5-methyl-3-piperidin-1-yl-7-pyridin-4-ylthieno[2,3-d]pyridazin-4-one

C17H18N4OS — CID 160869238

IUPAC5-methyl-3-piperidin-1-yl-7-pyridin-4-ylthieno[2,3-d]pyridazin-4-one
SMILESCn1nc(-c2ccncc2)c2scc(N3CCCCC3)c2c1=O
InChIInChI=1S/C17H18N4OS/c1-20-17(22)14-13(21-9-3-2-4-10-21)11-23-16(14)15(19-20)12-5-7-18-8-6-12/h5-8,11H,2-4,9-10H2,1H3
InChIKeySLNRHRHWWGRBQU-UHFFFAOYSA-N
MW326.43 g/mol
LogP3.05
Rot. Bonds2

About 5-methyl-3-piperidin-1-yl-7-pyridin-4-ylthieno[2,3-d]pyridazin-4-one

5-methyl-3-piperidin-1-yl-7-pyridin-4-ylthieno[2,3-d]pyridazin-4-one (PubChem CID 160869238) has the molecular formula C17H18N4OS and a molecular weight of 326.43 g/mol. Its IUPAC name is 5-methyl-3-piperidin-1-yl-7-pyridin-4-ylthieno[2,3-d]pyridazin-4-one.

Molecular Properties

Compound Name5-methyl-3-piperidin-1-yl-7-pyridin-4-ylthieno[2,3-d]pyridazin-4-one
PubChem CID160869238
Molecular FormulaC17H18N4OS
Molecular Weight326.43 g/mol
Exact Mass326.12
IUPAC Name5-methyl-3-piperidin-1-yl-7-pyridin-4-ylthieno[2,3-d]pyridazin-4-one
SMILESCn1nc(-c2ccncc2)c2scc(N3CCCCC3)c2c1=O
InChIInChI=1S/C17H18N4OS/c1-20-17(22)14-13(21-9-3-2-4-10-21)11-23-16(14)15(19-20)12-5-7-18-8-6-12/h5-8,11H,2-4,9-10H2,1H3
InChIKeySLNRHRHWWGRBQU-UHFFFAOYSA-N
XLogP3.05
TPSA51.02 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.43
LogP ≤ 53.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-3-piperidin-1-yl-7-pyridin-4-ylthieno[2,3-d]pyridazin-4-one?
The IUPAC name of 5-methyl-3-piperidin-1-yl-7-pyridin-4-ylthieno[2,3-d]pyridazin-4-one (CID 160869238) is 5-methyl-3-piperidin-1-yl-7-pyridin-4-ylthieno[2,3-d]pyridazin-4-one.
What is the SMILES notation for 5-methyl-3-piperidin-1-yl-7-pyridin-4-ylthieno[2,3-d]pyridazin-4-one?
The canonical SMILES for 5-methyl-3-piperidin-1-yl-7-pyridin-4-ylthieno[2,3-d]pyridazin-4-one is Cn1nc(-c2ccncc2)c2scc(N3CCCCC3)c2c1=O.
What is the InChIKey of 5-methyl-3-piperidin-1-yl-7-pyridin-4-ylthieno[2,3-d]pyridazin-4-one?
The InChIKey is SLNRHRHWWGRBQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N4OS/c1-20-17(22)14-13(21-9-3-2-4-10-21)11-23-16(14)15(19-20)12-5-7-18-8-6-12/h5-8,11H,2-4,9-10H2,1H3.
What are the key properties of 5-methyl-3-piperidin-1-yl-7-pyridin-4-ylthieno[2,3-d]pyridazin-4-one?
5-methyl-3-piperidin-1-yl-7-pyridin-4-ylthieno[2,3-d]pyridazin-4-one has a molecular weight of 326.43 g/mol, XLogP of 3.05, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-3-piperidin-1-yl-7-pyridin-4-ylthieno[2,3-d]pyridazin-4-one is sourced from PubChem (CID 160869238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).