6-(4-ethyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl)-2-propylpyridazin-3-one

C17H21N3O2S — CID 24504461

IUPAC6-(4-ethyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl)-2-propylpyridazin-3-one
SMILESCCCn1nc(C(=O)N2CCc3sccc3C2CC)ccc1=O
InChIInChI=1S/C17H21N3O2S/c1-3-9-20-16(21)6-5-13(18-20)17(22)19-10-7-15-12(8-11-23-15)14(19)4-2/h5-6,8,11,14H,3-4,7,9-10H2,1-2H3
InChIKeyPYXSAUWXKCIMLZ-UHFFFAOYSA-N
MW331.44 g/mol
LogP2.86
Rot. Bonds4

About 6-(4-ethyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl)-2-propylpyridazin-3-one

6-(4-ethyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl)-2-propylpyridazin-3-one (PubChem CID 24504461) has the molecular formula C17H21N3O2S and a molecular weight of 331.44 g/mol. Its IUPAC name is 6-(4-ethyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl)-2-propylpyridazin-3-one.

Molecular Properties

Compound Name6-(4-ethyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl)-2-propylpyridazin-3-one
PubChem CID24504461
Molecular FormulaC17H21N3O2S
Molecular Weight331.44 g/mol
Exact Mass331.14
IUPAC Name6-(4-ethyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl)-2-propylpyridazin-3-one
SMILESCCCn1nc(C(=O)N2CCc3sccc3C2CC)ccc1=O
InChIInChI=1S/C17H21N3O2S/c1-3-9-20-16(21)6-5-13(18-20)17(22)19-10-7-15-12(8-11-23-15)14(19)4-2/h5-6,8,11,14H,3-4,7,9-10H2,1-2H3
InChIKeyPYXSAUWXKCIMLZ-UHFFFAOYSA-N
XLogP2.86
TPSA55.20 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.44
LogP ≤ 52.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 6-(4-ethyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl)-2-propylpyridazin-3-one with MolForge

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Launch Full Analysis

Related Compounds

2-benzyl-6-[(4R)-4-ethyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl]pyridazin-3-one
CID 51925321
6-(4-ethyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl)-2-(4-fluorophenyl)pyridazin-3-one
CID 55633130
2-[2-(4-ethyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-oxoethyl]-6-methylpyridazin-3-one
CID 126766696
(6-chloropyrazin-2-yl)-(4-ethyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)methanone
CID 103187222
(6-chloropyrazolo[1,5-a]pyridin-2-yl)-(4-ethyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)methanone
CID 68802157
5-(4-ethyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl)-2-methyl-1H-pyridin-4-one
CID 103696371
(3,5-diaminophenyl)-(4-ethyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)methanone
CID 61107490
(2,4-dimethyl-1,3-oxazol-5-yl)-(4-ethyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)methanone
CID 71871751
(4-ethyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-(2-fluorophenyl)methanone
CID 51239407
(6-chloro-3-pyridinyl)-(4-ethyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)methanone
CID 47120174
(4-bromo-1H-pyrrol-2-yl)-(4-ethyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)methanone
CID 47124034
(3,5-dimethoxyphenyl)-(4-ethyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)methanone
CID 17465789

Frequently Asked Questions

What is the IUPAC name of 6-(4-ethyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl)-2-propylpyridazin-3-one?
The IUPAC name of 6-(4-ethyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl)-2-propylpyridazin-3-one (CID 24504461) is 6-(4-ethyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl)-2-propylpyridazin-3-one.
What is the SMILES notation for 6-(4-ethyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl)-2-propylpyridazin-3-one?
The canonical SMILES for 6-(4-ethyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl)-2-propylpyridazin-3-one is CCCn1nc(C(=O)N2CCc3sccc3C2CC)ccc1=O.
What is the InChIKey of 6-(4-ethyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl)-2-propylpyridazin-3-one?
The InChIKey is PYXSAUWXKCIMLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O2S/c1-3-9-20-16(21)6-5-13(18-20)17(22)19-10-7-15-12(8-11-23-15)14(19)4-2/h5-6,8,11,14H,3-4,7,9-10H2,1-2H3.
What are the key properties of 6-(4-ethyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl)-2-propylpyridazin-3-one?
6-(4-ethyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl)-2-propylpyridazin-3-one has a molecular weight of 331.44 g/mol, XLogP of 2.86, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-ethyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl)-2-propylpyridazin-3-one is sourced from PubChem (CID 24504461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).