5-propan-2-yl-3,7-dipyridin-4-ylthieno[2,3-d]pyridazin-4-one

C19H16N4OS — CID 90416784

IUPAC5-propan-2-yl-3,7-dipyridin-4-ylthieno[2,3-d]pyridazin-4-one
SMILESCC(C)n1nc(-c2ccncc2)c2scc(-c3ccncc3)c2c1=O
InChIInChI=1S/C19H16N4OS/c1-12(2)23-19(24)16-15(13-3-7-20-8-4-13)11-25-18(16)17(22-23)14-5-9-21-10-6-14/h3-12H,1-2H3
InChIKeyJYZHJIDIQJHOCK-UHFFFAOYSA-N
MW348.43 g/mol
LogP4.16
Rot. Bonds3

About 5-propan-2-yl-3,7-dipyridin-4-ylthieno[2,3-d]pyridazin-4-one

5-propan-2-yl-3,7-dipyridin-4-ylthieno[2,3-d]pyridazin-4-one (PubChem CID 90416784) has the molecular formula C19H16N4OS and a molecular weight of 348.43 g/mol. Its IUPAC name is 5-propan-2-yl-3,7-dipyridin-4-ylthieno[2,3-d]pyridazin-4-one.

Molecular Properties

Compound Name5-propan-2-yl-3,7-dipyridin-4-ylthieno[2,3-d]pyridazin-4-one
PubChem CID90416784
Molecular FormulaC19H16N4OS
Molecular Weight348.43 g/mol
Exact Mass348.10
IUPAC Name5-propan-2-yl-3,7-dipyridin-4-ylthieno[2,3-d]pyridazin-4-one
SMILESCC(C)n1nc(-c2ccncc2)c2scc(-c3ccncc3)c2c1=O
InChIInChI=1S/C19H16N4OS/c1-12(2)23-19(24)16-15(13-3-7-20-8-4-13)11-25-18(16)17(22-23)14-5-9-21-10-6-14/h3-12H,1-2H3
InChIKeyJYZHJIDIQJHOCK-UHFFFAOYSA-N
XLogP4.16
TPSA60.67 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.43
LogP ≤ 54.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-propan-2-yl-3,7-dipyridin-4-ylthieno[2,3-d]pyridazin-4-one?
The IUPAC name of 5-propan-2-yl-3,7-dipyridin-4-ylthieno[2,3-d]pyridazin-4-one (CID 90416784) is 5-propan-2-yl-3,7-dipyridin-4-ylthieno[2,3-d]pyridazin-4-one.
What is the SMILES notation for 5-propan-2-yl-3,7-dipyridin-4-ylthieno[2,3-d]pyridazin-4-one?
The canonical SMILES for 5-propan-2-yl-3,7-dipyridin-4-ylthieno[2,3-d]pyridazin-4-one is CC(C)n1nc(-c2ccncc2)c2scc(-c3ccncc3)c2c1=O.
What is the InChIKey of 5-propan-2-yl-3,7-dipyridin-4-ylthieno[2,3-d]pyridazin-4-one?
The InChIKey is JYZHJIDIQJHOCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N4OS/c1-12(2)23-19(24)16-15(13-3-7-20-8-4-13)11-25-18(16)17(22-23)14-5-9-21-10-6-14/h3-12H,1-2H3.
What are the key properties of 5-propan-2-yl-3,7-dipyridin-4-ylthieno[2,3-d]pyridazin-4-one?
5-propan-2-yl-3,7-dipyridin-4-ylthieno[2,3-d]pyridazin-4-one has a molecular weight of 348.43 g/mol, XLogP of 4.16, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-propan-2-yl-3,7-dipyridin-4-ylthieno[2,3-d]pyridazin-4-one is sourced from PubChem (CID 90416784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).