2-[6-(2,6-diazaspiro[3.3]heptan-2-yl)thieno[3,2-c]pyridazin-3-yl]phenol

C17H16N4OS — CID 170350168

IUPAC2-[6-(2,6-diazaspiro[3.3]heptan-2-yl)thieno[3,2-c]pyridazin-3-yl]phenol
SMILESOc1ccccc1-c1cc2sc(N3CC4(CNC4)C3)cc2nn1
InChIInChI=1S/C17H16N4OS/c22-14-4-2-1-3-11(14)12-5-15-13(20-19-12)6-16(23-15)21-9-17(10-21)7-18-8-17/h1-6,18,22H,7-10H2
InChIKeyVUZFUYJIVFKZPN-UHFFFAOYSA-N
MW324.41 g/mol
LogP2.47
Rot. Bonds2

About 2-[6-(2,6-diazaspiro[3.3]heptan-2-yl)thieno[3,2-c]pyridazin-3-yl]phenol

2-[6-(2,6-diazaspiro[3.3]heptan-2-yl)thieno[3,2-c]pyridazin-3-yl]phenol (PubChem CID 170350168) has the molecular formula C17H16N4OS and a molecular weight of 324.41 g/mol. Its IUPAC name is 2-[6-(2,6-diazaspiro[3.3]heptan-2-yl)thieno[3,2-c]pyridazin-3-yl]phenol.

Molecular Properties

Compound Name2-[6-(2,6-diazaspiro[3.3]heptan-2-yl)thieno[3,2-c]pyridazin-3-yl]phenol
PubChem CID170350168
Molecular FormulaC17H16N4OS
Molecular Weight324.41 g/mol
Exact Mass324.10
IUPAC Name2-[6-(2,6-diazaspiro[3.3]heptan-2-yl)thieno[3,2-c]pyridazin-3-yl]phenol
SMILESOc1ccccc1-c1cc2sc(N3CC4(CNC4)C3)cc2nn1
InChIInChI=1S/C17H16N4OS/c22-14-4-2-1-3-11(14)12-5-15-13(20-19-12)6-16(23-15)21-9-17(10-21)7-18-8-17/h1-6,18,22H,7-10H2
InChIKeyVUZFUYJIVFKZPN-UHFFFAOYSA-N
XLogP2.47
TPSA61.28 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.41
LogP ≤ 52.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 2-[6-(2,6-diazaspiro[3.3]heptan-2-yl)thieno[3,2-c]pyridazin-3-yl]phenol with MolForge

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Related Compounds

tert-butyl 2-[3-(2-hydroxyphenyl)thieno[3,2-c]pyridazin-6-yl]-7-azaspiro[3.5]nonane-7-carboxylate
CID 170349970
2-spiro[1,5,6,8-tetrazatricyclo[8.4.0.02,7]tetradeca-2,4,6-triene-12,3'-azetidine]-4-ylphenol
CID 156562291
2-[7-(azetidin-3-yl)cinnolin-3-yl]phenol
CID 170350851
2-[3-(2,6-diazaspiro[3.3]heptan-2-yl)-1,2,4-triazin-6-yl]-5-(1H-pyrazol-4-yl)phenol;dihydrochloride
CID 139536597
2-spiro[7,8-dihydro-5H-pyrazino[2,3-c]pyridazine-6,4'-piperidine]-3-ylphenol
CID 166478069
2-[6-(2,8-diazaspiro[3.5]nonan-2-yl)-[1,3]thiazolo[4,5-c]pyridazin-3-yl]-5-(1H-pyrazol-4-yl)phenol
CID 150654007
2,7-diazaspiro[3.4]octan-2-yl-[1-[6-(2-hydroxyphenyl)pyridazin-4-yl]-4-phenylpiperidin-4-yl]methanone
CID 172630727
[2-[6-(2,6-diazaspiro[3.3]heptan-2-yl)-[1,3]thiazolo[4,5-c]pyridazin-3-yl]-5-(5-fluoro-1H-pyrazol-4-yl)phenyl] formate
CID 152604576
2-[3-(2-hydroxyphenyl)-1H-pyrazol-5-yl]phenol
CID 136647220
1H-azirine;2-(1,3-benzothiazol-2-yl)phenol
CID 174888047
2-[4-[4-[4-(2-azaspiro[3.3]heptan-6-yl)piperazin-1-yl]cyclohexyl]-4,8,10,11-tetrazatricyclo[7.4.0.02,7]trideca-1(13),2(7),9,11-tetraen-12-yl]phenol
CID 170613261
8-[3-amino-6-(2-hydroxyphenyl)pyridazin-4-yl]-2,8-diazaspiro[4.5]decan-3-one
CID 137029575

Frequently Asked Questions

What is the IUPAC name of 2-[6-(2,6-diazaspiro[3.3]heptan-2-yl)thieno[3,2-c]pyridazin-3-yl]phenol?
The IUPAC name of 2-[6-(2,6-diazaspiro[3.3]heptan-2-yl)thieno[3,2-c]pyridazin-3-yl]phenol (CID 170350168) is 2-[6-(2,6-diazaspiro[3.3]heptan-2-yl)thieno[3,2-c]pyridazin-3-yl]phenol.
What is the SMILES notation for 2-[6-(2,6-diazaspiro[3.3]heptan-2-yl)thieno[3,2-c]pyridazin-3-yl]phenol?
The canonical SMILES for 2-[6-(2,6-diazaspiro[3.3]heptan-2-yl)thieno[3,2-c]pyridazin-3-yl]phenol is Oc1ccccc1-c1cc2sc(N3CC4(CNC4)C3)cc2nn1.
What is the InChIKey of 2-[6-(2,6-diazaspiro[3.3]heptan-2-yl)thieno[3,2-c]pyridazin-3-yl]phenol?
The InChIKey is VUZFUYJIVFKZPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N4OS/c22-14-4-2-1-3-11(14)12-5-15-13(20-19-12)6-16(23-15)21-9-17(10-21)7-18-8-17/h1-6,18,22H,7-10H2.
What are the key properties of 2-[6-(2,6-diazaspiro[3.3]heptan-2-yl)thieno[3,2-c]pyridazin-3-yl]phenol?
2-[6-(2,6-diazaspiro[3.3]heptan-2-yl)thieno[3,2-c]pyridazin-3-yl]phenol has a molecular weight of 324.41 g/mol, XLogP of 2.47, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-(2,6-diazaspiro[3.3]heptan-2-yl)thieno[3,2-c]pyridazin-3-yl]phenol is sourced from PubChem (CID 170350168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).