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

C22H21ClN6S — CID 46836262

IUPAC6-(1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridin-6-yl)-2-(5-chlorothiophen-2-yl)-3-pyridin-4-ylimidazo[1,2-b]pyridazine
SMILESClc1ccc(-c2nc3ccc(N4CC5CCCNC5C4)nn3c2-c2ccncc2)s1
InChIInChI=1S/C22H21ClN6S/c23-18-4-3-17(30-18)21-22(14-7-10-24-11-8-14)29-19(26-21)5-6-20(27-29)28-12-15-2-1-9-25-16(15)13-28/h3-8,10-11,15-16,25H,1-2,9,12-13H2
InChIKeyMYXPADRUPKSYLK-UHFFFAOYSA-N
MW436.97 g/mol
LogP4.36
Rot. Bonds3

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

6-(1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridin-6-yl)-2-(5-chlorothiophen-2-yl)-3-pyridin-4-ylimidazo[1,2-b]pyridazine (PubChem CID 46836262) has the molecular formula C22H21ClN6S and a molecular weight of 436.97 g/mol. Its IUPAC name is 6-(1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridin-6-yl)-2-(5-chlorothiophen-2-yl)-3-pyridin-4-ylimidazo[1,2-b]pyridazine.

Molecular Properties

Compound Name6-(1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridin-6-yl)-2-(5-chlorothiophen-2-yl)-3-pyridin-4-ylimidazo[1,2-b]pyridazine
PubChem CID46836262
Molecular FormulaC22H21ClN6S
Molecular Weight436.97 g/mol
Exact Mass436.12
IUPAC Name6-(1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridin-6-yl)-2-(5-chlorothiophen-2-yl)-3-pyridin-4-ylimidazo[1,2-b]pyridazine
SMILESClc1ccc(-c2nc3ccc(N4CC5CCCNC5C4)nn3c2-c2ccncc2)s1
InChIInChI=1S/C22H21ClN6S/c23-18-4-3-17(30-18)21-22(14-7-10-24-11-8-14)29-19(26-21)5-6-20(27-29)28-12-15-2-1-9-25-16(15)13-28/h3-8,10-11,15-16,25H,1-2,9,12-13H2
InChIKeyMYXPADRUPKSYLK-UHFFFAOYSA-N
XLogP4.36
TPSA58.35 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.97
LogP ≤ 54.36
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)-2-(5-chlorothiophen-2-yl)-3-pyridin-4-ylimidazo[1,2-b]pyridazine with MolForge

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Related Compounds

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CID 136214328

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)-2-(5-chlorothiophen-2-yl)-3-pyridin-4-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)-2-(5-chlorothiophen-2-yl)-3-pyridin-4-ylimidazo[1,2-b]pyridazine (CID 46836262) is 6-(1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridin-6-yl)-2-(5-chlorothiophen-2-yl)-3-pyridin-4-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)-2-(5-chlorothiophen-2-yl)-3-pyridin-4-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)-2-(5-chlorothiophen-2-yl)-3-pyridin-4-ylimidazo[1,2-b]pyridazine is Clc1ccc(-c2nc3ccc(N4CC5CCCNC5C4)nn3c2-c2ccncc2)s1.
What is the InChIKey of 6-(1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridin-6-yl)-2-(5-chlorothiophen-2-yl)-3-pyridin-4-ylimidazo[1,2-b]pyridazine?
The InChIKey is MYXPADRUPKSYLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21ClN6S/c23-18-4-3-17(30-18)21-22(14-7-10-24-11-8-14)29-19(26-21)5-6-20(27-29)28-12-15-2-1-9-25-16(15)13-28/h3-8,10-11,15-16,25H,1-2,9,12-13H2.
What are the key properties of 6-(1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridin-6-yl)-2-(5-chlorothiophen-2-yl)-3-pyridin-4-ylimidazo[1,2-b]pyridazine?
6-(1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridin-6-yl)-2-(5-chlorothiophen-2-yl)-3-pyridin-4-ylimidazo[1,2-b]pyridazine has a molecular weight of 436.97 g/mol, XLogP of 4.36, 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)-2-(5-chlorothiophen-2-yl)-3-pyridin-4-ylimidazo[1,2-b]pyridazine is sourced from PubChem (CID 46836262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).