2-(2,8-dimethylimidazo[1,2-b]pyridazin-6-yl)-5-(6-methyl-2,6-diazaspiro[3.3]heptan-2-yl)thieno[3,2-c]pyrazole

C19H21N7S — CID 162433098

IUPAC2-(2,8-dimethylimidazo[1,2-b]pyridazin-6-yl)-5-(6-methyl-2,6-diazaspiro[3.3]heptan-2-yl)thieno[3,2-c]pyrazole
SMILESCc1cn2nc(-n3cc4sc(N5CC6(CN(C)C6)C5)cc4n3)cc(C)c2n1
InChIInChI=1S/C19H21N7S/c1-12-4-16(22-26-6-13(2)20-18(12)26)25-7-15-14(21-25)5-17(27-15)24-10-19(11-24)8-23(3)9-19/h4-7H,8-11H2,1-3H3
InChIKeyOSOMNZFAHBGIDE-UHFFFAOYSA-N
MW379.49 g/mol
LogP2.50
Rot. Bonds2

About 2-(2,8-dimethylimidazo[1,2-b]pyridazin-6-yl)-5-(6-methyl-2,6-diazaspiro[3.3]heptan-2-yl)thieno[3,2-c]pyrazole

2-(2,8-dimethylimidazo[1,2-b]pyridazin-6-yl)-5-(6-methyl-2,6-diazaspiro[3.3]heptan-2-yl)thieno[3,2-c]pyrazole (PubChem CID 162433098) has the molecular formula C19H21N7S and a molecular weight of 379.49 g/mol. Its IUPAC name is 2-(2,8-dimethylimidazo[1,2-b]pyridazin-6-yl)-5-(6-methyl-2,6-diazaspiro[3.3]heptan-2-yl)thieno[3,2-c]pyrazole.

Molecular Properties

Compound Name2-(2,8-dimethylimidazo[1,2-b]pyridazin-6-yl)-5-(6-methyl-2,6-diazaspiro[3.3]heptan-2-yl)thieno[3,2-c]pyrazole
PubChem CID162433098
Molecular FormulaC19H21N7S
Molecular Weight379.49 g/mol
Exact Mass379.16
IUPAC Name2-(2,8-dimethylimidazo[1,2-b]pyridazin-6-yl)-5-(6-methyl-2,6-diazaspiro[3.3]heptan-2-yl)thieno[3,2-c]pyrazole
SMILESCc1cn2nc(-n3cc4sc(N5CC6(CN(C)C6)C5)cc4n3)cc(C)c2n1
InChIInChI=1S/C19H21N7S/c1-12-4-16(22-26-6-13(2)20-18(12)26)25-7-15-14(21-25)5-17(27-15)24-10-19(11-24)8-23(3)9-19/h4-7H,8-11H2,1-3H3
InChIKeyOSOMNZFAHBGIDE-UHFFFAOYSA-N
XLogP2.50
TPSA54.49 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.49
LogP ≤ 52.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 2-(2,8-dimethylimidazo[1,2-b]pyridazin-6-yl)-5-(6-methyl-2,6-diazaspiro[3.3]heptan-2-yl)thieno[3,2-c]pyrazole with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-(2,8-dimethylimidazo[1,2-b]pyridazin-6-yl)-5-(6-methyl-2,6-diazaspiro[3.3]heptan-2-yl)thieno[3,2-c]pyrazole?
The IUPAC name of 2-(2,8-dimethylimidazo[1,2-b]pyridazin-6-yl)-5-(6-methyl-2,6-diazaspiro[3.3]heptan-2-yl)thieno[3,2-c]pyrazole (CID 162433098) is 2-(2,8-dimethylimidazo[1,2-b]pyridazin-6-yl)-5-(6-methyl-2,6-diazaspiro[3.3]heptan-2-yl)thieno[3,2-c]pyrazole.
What is the SMILES notation for 2-(2,8-dimethylimidazo[1,2-b]pyridazin-6-yl)-5-(6-methyl-2,6-diazaspiro[3.3]heptan-2-yl)thieno[3,2-c]pyrazole?
The canonical SMILES for 2-(2,8-dimethylimidazo[1,2-b]pyridazin-6-yl)-5-(6-methyl-2,6-diazaspiro[3.3]heptan-2-yl)thieno[3,2-c]pyrazole is Cc1cn2nc(-n3cc4sc(N5CC6(CN(C)C6)C5)cc4n3)cc(C)c2n1.
What is the InChIKey of 2-(2,8-dimethylimidazo[1,2-b]pyridazin-6-yl)-5-(6-methyl-2,6-diazaspiro[3.3]heptan-2-yl)thieno[3,2-c]pyrazole?
The InChIKey is OSOMNZFAHBGIDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N7S/c1-12-4-16(22-26-6-13(2)20-18(12)26)25-7-15-14(21-25)5-17(27-15)24-10-19(11-24)8-23(3)9-19/h4-7H,8-11H2,1-3H3.
What are the key properties of 2-(2,8-dimethylimidazo[1,2-b]pyridazin-6-yl)-5-(6-methyl-2,6-diazaspiro[3.3]heptan-2-yl)thieno[3,2-c]pyrazole?
2-(2,8-dimethylimidazo[1,2-b]pyridazin-6-yl)-5-(6-methyl-2,6-diazaspiro[3.3]heptan-2-yl)thieno[3,2-c]pyrazole has a molecular weight of 379.49 g/mol, XLogP of 2.50, 2 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,8-dimethylimidazo[1,2-b]pyridazin-6-yl)-5-(6-methyl-2,6-diazaspiro[3.3]heptan-2-yl)thieno[3,2-c]pyrazole is sourced from PubChem (CID 162433098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).