9-(3-pyridin-4-yl-2-thiophen-3-ylimidazo[1,2-b]pyridazin-6-yl)-2,9-diazaspiro[5.5]undecane

C24H26N6S — CID 46245022

IUPAC9-(3-pyridin-4-yl-2-thiophen-3-ylimidazo[1,2-b]pyridazin-6-yl)-2,9-diazaspiro[5.5]undecane
SMILESc1cc(-c2c(-c3ccsc3)nc3ccc(N4CCC5(CCCNC5)CC4)nn23)ccn1
InChIInChI=1S/C24H26N6S/c1-7-24(17-26-10-1)8-13-29(14-9-24)21-3-2-20-27-22(19-6-15-31-16-19)23(30(20)28-21)18-4-11-25-12-5-18/h2-6,11-12,15-16,26H,1,7-10,13-14,17H2
InChIKeyJUEXGUWUPBITRX-UHFFFAOYSA-N
MW430.58 g/mol
LogP4.49
Rot. Bonds3

About 9-(3-pyridin-4-yl-2-thiophen-3-ylimidazo[1,2-b]pyridazin-6-yl)-2,9-diazaspiro[5.5]undecane

9-(3-pyridin-4-yl-2-thiophen-3-ylimidazo[1,2-b]pyridazin-6-yl)-2,9-diazaspiro[5.5]undecane (PubChem CID 46245022) has the molecular formula C24H26N6S and a molecular weight of 430.58 g/mol. Its IUPAC name is 9-(3-pyridin-4-yl-2-thiophen-3-ylimidazo[1,2-b]pyridazin-6-yl)-2,9-diazaspiro[5.5]undecane.

Molecular Properties

Compound Name9-(3-pyridin-4-yl-2-thiophen-3-ylimidazo[1,2-b]pyridazin-6-yl)-2,9-diazaspiro[5.5]undecane
PubChem CID46245022
Molecular FormulaC24H26N6S
Molecular Weight430.58 g/mol
Exact Mass430.19
IUPAC Name9-(3-pyridin-4-yl-2-thiophen-3-ylimidazo[1,2-b]pyridazin-6-yl)-2,9-diazaspiro[5.5]undecane
SMILESc1cc(-c2c(-c3ccsc3)nc3ccc(N4CCC5(CCCNC5)CC4)nn23)ccn1
InChIInChI=1S/C24H26N6S/c1-7-24(17-26-10-1)8-13-29(14-9-24)21-3-2-20-27-22(19-6-15-31-16-19)23(30(20)28-21)18-4-11-25-12-5-18/h2-6,11-12,15-16,26H,1,7-10,13-14,17H2
InChIKeyJUEXGUWUPBITRX-UHFFFAOYSA-N
XLogP4.49
TPSA58.35 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.58
LogP ≤ 54.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 9-(3-pyridin-4-yl-2-thiophen-3-ylimidazo[1,2-b]pyridazin-6-yl)-2,9-diazaspiro[5.5]undecane?
The IUPAC name of 9-(3-pyridin-4-yl-2-thiophen-3-ylimidazo[1,2-b]pyridazin-6-yl)-2,9-diazaspiro[5.5]undecane (CID 46245022) is 9-(3-pyridin-4-yl-2-thiophen-3-ylimidazo[1,2-b]pyridazin-6-yl)-2,9-diazaspiro[5.5]undecane.
What is the SMILES notation for 9-(3-pyridin-4-yl-2-thiophen-3-ylimidazo[1,2-b]pyridazin-6-yl)-2,9-diazaspiro[5.5]undecane?
The canonical SMILES for 9-(3-pyridin-4-yl-2-thiophen-3-ylimidazo[1,2-b]pyridazin-6-yl)-2,9-diazaspiro[5.5]undecane is c1cc(-c2c(-c3ccsc3)nc3ccc(N4CCC5(CCCNC5)CC4)nn23)ccn1.
What is the InChIKey of 9-(3-pyridin-4-yl-2-thiophen-3-ylimidazo[1,2-b]pyridazin-6-yl)-2,9-diazaspiro[5.5]undecane?
The InChIKey is JUEXGUWUPBITRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N6S/c1-7-24(17-26-10-1)8-13-29(14-9-24)21-3-2-20-27-22(19-6-15-31-16-19)23(30(20)28-21)18-4-11-25-12-5-18/h2-6,11-12,15-16,26H,1,7-10,13-14,17H2.
What are the key properties of 9-(3-pyridin-4-yl-2-thiophen-3-ylimidazo[1,2-b]pyridazin-6-yl)-2,9-diazaspiro[5.5]undecane?
9-(3-pyridin-4-yl-2-thiophen-3-ylimidazo[1,2-b]pyridazin-6-yl)-2,9-diazaspiro[5.5]undecane has a molecular weight of 430.58 g/mol, XLogP of 4.49, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(3-pyridin-4-yl-2-thiophen-3-ylimidazo[1,2-b]pyridazin-6-yl)-2,9-diazaspiro[5.5]undecane is sourced from PubChem (CID 46245022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).