6-[3-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)azetidine-1-carbonyl]-2-methylpyridazin-3-one

C16H18N4O2S — CID 121017174

IUPAC6-[3-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)azetidine-1-carbonyl]-2-methylpyridazin-3-one
SMILESCn1nc(C(=O)N2CC(N3CCc4sccc4C3)C2)ccc1=O
InChIInChI=1S/C16H18N4O2S/c1-18-15(21)3-2-13(17-18)16(22)20-9-12(10-20)19-6-4-14-11(8-19)5-7-23-14/h2-3,5,7,12H,4,6,8-10H2,1H3
InChIKeyRIGUEYBORHYTLI-UHFFFAOYSA-N
MW330.41 g/mol
LogP0.72
Rot. Bonds2

About 6-[3-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)azetidine-1-carbonyl]-2-methylpyridazin-3-one

6-[3-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)azetidine-1-carbonyl]-2-methylpyridazin-3-one (PubChem CID 121017174) has the molecular formula C16H18N4O2S and a molecular weight of 330.41 g/mol. Its IUPAC name is 6-[3-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)azetidine-1-carbonyl]-2-methylpyridazin-3-one.

Molecular Properties

Compound Name6-[3-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)azetidine-1-carbonyl]-2-methylpyridazin-3-one
PubChem CID121017174
Molecular FormulaC16H18N4O2S
Molecular Weight330.41 g/mol
Exact Mass330.12
IUPAC Name6-[3-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)azetidine-1-carbonyl]-2-methylpyridazin-3-one
SMILESCn1nc(C(=O)N2CC(N3CCc4sccc4C3)C2)ccc1=O
InChIInChI=1S/C16H18N4O2S/c1-18-15(21)3-2-13(17-18)16(22)20-9-12(10-20)19-6-4-14-11(8-19)5-7-23-14/h2-3,5,7,12H,4,6,8-10H2,1H3
InChIKeyRIGUEYBORHYTLI-UHFFFAOYSA-N
XLogP0.72
TPSA58.44 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.41
LogP ≤ 50.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 6-[3-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)azetidine-1-carbonyl]-2-methylpyridazin-3-one with MolForge

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Related Compounds

1-[3-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)azetidin-1-yl]-2,2-dimethylpropan-1-one
CID 121154228
[3-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)azetidin-1-yl]-(2,3,4-trimethoxyphenyl)methanone
CID 121154445
[3-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)azetidin-1-yl]-(4-propylthiadiazol-5-yl)methanone
CID 121154276
[3-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)azetidin-1-yl]-[5-(furan-2-yl)-1H-pyrazol-3-yl]methanone
CID 121154475
[3-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)azetidin-1-yl]-(2-methoxy-3-pyridinyl)methanone
CID 121154408
3-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-N-ethylazetidine-1-carboxamide
CID 121154512
[3-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)azetidin-1-yl]-(3,4-dimethoxyphenyl)methanone
CID 121154289
7-[2-[3-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)azetidin-1-yl]-2-oxoethyl]-1,3-dimethylpurine-2,6-dione
CID 121154453
(3-chlorophenyl)-[3-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)azetidin-1-yl]methanone
CID 121154441
[3-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)azetidin-1-yl]-(4-pyrrol-1-ylphenyl)methanone
CID 121154415
[4-(3,4-dichlorophenyl)phenyl]-[3-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)azetidin-1-yl]methanone
CID 121154324
1-[4-[3-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)azetidine-1-carbonyl]piperidin-1-yl]ethanone;hydrochloride
CID 121154421

Frequently Asked Questions

What is the IUPAC name of 6-[3-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)azetidine-1-carbonyl]-2-methylpyridazin-3-one?
The IUPAC name of 6-[3-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)azetidine-1-carbonyl]-2-methylpyridazin-3-one (CID 121017174) is 6-[3-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)azetidine-1-carbonyl]-2-methylpyridazin-3-one.
What is the SMILES notation for 6-[3-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)azetidine-1-carbonyl]-2-methylpyridazin-3-one?
The canonical SMILES for 6-[3-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)azetidine-1-carbonyl]-2-methylpyridazin-3-one is Cn1nc(C(=O)N2CC(N3CCc4sccc4C3)C2)ccc1=O.
What is the InChIKey of 6-[3-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)azetidine-1-carbonyl]-2-methylpyridazin-3-one?
The InChIKey is RIGUEYBORHYTLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N4O2S/c1-18-15(21)3-2-13(17-18)16(22)20-9-12(10-20)19-6-4-14-11(8-19)5-7-23-14/h2-3,5,7,12H,4,6,8-10H2,1H3.
What are the key properties of 6-[3-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)azetidine-1-carbonyl]-2-methylpyridazin-3-one?
6-[3-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)azetidine-1-carbonyl]-2-methylpyridazin-3-one has a molecular weight of 330.41 g/mol, XLogP of 0.72, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[3-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)azetidine-1-carbonyl]-2-methylpyridazin-3-one is sourced from PubChem (CID 121017174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).