6-chloro-3-pyridin-4-yl-2-thiophen-2-ylimidazo[1,2-b]pyridazine

C15H9ClN4S — CID 46197589

IUPAC6-chloro-3-pyridin-4-yl-2-thiophen-2-ylimidazo[1,2-b]pyridazine
SMILESClc1ccc2nc(-c3cccs3)c(-c3ccncc3)n2n1
InChIInChI=1S/C15H9ClN4S/c16-12-3-4-13-18-14(11-2-1-9-21-11)15(20(13)19-12)10-5-7-17-8-6-10/h1-9H
InChIKeyIFNZYMJWRNJXAI-UHFFFAOYSA-N
MW312.79 g/mol
LogP4.17
Rot. Bonds2

About 6-chloro-3-pyridin-4-yl-2-thiophen-2-ylimidazo[1,2-b]pyridazine

6-chloro-3-pyridin-4-yl-2-thiophen-2-ylimidazo[1,2-b]pyridazine (PubChem CID 46197589) has the molecular formula C15H9ClN4S and a molecular weight of 312.79 g/mol. Its IUPAC name is 6-chloro-3-pyridin-4-yl-2-thiophen-2-ylimidazo[1,2-b]pyridazine.

Molecular Properties

Compound Name6-chloro-3-pyridin-4-yl-2-thiophen-2-ylimidazo[1,2-b]pyridazine
PubChem CID46197589
Molecular FormulaC15H9ClN4S
Molecular Weight312.79 g/mol
Exact Mass312.02
IUPAC Name6-chloro-3-pyridin-4-yl-2-thiophen-2-ylimidazo[1,2-b]pyridazine
SMILESClc1ccc2nc(-c3cccs3)c(-c3ccncc3)n2n1
InChIInChI=1S/C15H9ClN4S/c16-12-3-4-13-18-14(11-2-1-9-21-11)15(20(13)19-12)10-5-7-17-8-6-10/h1-9H
InChIKeyIFNZYMJWRNJXAI-UHFFFAOYSA-N
XLogP4.17
TPSA43.08 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.79
LogP ≤ 54.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-3-pyridin-4-yl-2-thiophen-2-ylimidazo[1,2-b]pyridazine?
The IUPAC name of 6-chloro-3-pyridin-4-yl-2-thiophen-2-ylimidazo[1,2-b]pyridazine (CID 46197589) is 6-chloro-3-pyridin-4-yl-2-thiophen-2-ylimidazo[1,2-b]pyridazine.
What is the SMILES notation for 6-chloro-3-pyridin-4-yl-2-thiophen-2-ylimidazo[1,2-b]pyridazine?
The canonical SMILES for 6-chloro-3-pyridin-4-yl-2-thiophen-2-ylimidazo[1,2-b]pyridazine is Clc1ccc2nc(-c3cccs3)c(-c3ccncc3)n2n1.
What is the InChIKey of 6-chloro-3-pyridin-4-yl-2-thiophen-2-ylimidazo[1,2-b]pyridazine?
The InChIKey is IFNZYMJWRNJXAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H9ClN4S/c16-12-3-4-13-18-14(11-2-1-9-21-11)15(20(13)19-12)10-5-7-17-8-6-10/h1-9H.
What are the key properties of 6-chloro-3-pyridin-4-yl-2-thiophen-2-ylimidazo[1,2-b]pyridazine?
6-chloro-3-pyridin-4-yl-2-thiophen-2-ylimidazo[1,2-b]pyridazine has a molecular weight of 312.79 g/mol, XLogP of 4.17, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-3-pyridin-4-yl-2-thiophen-2-ylimidazo[1,2-b]pyridazine is sourced from PubChem (CID 46197589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).