2-[(7R)-4-azaspiro[2.5]octan-7-yl]-7-(2,8-dimethylimidazo[1,2-b]pyridazin-6-yl)-[1,3]thiazolo[3,2-a]pyrimidin-5-one

C21H22N6OS — CID 165126273

IUPAC2-[(7R)-4-azaspiro[2.5]octan-7-yl]-7-(2,8-dimethylimidazo[1,2-b]pyridazin-6-yl)-[1,3]thiazolo[3,2-a]pyrimidin-5-one
SMILESCc1cn2nc(-c3cc(=O)n4cc([C@@H]5CCNC6(CC6)C5)sc4n3)cc(C)c2n1
InChIInChI=1S/C21H22N6OS/c1-12-7-16(25-27-10-13(2)23-19(12)27)15-8-18(28)26-11-17(29-20(26)24-15)14-3-6-22-21(9-14)4-5-21/h7-8,10-11,14,22H,3-6,9H2,1-2H3/t14-/m1/s1
InChIKeyYVNQRIPSBDDMHM-CQSZACIVSA-N
MW406.52 g/mol
LogP3.08
Rot. Bonds2

About 2-[(7R)-4-azaspiro[2.5]octan-7-yl]-7-(2,8-dimethylimidazo[1,2-b]pyridazin-6-yl)-[1,3]thiazolo[3,2-a]pyrimidin-5-one

2-[(7R)-4-azaspiro[2.5]octan-7-yl]-7-(2,8-dimethylimidazo[1,2-b]pyridazin-6-yl)-[1,3]thiazolo[3,2-a]pyrimidin-5-one (PubChem CID 165126273) has the molecular formula C21H22N6OS and a molecular weight of 406.52 g/mol. Its IUPAC name is 2-[(7R)-4-azaspiro[2.5]octan-7-yl]-7-(2,8-dimethylimidazo[1,2-b]pyridazin-6-yl)-[1,3]thiazolo[3,2-a]pyrimidin-5-one.

Molecular Properties

Compound Name2-[(7R)-4-azaspiro[2.5]octan-7-yl]-7-(2,8-dimethylimidazo[1,2-b]pyridazin-6-yl)-[1,3]thiazolo[3,2-a]pyrimidin-5-one
PubChem CID165126273
Molecular FormulaC21H22N6OS
Molecular Weight406.52 g/mol
Exact Mass406.16
IUPAC Name2-[(7R)-4-azaspiro[2.5]octan-7-yl]-7-(2,8-dimethylimidazo[1,2-b]pyridazin-6-yl)-[1,3]thiazolo[3,2-a]pyrimidin-5-one
SMILESCc1cn2nc(-c3cc(=O)n4cc([C@@H]5CCNC6(CC6)C5)sc4n3)cc(C)c2n1
InChIInChI=1S/C21H22N6OS/c1-12-7-16(25-27-10-13(2)23-19(12)27)15-8-18(28)26-11-17(29-20(26)24-15)14-3-6-22-21(9-14)4-5-21/h7-8,10-11,14,22H,3-6,9H2,1-2H3/t14-/m1/s1
InChIKeyYVNQRIPSBDDMHM-CQSZACIVSA-N
XLogP3.08
TPSA76.59 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds2
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.52
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 2-[(7R)-4-azaspiro[2.5]octan-7-yl]-7-(2,8-dimethylimidazo[1,2-b]pyridazin-6-yl)-[1,3]thiazolo[3,2-a]pyrimidin-5-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-[(7R)-4-azaspiro[2.5]octan-7-yl]-7-(2,8-dimethylimidazo[1,2-b]pyridazin-6-yl)-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
The IUPAC name of 2-[(7R)-4-azaspiro[2.5]octan-7-yl]-7-(2,8-dimethylimidazo[1,2-b]pyridazin-6-yl)-[1,3]thiazolo[3,2-a]pyrimidin-5-one (CID 165126273) is 2-[(7R)-4-azaspiro[2.5]octan-7-yl]-7-(2,8-dimethylimidazo[1,2-b]pyridazin-6-yl)-[1,3]thiazolo[3,2-a]pyrimidin-5-one.
What is the SMILES notation for 2-[(7R)-4-azaspiro[2.5]octan-7-yl]-7-(2,8-dimethylimidazo[1,2-b]pyridazin-6-yl)-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
The canonical SMILES for 2-[(7R)-4-azaspiro[2.5]octan-7-yl]-7-(2,8-dimethylimidazo[1,2-b]pyridazin-6-yl)-[1,3]thiazolo[3,2-a]pyrimidin-5-one is Cc1cn2nc(-c3cc(=O)n4cc([C@@H]5CCNC6(CC6)C5)sc4n3)cc(C)c2n1.
What is the InChIKey of 2-[(7R)-4-azaspiro[2.5]octan-7-yl]-7-(2,8-dimethylimidazo[1,2-b]pyridazin-6-yl)-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
The InChIKey is YVNQRIPSBDDMHM-CQSZACIVSA-N. The full InChI is InChI=1S/C21H22N6OS/c1-12-7-16(25-27-10-13(2)23-19(12)27)15-8-18(28)26-11-17(29-20(26)24-15)14-3-6-22-21(9-14)4-5-21/h7-8,10-11,14,22H,3-6,9H2,1-2H3/t14-/m1/s1.
What are the key properties of 2-[(7R)-4-azaspiro[2.5]octan-7-yl]-7-(2,8-dimethylimidazo[1,2-b]pyridazin-6-yl)-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
2-[(7R)-4-azaspiro[2.5]octan-7-yl]-7-(2,8-dimethylimidazo[1,2-b]pyridazin-6-yl)-[1,3]thiazolo[3,2-a]pyrimidin-5-one has a molecular weight of 406.52 g/mol, XLogP of 3.08, 2 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(7R)-4-azaspiro[2.5]octan-7-yl]-7-(2,8-dimethylimidazo[1,2-b]pyridazin-6-yl)-[1,3]thiazolo[3,2-a]pyrimidin-5-one is sourced from PubChem (CID 165126273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).