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

C20H19N5S — CID 46197475

IUPAC6-piperidin-1-yl-3-pyridin-4-yl-2-thiophen-2-ylimidazo[1,2-b]pyridazine
SMILESc1csc(-c2nc3ccc(N4CCCCC4)nn3c2-c2ccncc2)c1
InChIInChI=1S/C20H19N5S/c1-2-12-24(13-3-1)18-7-6-17-22-19(16-5-4-14-26-16)20(25(17)23-18)15-8-10-21-11-9-15/h4-11,14H,1-3,12-13H2
InChIKeyNTOWGVMOQYEKCQ-UHFFFAOYSA-N
MW361.47 g/mol
LogP4.51
Rot. Bonds3

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

6-piperidin-1-yl-3-pyridin-4-yl-2-thiophen-2-ylimidazo[1,2-b]pyridazine (PubChem CID 46197475) has the molecular formula C20H19N5S and a molecular weight of 361.47 g/mol. Its IUPAC name is 6-piperidin-1-yl-3-pyridin-4-yl-2-thiophen-2-ylimidazo[1,2-b]pyridazine.

Molecular Properties

Compound Name6-piperidin-1-yl-3-pyridin-4-yl-2-thiophen-2-ylimidazo[1,2-b]pyridazine
PubChem CID46197475
Molecular FormulaC20H19N5S
Molecular Weight361.47 g/mol
Exact Mass361.14
IUPAC Name6-piperidin-1-yl-3-pyridin-4-yl-2-thiophen-2-ylimidazo[1,2-b]pyridazine
SMILESc1csc(-c2nc3ccc(N4CCCCC4)nn3c2-c2ccncc2)c1
InChIInChI=1S/C20H19N5S/c1-2-12-24(13-3-1)18-7-6-17-22-19(16-5-4-14-26-16)20(25(17)23-18)15-8-10-21-11-9-15/h4-11,14H,1-3,12-13H2
InChIKeyNTOWGVMOQYEKCQ-UHFFFAOYSA-N
XLogP4.51
TPSA46.32 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.47
LogP ≤ 54.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-piperidin-1-yl-3-pyridin-4-yl-2-thiophen-2-ylimidazo[1,2-b]pyridazine?
The IUPAC name of 6-piperidin-1-yl-3-pyridin-4-yl-2-thiophen-2-ylimidazo[1,2-b]pyridazine (CID 46197475) is 6-piperidin-1-yl-3-pyridin-4-yl-2-thiophen-2-ylimidazo[1,2-b]pyridazine.
What is the SMILES notation for 6-piperidin-1-yl-3-pyridin-4-yl-2-thiophen-2-ylimidazo[1,2-b]pyridazine?
The canonical SMILES for 6-piperidin-1-yl-3-pyridin-4-yl-2-thiophen-2-ylimidazo[1,2-b]pyridazine is c1csc(-c2nc3ccc(N4CCCCC4)nn3c2-c2ccncc2)c1.
What is the InChIKey of 6-piperidin-1-yl-3-pyridin-4-yl-2-thiophen-2-ylimidazo[1,2-b]pyridazine?
The InChIKey is NTOWGVMOQYEKCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N5S/c1-2-12-24(13-3-1)18-7-6-17-22-19(16-5-4-14-26-16)20(25(17)23-18)15-8-10-21-11-9-15/h4-11,14H,1-3,12-13H2.
What are the key properties of 6-piperidin-1-yl-3-pyridin-4-yl-2-thiophen-2-ylimidazo[1,2-b]pyridazine?
6-piperidin-1-yl-3-pyridin-4-yl-2-thiophen-2-ylimidazo[1,2-b]pyridazine has a molecular weight of 361.47 g/mol, XLogP of 4.51, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-piperidin-1-yl-3-pyridin-4-yl-2-thiophen-2-ylimidazo[1,2-b]pyridazine is sourced from PubChem (CID 46197475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).