6-(1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridin-6-yl)-3-pyridin-4-yl-2-thiophen-2-ylimidazo[1,2-b]pyridazine

C22H22N6S — CID 46244848

IUPAC6-(1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridin-6-yl)-3-pyridin-4-yl-2-thiophen-2-ylimidazo[1,2-b]pyridazine
SMILESc1csc(-c2nc3ccc(N4CC5CCCNC5C4)nn3c2-c2ccncc2)c1
InChIInChI=1S/C22H22N6S/c1-3-16-13-27(14-17(16)24-9-1)20-6-5-19-25-21(18-4-2-12-29-18)22(28(19)26-20)15-7-10-23-11-8-15/h2,4-8,10-12,16-17,24H,1,3,9,13-14H2
InChIKeyQLUXOBOBTYFVGW-UHFFFAOYSA-N
MW402.53 g/mol
LogP3.71
Rot. Bonds3

About 6-(1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridin-6-yl)-3-pyridin-4-yl-2-thiophen-2-ylimidazo[1,2-b]pyridazine

6-(1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridin-6-yl)-3-pyridin-4-yl-2-thiophen-2-ylimidazo[1,2-b]pyridazine (PubChem CID 46244848) has the molecular formula C22H22N6S and a molecular weight of 402.53 g/mol. Its IUPAC name is 6-(1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridin-6-yl)-3-pyridin-4-yl-2-thiophen-2-ylimidazo[1,2-b]pyridazine.

Molecular Properties

Compound Name6-(1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridin-6-yl)-3-pyridin-4-yl-2-thiophen-2-ylimidazo[1,2-b]pyridazine
PubChem CID46244848
Molecular FormulaC22H22N6S
Molecular Weight402.53 g/mol
Exact Mass402.16
IUPAC Name6-(1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridin-6-yl)-3-pyridin-4-yl-2-thiophen-2-ylimidazo[1,2-b]pyridazine
SMILESc1csc(-c2nc3ccc(N4CC5CCCNC5C4)nn3c2-c2ccncc2)c1
InChIInChI=1S/C22H22N6S/c1-3-16-13-27(14-17(16)24-9-1)20-6-5-19-25-21(18-4-2-12-29-18)22(28(19)26-20)15-7-10-23-11-8-15/h2,4-8,10-12,16-17,24H,1,3,9,13-14H2
InChIKeyQLUXOBOBTYFVGW-UHFFFAOYSA-N
XLogP3.71
TPSA58.35 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.53
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 6-(1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridin-6-yl)-3-pyridin-4-yl-2-thiophen-2-ylimidazo[1,2-b]pyridazine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 6-(1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridin-6-yl)-3-pyridin-4-yl-2-thiophen-2-ylimidazo[1,2-b]pyridazine?
The IUPAC name of 6-(1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridin-6-yl)-3-pyridin-4-yl-2-thiophen-2-ylimidazo[1,2-b]pyridazine (CID 46244848) is 6-(1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridin-6-yl)-3-pyridin-4-yl-2-thiophen-2-ylimidazo[1,2-b]pyridazine.
What is the SMILES notation for 6-(1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridin-6-yl)-3-pyridin-4-yl-2-thiophen-2-ylimidazo[1,2-b]pyridazine?
The canonical SMILES for 6-(1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridin-6-yl)-3-pyridin-4-yl-2-thiophen-2-ylimidazo[1,2-b]pyridazine is c1csc(-c2nc3ccc(N4CC5CCCNC5C4)nn3c2-c2ccncc2)c1.
What is the InChIKey of 6-(1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridin-6-yl)-3-pyridin-4-yl-2-thiophen-2-ylimidazo[1,2-b]pyridazine?
The InChIKey is QLUXOBOBTYFVGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N6S/c1-3-16-13-27(14-17(16)24-9-1)20-6-5-19-25-21(18-4-2-12-29-18)22(28(19)26-20)15-7-10-23-11-8-15/h2,4-8,10-12,16-17,24H,1,3,9,13-14H2.
What are the key properties of 6-(1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridin-6-yl)-3-pyridin-4-yl-2-thiophen-2-ylimidazo[1,2-b]pyridazine?
6-(1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridin-6-yl)-3-pyridin-4-yl-2-thiophen-2-ylimidazo[1,2-b]pyridazine has a molecular weight of 402.53 g/mol, XLogP of 3.71, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridin-6-yl)-3-pyridin-4-yl-2-thiophen-2-ylimidazo[1,2-b]pyridazine is sourced from PubChem (CID 46244848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).