1'-[6-(2-methoxyphenyl)pyridazin-3-yl]spiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine]

C22H23N3O2S — CID 135094851

IUPAC1'-[6-(2-methoxyphenyl)pyridazin-3-yl]spiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine]
SMILESCOc1ccccc1-c1ccc(N2CCC3(CC2)OCCc2sccc23)nn1
InChIInChI=1S/C22H23N3O2S/c1-26-19-5-3-2-4-16(19)18-6-7-21(24-23-18)25-12-10-22(11-13-25)17-9-15-28-20(17)8-14-27-22/h2-7,9,15H,8,10-14H2,1H3
InChIKeyJNSROSGCYOGBCX-UHFFFAOYSA-N
MW393.51 g/mol
LogP4.28
Rot. Bonds3

About 1'-[6-(2-methoxyphenyl)pyridazin-3-yl]spiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine]

1'-[6-(2-methoxyphenyl)pyridazin-3-yl]spiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine] (PubChem CID 135094851) has the molecular formula C22H23N3O2S and a molecular weight of 393.51 g/mol. Its IUPAC name is 1'-[6-(2-methoxyphenyl)pyridazin-3-yl]spiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine].

Molecular Properties

Compound Name1'-[6-(2-methoxyphenyl)pyridazin-3-yl]spiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine]
PubChem CID135094851
Molecular FormulaC22H23N3O2S
Molecular Weight393.51 g/mol
Exact Mass393.15
IUPAC Name1'-[6-(2-methoxyphenyl)pyridazin-3-yl]spiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine]
SMILESCOc1ccccc1-c1ccc(N2CCC3(CC2)OCCc2sccc23)nn1
InChIInChI=1S/C22H23N3O2S/c1-26-19-5-3-2-4-16(19)18-6-7-21(24-23-18)25-12-10-22(11-13-25)17-9-15-28-20(17)8-14-27-22/h2-7,9,15H,8,10-14H2,1H3
InChIKeyJNSROSGCYOGBCX-UHFFFAOYSA-N
XLogP4.28
TPSA47.48 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.51
LogP ≤ 54.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1'-[6-(2-methoxyphenyl)pyridazin-3-yl]spiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine]?
The IUPAC name of 1'-[6-(2-methoxyphenyl)pyridazin-3-yl]spiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine] (CID 135094851) is 1'-[6-(2-methoxyphenyl)pyridazin-3-yl]spiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine].
What is the SMILES notation for 1'-[6-(2-methoxyphenyl)pyridazin-3-yl]spiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine]?
The canonical SMILES for 1'-[6-(2-methoxyphenyl)pyridazin-3-yl]spiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine] is COc1ccccc1-c1ccc(N2CCC3(CC2)OCCc2sccc23)nn1.
What is the InChIKey of 1'-[6-(2-methoxyphenyl)pyridazin-3-yl]spiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine]?
The InChIKey is JNSROSGCYOGBCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N3O2S/c1-26-19-5-3-2-4-16(19)18-6-7-21(24-23-18)25-12-10-22(11-13-25)17-9-15-28-20(17)8-14-27-22/h2-7,9,15H,8,10-14H2,1H3.
What are the key properties of 1'-[6-(2-methoxyphenyl)pyridazin-3-yl]spiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine]?
1'-[6-(2-methoxyphenyl)pyridazin-3-yl]spiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine] has a molecular weight of 393.51 g/mol, XLogP of 4.28, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1'-[6-(2-methoxyphenyl)pyridazin-3-yl]spiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine] is sourced from PubChem (CID 135094851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).