7-(2,8-dimethylimidazo[1,2-b]pyridazin-6-yl)-2-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-[1,3]thiazolo[3,2-a]pyrimidin-5-one

C24H31N7OS — CID 156888815

IUPAC7-(2,8-dimethylimidazo[1,2-b]pyridazin-6-yl)-2-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-[1,3]thiazolo[3,2-a]pyrimidin-5-one
SMILESCc1cn2nc(-c3cc(=O)n4cc(N(C)C5CC(C)(C)NC(C)(C)C5)sc4n3)cc(C)c2n1
InChIInChI=1S/C24H31N7OS/c1-14-8-18(27-31-12-15(2)25-21(14)31)17-9-19(32)30-13-20(33-22(30)26-17)29(7)16-10-23(3,4)28-24(5,6)11-16/h8-9,12-13,16,28H,10-11H2,1-7H3
InChIKeyYVJFSNHKYLHHBW-UHFFFAOYSA-N
MW465.63 g/mol
LogP3.83
Rot. Bonds3

About 7-(2,8-dimethylimidazo[1,2-b]pyridazin-6-yl)-2-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-[1,3]thiazolo[3,2-a]pyrimidin-5-one

7-(2,8-dimethylimidazo[1,2-b]pyridazin-6-yl)-2-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-[1,3]thiazolo[3,2-a]pyrimidin-5-one (PubChem CID 156888815) has the molecular formula C24H31N7OS and a molecular weight of 465.63 g/mol. Its IUPAC name is 7-(2,8-dimethylimidazo[1,2-b]pyridazin-6-yl)-2-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-[1,3]thiazolo[3,2-a]pyrimidin-5-one.

Molecular Properties

Compound Name7-(2,8-dimethylimidazo[1,2-b]pyridazin-6-yl)-2-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-[1,3]thiazolo[3,2-a]pyrimidin-5-one
PubChem CID156888815
Molecular FormulaC24H31N7OS
Molecular Weight465.63 g/mol
Exact Mass465.23
IUPAC Name7-(2,8-dimethylimidazo[1,2-b]pyridazin-6-yl)-2-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-[1,3]thiazolo[3,2-a]pyrimidin-5-one
SMILESCc1cn2nc(-c3cc(=O)n4cc(N(C)C5CC(C)(C)NC(C)(C)C5)sc4n3)cc(C)c2n1
InChIInChI=1S/C24H31N7OS/c1-14-8-18(27-31-12-15(2)25-21(14)31)17-9-19(32)30-13-20(33-22(30)26-17)29(7)16-10-23(3,4)28-24(5,6)11-16/h8-9,12-13,16,28H,10-11H2,1-7H3
InChIKeyYVJFSNHKYLHHBW-UHFFFAOYSA-N
XLogP3.83
TPSA79.83 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds3
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500465.63
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze 7-(2,8-dimethylimidazo[1,2-b]pyridazin-6-yl)-2-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-[1,3]thiazolo[3,2-a]pyrimidin-5-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 7-(2,8-dimethylimidazo[1,2-b]pyridazin-6-yl)-2-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
The IUPAC name of 7-(2,8-dimethylimidazo[1,2-b]pyridazin-6-yl)-2-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-[1,3]thiazolo[3,2-a]pyrimidin-5-one (CID 156888815) is 7-(2,8-dimethylimidazo[1,2-b]pyridazin-6-yl)-2-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-[1,3]thiazolo[3,2-a]pyrimidin-5-one.
What is the SMILES notation for 7-(2,8-dimethylimidazo[1,2-b]pyridazin-6-yl)-2-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
The canonical SMILES for 7-(2,8-dimethylimidazo[1,2-b]pyridazin-6-yl)-2-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-[1,3]thiazolo[3,2-a]pyrimidin-5-one is Cc1cn2nc(-c3cc(=O)n4cc(N(C)C5CC(C)(C)NC(C)(C)C5)sc4n3)cc(C)c2n1.
What is the InChIKey of 7-(2,8-dimethylimidazo[1,2-b]pyridazin-6-yl)-2-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
The InChIKey is YVJFSNHKYLHHBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31N7OS/c1-14-8-18(27-31-12-15(2)25-21(14)31)17-9-19(32)30-13-20(33-22(30)26-17)29(7)16-10-23(3,4)28-24(5,6)11-16/h8-9,12-13,16,28H,10-11H2,1-7H3.
What are the key properties of 7-(2,8-dimethylimidazo[1,2-b]pyridazin-6-yl)-2-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
7-(2,8-dimethylimidazo[1,2-b]pyridazin-6-yl)-2-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-[1,3]thiazolo[3,2-a]pyrimidin-5-one has a molecular weight of 465.63 g/mol, XLogP of 3.83, 3 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(2,8-dimethylimidazo[1,2-b]pyridazin-6-yl)-2-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-[1,3]thiazolo[3,2-a]pyrimidin-5-one is sourced from PubChem (CID 156888815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).