23-17)25-12-8-20(14-25)7-1-9-21-20/h2-6,10-11,13,21,27H,1,7-9,12,14H2
InChIKeyFDDFUGAGCBKJRC-UHFFFAOYSA-N
XLogP2.37
TPSA79.10 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.44
LogP ≤ 52.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[6-(1,7-diazaspiro[4.4]nonan-7-yl)pyridazin-3-yl]-5-pyrazol-1-ylphenol?
The IUPAC name of 2-[6-(1,7-diazaspiro[4.4]nonan-7-yl)pyridazin-3-yl]-5-pyrazol-1-ylphenol (CID 136598211) is 2-[6-(1,7-diazaspiro[4.4]nonan-7-yl)pyridazin-3-yl]-5-pyrazol-1-ylphenol.
What is the SMILES notation for 2-[6-(1,7-diazaspiro[4.4]nonan-7-yl)pyridazin-3-yl]-5-pyrazol-1-ylphenol?
The canonical SMILES for 2-[6-(1,7-diazaspiro[4.4]nonan-7-yl)pyridazin-3-yl]-5-pyrazol-1-ylphenol is Oc1cc(-n2cccn2)ccc1-c1ccc(N2CCC3(CCCN3)C2)nn1.
What is the InChIKey of 2-[6-(1,7-diazaspiro[4.4]nonan-7-yl)pyridazin-3-yl]-5-pyrazol-1-ylphenol?
The InChIKey is FDDFUGAGCBKJRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N6O/c27-18-13-15(26-11-2-10-22-26)3-4-16(18)17-5-6-19(24-23-17)25-12-8-20(14-25)7-1-9-21-20/h2-6,10-11,13,21,27H,1,7-9,12,14H2.
What are the key properties of 2-[6-(1,7-diazaspiro[4.4]nonan-7-yl)pyridazin-3-yl]-5-pyrazol-1-ylphenol?
2-[6-(1,7-diazaspiro[4.4]nonan-7-yl)pyridazin-3-yl]-5-pyrazol-1-ylphenol has a molecular weight of 362.44 g/mol, XLogP of 2.37, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-(1,7-diazaspiro[4.4]nonan-7-yl)pyridazin-3-yl]-5-pyrazol-1-ylphenol is sourced from PubChem (CID 136598211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).