7-(2,8-dimethylimidazo[1,2-b]pyridazin-6-yl)-2-pyrrolidin-3-yl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one

C17H17N7OS — CID 165126331

IUPAC7-(2,8-dimethylimidazo[1,2-b]pyridazin-6-yl)-2-pyrrolidin-3-yl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one
SMILESCc1cn2nc(-c3cc(=O)n4nc(C5CCNC5)sc4n3)cc(C)c2n1
InChIInChI=1S/C17H17N7OS/c1-9-5-13(21-23-8-10(2)19-15(9)23)12-6-14(25)24-17(20-12)26-16(22-24)11-3-4-18-7-11/h5-6,8,11,18H,3-4,7H2,1-2H3
InChIKeyRRFRAYAPVBCSSU-UHFFFAOYSA-N
MW367.44 g/mol
LogP1.55
Rot. Bonds2

About 7-(2,8-dimethylimidazo[1,2-b]pyridazin-6-yl)-2-pyrrolidin-3-yl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one

7-(2,8-dimethylimidazo[1,2-b]pyridazin-6-yl)-2-pyrrolidin-3-yl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one (PubChem CID 165126331) has the molecular formula C17H17N7OS and a molecular weight of 367.44 g/mol. Its IUPAC name is 7-(2,8-dimethylimidazo[1,2-b]pyridazin-6-yl)-2-pyrrolidin-3-yl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one.

Molecular Properties

Compound Name7-(2,8-dimethylimidazo[1,2-b]pyridazin-6-yl)-2-pyrrolidin-3-yl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one
PubChem CID165126331
Molecular FormulaC17H17N7OS
Molecular Weight367.44 g/mol
Exact Mass367.12
IUPAC Name7-(2,8-dimethylimidazo[1,2-b]pyridazin-6-yl)-2-pyrrolidin-3-yl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one
SMILESCc1cn2nc(-c3cc(=O)n4nc(C5CCNC5)sc4n3)cc(C)c2n1
InChIInChI=1S/C17H17N7OS/c1-9-5-13(21-23-8-10(2)19-15(9)23)12-6-14(25)24-17(20-12)26-16(22-24)11-3-4-18-7-11/h5-6,8,11,18H,3-4,7H2,1-2H3
InChIKeyRRFRAYAPVBCSSU-UHFFFAOYSA-N
XLogP1.55
TPSA89.48 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.44
LogP ≤ 51.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 7-(2,8-dimethylimidazo[1,2-b]pyridazin-6-yl)-2-pyrrolidin-3-yl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one?
The IUPAC name of 7-(2,8-dimethylimidazo[1,2-b]pyridazin-6-yl)-2-pyrrolidin-3-yl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one (CID 165126331) is 7-(2,8-dimethylimidazo[1,2-b]pyridazin-6-yl)-2-pyrrolidin-3-yl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one.
What is the SMILES notation for 7-(2,8-dimethylimidazo[1,2-b]pyridazin-6-yl)-2-pyrrolidin-3-yl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one?
The canonical SMILES for 7-(2,8-dimethylimidazo[1,2-b]pyridazin-6-yl)-2-pyrrolidin-3-yl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one is Cc1cn2nc(-c3cc(=O)n4nc(C5CCNC5)sc4n3)cc(C)c2n1.
What is the InChIKey of 7-(2,8-dimethylimidazo[1,2-b]pyridazin-6-yl)-2-pyrrolidin-3-yl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one?
The InChIKey is RRFRAYAPVBCSSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N7OS/c1-9-5-13(21-23-8-10(2)19-15(9)23)12-6-14(25)24-17(20-12)26-16(22-24)11-3-4-18-7-11/h5-6,8,11,18H,3-4,7H2,1-2H3.
What are the key properties of 7-(2,8-dimethylimidazo[1,2-b]pyridazin-6-yl)-2-pyrrolidin-3-yl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one?
7-(2,8-dimethylimidazo[1,2-b]pyridazin-6-yl)-2-pyrrolidin-3-yl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one has a molecular weight of 367.44 g/mol, XLogP of 1.55, 2 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-pyrrolidin-3-yl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one is sourced from PubChem (CID 165126331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).