5-ethyl-4,4-dimethyl-7-pyrrolo[1,2-b]pyridazin-3-yl-5H-thieno[2,3-c]pyridine

C18H19N3S — CID 142383459

IUPAC5-ethyl-4,4-dimethyl-7-pyrrolo[1,2-b]pyridazin-3-yl-5H-thieno[2,3-c]pyridine
SMILESCCC1N=C(c2cnn3cccc3c2)c2sccc2C1(C)C
InChIInChI=1S/C18H19N3S/c1-4-15-18(2,3)14-7-9-22-17(14)16(20-15)12-10-13-6-5-8-21(13)19-11-12/h5-11,15H,4H2,1-3H3
InChIKeyVKVQIEJJCBZOTD-UHFFFAOYSA-N
MW309.44 g/mol
LogP4.30
Rot. Bonds2

About 5-ethyl-4,4-dimethyl-7-pyrrolo[1,2-b]pyridazin-3-yl-5H-thieno[2,3-c]pyridine

5-ethyl-4,4-dimethyl-7-pyrrolo[1,2-b]pyridazin-3-yl-5H-thieno[2,3-c]pyridine (PubChem CID 142383459) has the molecular formula C18H19N3S and a molecular weight of 309.44 g/mol. Its IUPAC name is 5-ethyl-4,4-dimethyl-7-pyrrolo[1,2-b]pyridazin-3-yl-5H-thieno[2,3-c]pyridine.

Molecular Properties

Compound Name5-ethyl-4,4-dimethyl-7-pyrrolo[1,2-b]pyridazin-3-yl-5H-thieno[2,3-c]pyridine
PubChem CID142383459
Molecular FormulaC18H19N3S
Molecular Weight309.44 g/mol
Exact Mass309.13
IUPAC Name5-ethyl-4,4-dimethyl-7-pyrrolo[1,2-b]pyridazin-3-yl-5H-thieno[2,3-c]pyridine
SMILESCCC1N=C(c2cnn3cccc3c2)c2sccc2C1(C)C
InChIInChI=1S/C18H19N3S/c1-4-15-18(2,3)14-7-9-22-17(14)16(20-15)12-10-13-6-5-8-21(13)19-11-12/h5-11,15H,4H2,1-3H3
InChIKeyVKVQIEJJCBZOTD-UHFFFAOYSA-N
XLogP4.30
TPSA29.66 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.44
LogP ≤ 54.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 5-ethyl-4,4-dimethyl-7-pyrrolo[1,2-b]pyridazin-3-yl-5H-thieno[2,3-c]pyridine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-ethyl-4,4-dimethyl-7-pyrrolo[1,2-b]pyridazin-3-yl-5H-thieno[2,3-c]pyridine?
The IUPAC name of 5-ethyl-4,4-dimethyl-7-pyrrolo[1,2-b]pyridazin-3-yl-5H-thieno[2,3-c]pyridine (CID 142383459) is 5-ethyl-4,4-dimethyl-7-pyrrolo[1,2-b]pyridazin-3-yl-5H-thieno[2,3-c]pyridine.
What is the SMILES notation for 5-ethyl-4,4-dimethyl-7-pyrrolo[1,2-b]pyridazin-3-yl-5H-thieno[2,3-c]pyridine?
The canonical SMILES for 5-ethyl-4,4-dimethyl-7-pyrrolo[1,2-b]pyridazin-3-yl-5H-thieno[2,3-c]pyridine is CCC1N=C(c2cnn3cccc3c2)c2sccc2C1(C)C.
What is the InChIKey of 5-ethyl-4,4-dimethyl-7-pyrrolo[1,2-b]pyridazin-3-yl-5H-thieno[2,3-c]pyridine?
The InChIKey is VKVQIEJJCBZOTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3S/c1-4-15-18(2,3)14-7-9-22-17(14)16(20-15)12-10-13-6-5-8-21(13)19-11-12/h5-11,15H,4H2,1-3H3.
What are the key properties of 5-ethyl-4,4-dimethyl-7-pyrrolo[1,2-b]pyridazin-3-yl-5H-thieno[2,3-c]pyridine?
5-ethyl-4,4-dimethyl-7-pyrrolo[1,2-b]pyridazin-3-yl-5H-thieno[2,3-c]pyridine has a molecular weight of 309.44 g/mol, XLogP of 4.30, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-4,4-dimethyl-7-pyrrolo[1,2-b]pyridazin-3-yl-5H-thieno[2,3-c]pyridine is sourced from PubChem (CID 142383459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).