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

C18H17N3OS — CID 170350008

IUPAC2-[6-(2-azaspiro[3.3]heptan-6-yl)thieno[2,3-c]pyridazin-3-yl]phenol
SMILESOc1ccccc1-c1cc2cc(C3CC4(CNC4)C3)sc2nn1
InChIInChI=1S/C18H17N3OS/c22-15-4-2-1-3-13(15)14-5-11-6-16(23-17(11)21-20-14)12-7-18(8-12)9-19-10-18/h1-6,12,19,22H,7-10H2
InChIKeyAVFWEXJUPONQAL-UHFFFAOYSA-N
MW323.42 g/mol
LogP3.53
Rot. Bonds2

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

2-[6-(2-azaspiro[3.3]heptan-6-yl)thieno[2,3-c]pyridazin-3-yl]phenol (PubChem CID 170350008) has the molecular formula C18H17N3OS and a molecular weight of 323.42 g/mol. Its IUPAC name is 2-[6-(2-azaspiro[3.3]heptan-6-yl)thieno[2,3-c]pyridazin-3-yl]phenol.

Molecular Properties

Compound Name2-[6-(2-azaspiro[3.3]heptan-6-yl)thieno[2,3-c]pyridazin-3-yl]phenol
PubChem CID170350008
Molecular FormulaC18H17N3OS
Molecular Weight323.42 g/mol
Exact Mass323.11
IUPAC Name2-[6-(2-azaspiro[3.3]heptan-6-yl)thieno[2,3-c]pyridazin-3-yl]phenol
SMILESOc1ccccc1-c1cc2cc(C3CC4(CNC4)C3)sc2nn1
InChIInChI=1S/C18H17N3OS/c22-15-4-2-1-3-13(15)14-5-11-6-16(23-17(11)21-20-14)12-7-18(8-12)9-19-10-18/h1-6,12,19,22H,7-10H2
InChIKeyAVFWEXJUPONQAL-UHFFFAOYSA-N
XLogP3.53
TPSA58.04 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.42
LogP ≤ 53.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[6-(2-azaspiro[3.3]heptan-6-yl)thieno[2,3-c]pyridazin-3-yl]phenol?
The IUPAC name of 2-[6-(2-azaspiro[3.3]heptan-6-yl)thieno[2,3-c]pyridazin-3-yl]phenol (CID 170350008) is 2-[6-(2-azaspiro[3.3]heptan-6-yl)thieno[2,3-c]pyridazin-3-yl]phenol.
What is the SMILES notation for 2-[6-(2-azaspiro[3.3]heptan-6-yl)thieno[2,3-c]pyridazin-3-yl]phenol?
The canonical SMILES for 2-[6-(2-azaspiro[3.3]heptan-6-yl)thieno[2,3-c]pyridazin-3-yl]phenol is Oc1ccccc1-c1cc2cc(C3CC4(CNC4)C3)sc2nn1.
What is the InChIKey of 2-[6-(2-azaspiro[3.3]heptan-6-yl)thieno[2,3-c]pyridazin-3-yl]phenol?
The InChIKey is AVFWEXJUPONQAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N3OS/c22-15-4-2-1-3-13(15)14-5-11-6-16(23-17(11)21-20-14)12-7-18(8-12)9-19-10-18/h1-6,12,19,22H,7-10H2.
What are the key properties of 2-[6-(2-azaspiro[3.3]heptan-6-yl)thieno[2,3-c]pyridazin-3-yl]phenol?
2-[6-(2-azaspiro[3.3]heptan-6-yl)thieno[2,3-c]pyridazin-3-yl]phenol has a molecular weight of 323.42 g/mol, XLogP of 3.53, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-(2-azaspiro[3.3]heptan-6-yl)thieno[2,3-c]pyridazin-3-yl]phenol is sourced from PubChem (CID 170350008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).