3-[2-(1,2,3,3a,4,6,7,7a-octahydropyrrolo[3,4-c]pyridin-5-yl)-4-pyridinyl]-6-chloroimidazo[1,2-b]pyridazine

C18H19ClN6 — CID 139358187

IUPAC3-[2-(1,2,3,3a,4,6,7,7a-octahydropyrrolo[3,4-c]pyridin-5-yl)-4-pyridinyl]-6-chloroimidazo[1,2-b]pyridazine
SMILESClc1ccc2ncc(-c3ccnc(N4CCC5CNCC5C4)c3)n2n1
InChIInChI=1S/C18H19ClN6/c19-16-1-2-17-22-10-15(25(17)23-16)12-3-5-21-18(7-12)24-6-4-13-8-20-9-14(13)11-24/h1-3,5,7,10,13-14,20H,4,6,8-9,11H2
InChIKeyRANVKTKQNQPJQU-UHFFFAOYSA-N
MW354.85 g/mol
LogP2.49
Rot. Bonds2

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

3-[2-(1,2,3,3a,4,6,7,7a-octahydropyrrolo[3,4-c]pyridin-5-yl)-4-pyridinyl]-6-chloroimidazo[1,2-b]pyridazine (PubChem CID 139358187) has the molecular formula C18H19ClN6 and a molecular weight of 354.85 g/mol. Its IUPAC name is 3-[2-(1,2,3,3a,4,6,7,7a-octahydropyrrolo[3,4-c]pyridin-5-yl)-4-pyridinyl]-6-chloroimidazo[1,2-b]pyridazine.

Molecular Properties

Compound Name3-[2-(1,2,3,3a,4,6,7,7a-octahydropyrrolo[3,4-c]pyridin-5-yl)-4-pyridinyl]-6-chloroimidazo[1,2-b]pyridazine
PubChem CID139358187
Molecular FormulaC18H19ClN6
Molecular Weight354.85 g/mol
Exact Mass354.14
IUPAC Name3-[2-(1,2,3,3a,4,6,7,7a-octahydropyrrolo[3,4-c]pyridin-5-yl)-4-pyridinyl]-6-chloroimidazo[1,2-b]pyridazine
SMILESClc1ccc2ncc(-c3ccnc(N4CCC5CNCC5C4)c3)n2n1
InChIInChI=1S/C18H19ClN6/c19-16-1-2-17-22-10-15(25(17)23-16)12-3-5-21-18(7-12)24-6-4-13-8-20-9-14(13)11-24/h1-3,5,7,10,13-14,20H,4,6,8-9,11H2
InChIKeyRANVKTKQNQPJQU-UHFFFAOYSA-N
XLogP2.49
TPSA58.35 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.85
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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

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Related Compounds

3-[2-[3-(1H-imidazol-5-yl)piperidin-1-yl]-4-pyridinyl]-6-(trifluoromethyl)imidazo[1,2-b]pyridazine
CID 139357677
N-[1-[4-[6-(trifluoromethyl)imidazo[1,2-b]pyridazin-3-yl]-2-pyridinyl]piperidin-3-yl]methanesulfonamide
CID 139359419
5-(6-chloroimidazo[1,2-b]pyridazin-3-yl)-2-piperazin-1-ylbenzonitrile
CID 89494007
2-[1-[4-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]-2-pyridinyl]piperidin-4-yl]ethanol
CID 139357609
N-[[(2S)-4-[4-[6-(trifluoromethyl)imidazo[1,2-b]pyridazin-3-yl]-2-pyridinyl]morpholin-2-yl]methyl]methanesulfonamide
CID 139358146
(3S)-1-[4-[6-(6-pyrrolidin-1-ylimidazo[1,2-b]pyridazin-3-yl)-2-pyridinyl]-2-pyridinyl]pyrrolidin-3-ol
CID 118190619
N-[1-[4-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]-2-pyridinyl]piperidin-3-yl]methanesulfonamide
CID 152594271
6-chloro-3-[3-fluoro-4-[(3S,5R)-3,4,5-trimethylpiperazin-1-yl]phenyl]imidazo[1,2-b]pyridazine
CID 89494185
3-(1-benzofuran-6-yl)-6-chloroimidazo[1,2-b]pyridazine
CID 168873690
6-chloro-3-[4-(1-ethylpiperidin-4-yl)phenyl]imidazo[1,2-b]pyridazine
CID 89494434
3-(6-chloroimidazo[1,2-b]pyridazin-3-yl)aniline
CID 58857683
6-chloro-3-(6-methoxy-3-pyridinyl)imidazo[1,2-b]pyridazine
CID 58857859

Frequently Asked Questions

What is the IUPAC name of 3-[2-(1,2,3,3a,4,6,7,7a-octahydropyrrolo[3,4-c]pyridin-5-yl)-4-pyridinyl]-6-chloroimidazo[1,2-b]pyridazine?
The IUPAC name of 3-[2-(1,2,3,3a,4,6,7,7a-octahydropyrrolo[3,4-c]pyridin-5-yl)-4-pyridinyl]-6-chloroimidazo[1,2-b]pyridazine (CID 139358187) is 3-[2-(1,2,3,3a,4,6,7,7a-octahydropyrrolo[3,4-c]pyridin-5-yl)-4-pyridinyl]-6-chloroimidazo[1,2-b]pyridazine.
What is the SMILES notation for 3-[2-(1,2,3,3a,4,6,7,7a-octahydropyrrolo[3,4-c]pyridin-5-yl)-4-pyridinyl]-6-chloroimidazo[1,2-b]pyridazine?
The canonical SMILES for 3-[2-(1,2,3,3a,4,6,7,7a-octahydropyrrolo[3,4-c]pyridin-5-yl)-4-pyridinyl]-6-chloroimidazo[1,2-b]pyridazine is Clc1ccc2ncc(-c3ccnc(N4CCC5CNCC5C4)c3)n2n1.
What is the InChIKey of 3-[2-(1,2,3,3a,4,6,7,7a-octahydropyrrolo[3,4-c]pyridin-5-yl)-4-pyridinyl]-6-chloroimidazo[1,2-b]pyridazine?
The InChIKey is RANVKTKQNQPJQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19ClN6/c19-16-1-2-17-22-10-15(25(17)23-16)12-3-5-21-18(7-12)24-6-4-13-8-20-9-14(13)11-24/h1-3,5,7,10,13-14,20H,4,6,8-9,11H2.
What are the key properties of 3-[2-(1,2,3,3a,4,6,7,7a-octahydropyrrolo[3,4-c]pyridin-5-yl)-4-pyridinyl]-6-chloroimidazo[1,2-b]pyridazine?
3-[2-(1,2,3,3a,4,6,7,7a-octahydropyrrolo[3,4-c]pyridin-5-yl)-4-pyridinyl]-6-chloroimidazo[1,2-b]pyridazine has a molecular weight of 354.85 g/mol, XLogP of 2.49, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(1,2,3,3a,4,6,7,7a-octahydropyrrolo[3,4-c]pyridin-5-yl)-4-pyridinyl]-6-chloroimidazo[1,2-b]pyridazine is sourced from PubChem (CID 139358187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).