8-(4-methyl-3-pyridinyl)-3-thiophen-2-ylimidazo[1,2-b]pyridazine

C16H12N4S — CID 54589205

IUPAC8-(4-methyl-3-pyridinyl)-3-thiophen-2-ylimidazo[1,2-b]pyridazine
SMILESCc1ccncc1-c1ccnn2c(-c3cccs3)cnc12
InChIInChI=1S/C16H12N4S/c1-11-4-6-17-9-13(11)12-5-7-19-20-14(10-18-16(12)20)15-3-2-8-21-15/h2-10H,1H3
InChIKeyMYRCNHLYJQWKKU-UHFFFAOYSA-N
MW292.37 g/mol
LogP3.83
Rot. Bonds2

About 8-(4-methyl-3-pyridinyl)-3-thiophen-2-ylimidazo[1,2-b]pyridazine

8-(4-methyl-3-pyridinyl)-3-thiophen-2-ylimidazo[1,2-b]pyridazine (PubChem CID 54589205) has the molecular formula C16H12N4S and a molecular weight of 292.37 g/mol. Its IUPAC name is 8-(4-methyl-3-pyridinyl)-3-thiophen-2-ylimidazo[1,2-b]pyridazine.

Molecular Properties

Compound Name8-(4-methyl-3-pyridinyl)-3-thiophen-2-ylimidazo[1,2-b]pyridazine
PubChem CID54589205
Molecular FormulaC16H12N4S
Molecular Weight292.37 g/mol
Exact Mass292.08
IUPAC Name8-(4-methyl-3-pyridinyl)-3-thiophen-2-ylimidazo[1,2-b]pyridazine
SMILESCc1ccncc1-c1ccnn2c(-c3cccs3)cnc12
InChIInChI=1S/C16H12N4S/c1-11-4-6-17-9-13(11)12-5-7-19-20-14(10-18-16(12)20)15-3-2-8-21-15/h2-10H,1H3
InChIKeyMYRCNHLYJQWKKU-UHFFFAOYSA-N
XLogP3.83
TPSA43.08 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.37
LogP ≤ 53.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 8-(4-methyl-3-pyridinyl)-3-thiophen-2-ylimidazo[1,2-b]pyridazine?
The IUPAC name of 8-(4-methyl-3-pyridinyl)-3-thiophen-2-ylimidazo[1,2-b]pyridazine (CID 54589205) is 8-(4-methyl-3-pyridinyl)-3-thiophen-2-ylimidazo[1,2-b]pyridazine.
What is the SMILES notation for 8-(4-methyl-3-pyridinyl)-3-thiophen-2-ylimidazo[1,2-b]pyridazine?
The canonical SMILES for 8-(4-methyl-3-pyridinyl)-3-thiophen-2-ylimidazo[1,2-b]pyridazine is Cc1ccncc1-c1ccnn2c(-c3cccs3)cnc12.
What is the InChIKey of 8-(4-methyl-3-pyridinyl)-3-thiophen-2-ylimidazo[1,2-b]pyridazine?
The InChIKey is MYRCNHLYJQWKKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12N4S/c1-11-4-6-17-9-13(11)12-5-7-19-20-14(10-18-16(12)20)15-3-2-8-21-15/h2-10H,1H3.
What are the key properties of 8-(4-methyl-3-pyridinyl)-3-thiophen-2-ylimidazo[1,2-b]pyridazine?
8-(4-methyl-3-pyridinyl)-3-thiophen-2-ylimidazo[1,2-b]pyridazine has a molecular weight of 292.37 g/mol, XLogP of 3.83, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(4-methyl-3-pyridinyl)-3-thiophen-2-ylimidazo[1,2-b]pyridazine is sourced from PubChem (CID 54589205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).