2-[6-(2,9-diazaspiro[4.5]decan-2-yl)pyridazin-3-yl]-5-(1H-pyrazol-4-yl)phenol

C21H24N6O — CID 136598257

IUPAC2-[6-(2,9-diazaspiro[4.5]decan-2-yl)pyridazin-3-yl]-5-(1H-pyrazol-4-yl)phenol
SMILESOc1cc(-c2cn[nH]c2)ccc1-c1ccc(N2CCC3(CCCNC3)C2)nn1
InChIInChI=1S/C21H24N6O/c28-19-10-15(16-11-23-24-12-16)2-3-17(19)18-4-5-20(26-25-18)27-9-7-21(14-27)6-1-8-22-13-21/h2-5,10-12,22,28H,1,6-9,13-14H2,(H,23,24)
InChIKeyRZKZALJPCPTXOQ-UHFFFAOYSA-N
MW376.46 g/mol
LogP2.82
Rot. Bonds3

About 2-[6-(2,9-diazaspiro[4.5]decan-2-yl)pyridazin-3-yl]-5-(1H-pyrazol-4-yl)phenol

2-[6-(2,9-diazaspiro[4.5]decan-2-yl)pyridazin-3-yl]-5-(1H-pyrazol-4-yl)phenol (PubChem CID 136598257) has the molecular formula C21H24N6O and a molecular weight of 376.46 g/mol. Its IUPAC name is 2-[6-(2,9-diazaspiro[4.5]decan-2-yl)pyridazin-3-yl]-5-(1H-pyrazol-4-yl)phenol.

Molecular Properties

Compound Name2-[6-(2,9-diazaspiro[4.5]decan-2-yl)pyridazin-3-yl]-5-(1H-pyrazol-4-yl)phenol
PubChem CID136598257
Molecular FormulaC21H24N6O
Molecular Weight376.46 g/mol
Exact Mass376.20
IUPAC Name2-[6-(2,9-diazaspiro[4.5]decan-2-yl)pyridazin-3-yl]-5-(1H-pyrazol-4-yl)phenol
SMILESOc1cc(-c2cn[nH]c2)ccc1-c1ccc(N2CCC3(CCCNC3)C2)nn1
InChIInChI=1S/C21H24N6O/c28-19-10-15(16-11-23-24-12-16)2-3-17(19)18-4-5-20(26-25-18)27-9-7-21(14-27)6-1-8-22-13-21/h2-5,10-12,22,28H,1,6-9,13-14H2,(H,23,24)
InChIKeyRZKZALJPCPTXOQ-UHFFFAOYSA-N
XLogP2.82
TPSA89.96 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.46
LogP ≤ 52.82
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

2-[5-[[(1R,2R,3S,5S)-2-fluoro-8-azabicyclo[3.2.1]octan-3-yl]-methylamino]pyrazin-2-yl]-5-(1H-pyrazol-4-yl)phenol
CID 154677055
2-[5-[[(1R,2S,3S,5S)-2-fluoro-1-methyl-8-azabicyclo[3.2.1]octan-3-yl]-methylamino]pyrazin-2-yl]-5-(1H-pyrazol-4-yl)phenol
CID 162644432
2-[6-[[(1R,2S,3S,5S)-2-fluoro-1-methyl-8-azabicyclo[3.2.1]octan-3-yl]-methylamino]pyridazin-3-yl]-5-(1-methylpyrazol-4-yl)phenol
CID 162644974
2-(6-((3aR,6aS)-hexahydropyrrolo[3,4-c]pyrrol-2(1H)-yl)pyridazin-3-yl)-5-(1H-pyrazol-4-yl)phenol
CID 136377184
Nvs-SM2
CID 136598218
5-(1H-Pyrazol-4-yl)-2-[6-[(2,2,6,6-tetramethyl-4-piperidinyl)methyl]-3-pyridazinyl]phenol
CID 136598251
2-[6-[[(1R,5S)-9-azabicyclo[3.3.1]nonan-3-yl]-methylamino]pyridazin-3-yl]-4-fluoro-5-(1H-pyrazol-4-yl)phenol
CID 137464784
2-[3-[[(1S,5R)-8-azabicyclo[3.2.1]octan-3-yl]-methylamino]-1,2,4-triazin-6-yl]-5-(1H-pyrazol-4-yl)phenol
CID 155772509
4-((5-(4-(1H-pyrazol-4-yl)phenyl)-1H-pyrazol-3-yl)amino)-2-fluoro-5-methylphenol
CID 139391971
US10308614, Example 52
CID 137029572
4-((5-(4-(1H-pyrazol-4-yl)phenyl)-1H-pyrazol-3-yl)amino)-3-methylphenol
CID 139391735
4-((5-(4-(1H-pyrazol-4-yl)phenyl)-1H-pyrazol-3-yl)amino-3-ethylphenol
CID 139391838

Frequently Asked Questions

What is the IUPAC name of 2-[6-(2,9-diazaspiro[4.5]decan-2-yl)pyridazin-3-yl]-5-(1H-pyrazol-4-yl)phenol?
The IUPAC name of 2-[6-(2,9-diazaspiro[4.5]decan-2-yl)pyridazin-3-yl]-5-(1H-pyrazol-4-yl)phenol (CID 136598257) is 2-[6-(2,9-diazaspiro[4.5]decan-2-yl)pyridazin-3-yl]-5-(1H-pyrazol-4-yl)phenol.
What is the SMILES notation for 2-[6-(2,9-diazaspiro[4.5]decan-2-yl)pyridazin-3-yl]-5-(1H-pyrazol-4-yl)phenol?
The canonical SMILES for 2-[6-(2,9-diazaspiro[4.5]decan-2-yl)pyridazin-3-yl]-5-(1H-pyrazol-4-yl)phenol is Oc1cc(-c2cn[nH]c2)ccc1-c1ccc(N2CCC3(CCCNC3)C2)nn1.
What is the InChIKey of 2-[6-(2,9-diazaspiro[4.5]decan-2-yl)pyridazin-3-yl]-5-(1H-pyrazol-4-yl)phenol?
The InChIKey is RZKZALJPCPTXOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N6O/c28-19-10-15(16-11-23-24-12-16)2-3-17(19)18-4-5-20(26-25-18)27-9-7-21(14-27)6-1-8-22-13-21/h2-5,10-12,22,28H,1,6-9,13-14H2,(H,23,24).
What are the key properties of 2-[6-(2,9-diazaspiro[4.5]decan-2-yl)pyridazin-3-yl]-5-(1H-pyrazol-4-yl)phenol?
2-[6-(2,9-diazaspiro[4.5]decan-2-yl)pyridazin-3-yl]-5-(1H-pyrazol-4-yl)phenol has a molecular weight of 376.46 g/mol, XLogP of 2.82, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-(2,9-diazaspiro[4.5]decan-2-yl)pyridazin-3-yl]-5-(1H-pyrazol-4-yl)phenol is sourced from PubChem (CID 136598257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).