6-[(3aR,6aS)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]-3-pyridin-4-yl-2-thiophen-3-ylimidazo[1,2-b]pyridazine

C21H20N6S — CID 46836952

IUPAC6-[(3aR,6aS)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]-3-pyridin-4-yl-2-thiophen-3-ylimidazo[1,2-b]pyridazine
SMILESc1cc(-c2c(-c3ccsc3)nc3ccc(N4C[C@H]5CNC[C@H]5C4)nn23)ccn1
InChIInChI=1S/C21H20N6S/c1-2-19(26-11-16-9-23-10-17(16)12-26)25-27-18(1)24-20(15-5-8-28-13-15)21(27)14-3-6-22-7-4-14/h1-8,13,16-17,23H,9-12H2/t16-,17+
InChIKeyCRJNSNHXWGTIPE-CALCHBBNSA-N
MW388.50 g/mol
LogP3.18
Rot. Bonds3

About 6-[(3aR,6aS)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]-3-pyridin-4-yl-2-thiophen-3-ylimidazo[1,2-b]pyridazine

6-[(3aR,6aS)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]-3-pyridin-4-yl-2-thiophen-3-ylimidazo[1,2-b]pyridazine (PubChem CID 46836952) has the molecular formula C21H20N6S and a molecular weight of 388.50 g/mol. Its IUPAC name is 6-[(3aR,6aS)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]-3-pyridin-4-yl-2-thiophen-3-ylimidazo[1,2-b]pyridazine.

Molecular Properties

Compound Name6-[(3aR,6aS)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]-3-pyridin-4-yl-2-thiophen-3-ylimidazo[1,2-b]pyridazine
PubChem CID46836952
Molecular FormulaC21H20N6S
Molecular Weight388.50 g/mol
Exact Mass388.15
IUPAC Name6-[(3aR,6aS)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]-3-pyridin-4-yl-2-thiophen-3-ylimidazo[1,2-b]pyridazine
SMILESc1cc(-c2c(-c3ccsc3)nc3ccc(N4C[C@H]5CNC[C@H]5C4)nn23)ccn1
InChIInChI=1S/C21H20N6S/c1-2-19(26-11-16-9-23-10-17(16)12-26)25-27-18(1)24-20(15-5-8-28-13-15)21(27)14-3-6-22-7-4-14/h1-8,13,16-17,23H,9-12H2/t16-,17+
InChIKeyCRJNSNHXWGTIPE-CALCHBBNSA-N
XLogP3.18
TPSA58.35 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.50
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 6-[(3aR,6aS)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]-3-pyridin-4-yl-2-thiophen-3-ylimidazo[1,2-b]pyridazine with MolForge

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Launch Full Analysis

Related Compounds

6-(2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)-2-phenyl-3-pyridin-4-ylimidazo[1,2-b]pyridazine
CID 68514785
6-(2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)-3-pyridin-4-yl-2-thiophen-2-ylimidazo[1,2-b]pyridazine
CID 75216343
9-(3-pyridin-4-yl-2-thiophen-3-ylimidazo[1,2-b]pyridazin-6-yl)-2,9-diazaspiro[5.5]undecane
CID 46245022
6-(2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)-2-(4-fluorophenyl)-3-pyridazin-4-ylimidazo[1,2-b]pyridazine
CID 25226802
2-methyl-1-[4-(3-pyridin-4-yl-2-thiophen-3-ylimidazo[1,2-b]pyridazin-6-yl)piperazin-1-yl]propan-2-ol
CID 46836319
6-[(4aR,7aR)-1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridin-6-yl]-2-phenyl-3-pyridin-4-ylimidazo[1,2-b]pyridazine
CID 68517110
6-(2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)-2-(4-fluorophenyl)-3-(2-methoxy-4-pyridinyl)imidazo[1,2-b]pyridazine
CID 68519598
2-(3,5-difluorophenyl)-6-[(3R,5S)-3,5-dimethylpiperazin-1-yl]-3-pyridin-4-ylimidazo[1,2-b]pyridazine
CID 25144234
2-(4-fluorophenyl)-6-[(3S)-3-methylpiperazin-1-yl]-3-pyridin-4-ylimidazo[1,2-b]pyridazine
CID 25143825
2-(cyclobutadienyl)-6-piperazin-1-yl-3-pyridin-4-ylimidazo[1,2-b]pyridazine
CID 66698021
6-piperidin-1-yl-3-pyridin-4-yl-2-thiophen-2-ylimidazo[1,2-b]pyridazine
CID 46197475
1-[2-(4-fluorophenyl)-3-pyridin-4-ylimidazo[1,2-b]pyridazin-6-yl]-N,N-dimethylpyrrolidin-3-amine
CID 25144809

Frequently Asked Questions

What is the IUPAC name of 6-[(3aR,6aS)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]-3-pyridin-4-yl-2-thiophen-3-ylimidazo[1,2-b]pyridazine?
The IUPAC name of 6-[(3aR,6aS)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]-3-pyridin-4-yl-2-thiophen-3-ylimidazo[1,2-b]pyridazine (CID 46836952) is 6-[(3aR,6aS)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]-3-pyridin-4-yl-2-thiophen-3-ylimidazo[1,2-b]pyridazine.
What is the SMILES notation for 6-[(3aR,6aS)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]-3-pyridin-4-yl-2-thiophen-3-ylimidazo[1,2-b]pyridazine?
The canonical SMILES for 6-[(3aR,6aS)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]-3-pyridin-4-yl-2-thiophen-3-ylimidazo[1,2-b]pyridazine is c1cc(-c2c(-c3ccsc3)nc3ccc(N4C[C@H]5CNC[C@H]5C4)nn23)ccn1.
What is the InChIKey of 6-[(3aR,6aS)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]-3-pyridin-4-yl-2-thiophen-3-ylimidazo[1,2-b]pyridazine?
The InChIKey is CRJNSNHXWGTIPE-CALCHBBNSA-N. The full InChI is InChI=1S/C21H20N6S/c1-2-19(26-11-16-9-23-10-17(16)12-26)25-27-18(1)24-20(15-5-8-28-13-15)21(27)14-3-6-22-7-4-14/h1-8,13,16-17,23H,9-12H2/t16-,17+.
What are the key properties of 6-[(3aR,6aS)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]-3-pyridin-4-yl-2-thiophen-3-ylimidazo[1,2-b]pyridazine?
6-[(3aR,6aS)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]-3-pyridin-4-yl-2-thiophen-3-ylimidazo[1,2-b]pyridazine has a molecular weight of 388.50 g/mol, XLogP of 3.18, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(3aR,6aS)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]-3-pyridin-4-yl-2-thiophen-3-ylimidazo[1,2-b]pyridazine is sourced from PubChem (CID 46836952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).