2-(3,5-dimethylpyridazin-4-yl)-5-thieno[2,3-c]pyridin-7-yloxybenzonitrile

C20H14N4OS — CID 118467521

IUPAC2-(3,5-dimethylpyridazin-4-yl)-5-thieno[2,3-c]pyridin-7-yloxybenzonitrile
SMILESCc1cnnc(C)c1-c1ccc(Oc2nccc3ccsc23)cc1C#N
InChIInChI=1S/C20H14N4OS/c1-12-11-23-24-13(2)18(12)17-4-3-16(9-15(17)10-21)25-20-19-14(5-7-22-20)6-8-26-19/h3-9,11H,1-2H3
InChIKeyOHGAQZQBIGHABB-UHFFFAOYSA-N
MW358.43 g/mol
LogP5.03
Rot. Bonds3

About 2-(3,5-dimethylpyridazin-4-yl)-5-thieno[2,3-c]pyridin-7-yloxybenzonitrile

2-(3,5-dimethylpyridazin-4-yl)-5-thieno[2,3-c]pyridin-7-yloxybenzonitrile (PubChem CID 118467521) has the molecular formula C20H14N4OS and a molecular weight of 358.43 g/mol. Its IUPAC name is 2-(3,5-dimethylpyridazin-4-yl)-5-thieno[2,3-c]pyridin-7-yloxybenzonitrile.

Molecular Properties

Compound Name2-(3,5-dimethylpyridazin-4-yl)-5-thieno[2,3-c]pyridin-7-yloxybenzonitrile
PubChem CID118467521
Molecular FormulaC20H14N4OS
Molecular Weight358.43 g/mol
Exact Mass358.09
IUPAC Name2-(3,5-dimethylpyridazin-4-yl)-5-thieno[2,3-c]pyridin-7-yloxybenzonitrile
SMILESCc1cnnc(C)c1-c1ccc(Oc2nccc3ccsc23)cc1C#N
InChIInChI=1S/C20H14N4OS/c1-12-11-23-24-13(2)18(12)17-4-3-16(9-15(17)10-21)25-20-19-14(5-7-22-20)6-8-26-19/h3-9,11H,1-2H3
InChIKeyOHGAQZQBIGHABB-UHFFFAOYSA-N
XLogP5.03
TPSA71.69 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500358.43
LogP ≤ 55.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

4-[4-(3,5-dimethylpyridazin-4-yl)-3-methylphenoxy]furo[3,2-c]pyridine
CID 75201961
7-[4-(4,6-dimethylpyrimidin-5-yl)-2,5-difluorophenoxy]thieno[2,3-c]pyridine
CID 118467518
4-[4-(4,6-dimethylpyrimidin-5-yl)-3-methylphenoxy]furo[3,2-c]pyridine-3-carbonitrile
CID 90142202
4-[2-methoxy-4-[(2-methylpropan-2-yl)oxy]phenyl]-3,5-dimethylpyridazine
CID 118445645
3-(4-amino-3-methylphenoxy)pyridazine-4-carbonitrile
CID 80514822
5-methoxy-2-pyrimidin-2-ylbenzonitrile
CID 121010677
8-[4-(4,6-dimethylpyrimidin-5-yl)-3-methylphenoxy]-1,7-naphthyridine
CID 118468690
5-methoxy-4-(4-methoxy-2-methylphenyl)-3-methylpyridazine
CID 118448819
2-(4,6-dimethylpyrimidin-5-yl)-5-[(2-methylpropan-2-yl)oxy]benzonitrile
CID 90147908
3,5-dimethyl-4-[2-methyl-4-([1,3]thiazolo[5,4-c]pyridin-4-yloxy)phenyl]-1H-pyridazin-6-one
CID 161030718
2-methyl-4-pyrimidin-2-yloxybenzonitrile
CID 70098326
3-(3,4-dimethylphenoxy)-5,6-dimethylpyridazine-4-carbonitrile
CID 60725799

Frequently Asked Questions

What is the IUPAC name of 2-(3,5-dimethylpyridazin-4-yl)-5-thieno[2,3-c]pyridin-7-yloxybenzonitrile?
The IUPAC name of 2-(3,5-dimethylpyridazin-4-yl)-5-thieno[2,3-c]pyridin-7-yloxybenzonitrile (CID 118467521) is 2-(3,5-dimethylpyridazin-4-yl)-5-thieno[2,3-c]pyridin-7-yloxybenzonitrile.
What is the SMILES notation for 2-(3,5-dimethylpyridazin-4-yl)-5-thieno[2,3-c]pyridin-7-yloxybenzonitrile?
The canonical SMILES for 2-(3,5-dimethylpyridazin-4-yl)-5-thieno[2,3-c]pyridin-7-yloxybenzonitrile is Cc1cnnc(C)c1-c1ccc(Oc2nccc3ccsc23)cc1C#N.
What is the InChIKey of 2-(3,5-dimethylpyridazin-4-yl)-5-thieno[2,3-c]pyridin-7-yloxybenzonitrile?
The InChIKey is OHGAQZQBIGHABB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14N4OS/c1-12-11-23-24-13(2)18(12)17-4-3-16(9-15(17)10-21)25-20-19-14(5-7-22-20)6-8-26-19/h3-9,11H,1-2H3.
What are the key properties of 2-(3,5-dimethylpyridazin-4-yl)-5-thieno[2,3-c]pyridin-7-yloxybenzonitrile?
2-(3,5-dimethylpyridazin-4-yl)-5-thieno[2,3-c]pyridin-7-yloxybenzonitrile has a molecular weight of 358.43 g/mol, XLogP of 5.03, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-dimethylpyridazin-4-yl)-5-thieno[2,3-c]pyridin-7-yloxybenzonitrile is sourced from PubChem (CID 118467521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).