7-(7-fluoro-2-methylindazol-5-yl)-2-(2,2,6,6-tetramethylpiperidin-4-yl)-[1,3]thiazolo[3,2-a]pyrimidin-5-one

C23H26FN5OS — CID 156888571

IUPAC7-(7-fluoro-2-methylindazol-5-yl)-2-(2,2,6,6-tetramethylpiperidin-4-yl)-[1,3]thiazolo[3,2-a]pyrimidin-5-one
SMILESCn1cc2cc(-c3cc(=O)n4cc(C5CC(C)(C)NC(C)(C)C5)sc4n3)cc(F)c2n1
InChIInChI=1S/C23H26FN5OS/c1-22(2)9-15(10-23(3,4)27-22)18-12-29-19(30)8-17(25-21(29)31-18)13-6-14-11-28(5)26-20(14)16(24)7-13/h6-8,11-12,15,27H,9-10H2,1-5H3
InChIKeyULSNXRNCTUCMRL-UHFFFAOYSA-N
MW439.56 g/mol
LogP4.47
Rot. Bonds2

About 7-(7-fluoro-2-methylindazol-5-yl)-2-(2,2,6,6-tetramethylpiperidin-4-yl)-[1,3]thiazolo[3,2-a]pyrimidin-5-one

7-(7-fluoro-2-methylindazol-5-yl)-2-(2,2,6,6-tetramethylpiperidin-4-yl)-[1,3]thiazolo[3,2-a]pyrimidin-5-one (PubChem CID 156888571) has the molecular formula C23H26FN5OS and a molecular weight of 439.56 g/mol. Its IUPAC name is 7-(7-fluoro-2-methylindazol-5-yl)-2-(2,2,6,6-tetramethylpiperidin-4-yl)-[1,3]thiazolo[3,2-a]pyrimidin-5-one.

Molecular Properties

Compound Name7-(7-fluoro-2-methylindazol-5-yl)-2-(2,2,6,6-tetramethylpiperidin-4-yl)-[1,3]thiazolo[3,2-a]pyrimidin-5-one
PubChem CID156888571
Molecular FormulaC23H26FN5OS
Molecular Weight439.56 g/mol
Exact Mass439.18
IUPAC Name7-(7-fluoro-2-methylindazol-5-yl)-2-(2,2,6,6-tetramethylpiperidin-4-yl)-[1,3]thiazolo[3,2-a]pyrimidin-5-one
SMILESCn1cc2cc(-c3cc(=O)n4cc(C5CC(C)(C)NC(C)(C)C5)sc4n3)cc(F)c2n1
InChIInChI=1S/C23H26FN5OS/c1-22(2)9-15(10-23(3,4)27-22)18-12-29-19(30)8-17(25-21(29)31-18)13-6-14-11-28(5)26-20(14)16(24)7-13/h6-8,11-12,15,27H,9-10H2,1-5H3
InChIKeyULSNXRNCTUCMRL-UHFFFAOYSA-N
XLogP4.47
TPSA64.22 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.56
LogP ≤ 54.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 7-(7-fluoro-2-methylindazol-5-yl)-2-(2,2,6,6-tetramethylpiperidin-4-yl)-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
The IUPAC name of 7-(7-fluoro-2-methylindazol-5-yl)-2-(2,2,6,6-tetramethylpiperidin-4-yl)-[1,3]thiazolo[3,2-a]pyrimidin-5-one (CID 156888571) is 7-(7-fluoro-2-methylindazol-5-yl)-2-(2,2,6,6-tetramethylpiperidin-4-yl)-[1,3]thiazolo[3,2-a]pyrimidin-5-one.
What is the SMILES notation for 7-(7-fluoro-2-methylindazol-5-yl)-2-(2,2,6,6-tetramethylpiperidin-4-yl)-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
The canonical SMILES for 7-(7-fluoro-2-methylindazol-5-yl)-2-(2,2,6,6-tetramethylpiperidin-4-yl)-[1,3]thiazolo[3,2-a]pyrimidin-5-one is Cn1cc2cc(-c3cc(=O)n4cc(C5CC(C)(C)NC(C)(C)C5)sc4n3)cc(F)c2n1.
What is the InChIKey of 7-(7-fluoro-2-methylindazol-5-yl)-2-(2,2,6,6-tetramethylpiperidin-4-yl)-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
The InChIKey is ULSNXRNCTUCMRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26FN5OS/c1-22(2)9-15(10-23(3,4)27-22)18-12-29-19(30)8-17(25-21(29)31-18)13-6-14-11-28(5)26-20(14)16(24)7-13/h6-8,11-12,15,27H,9-10H2,1-5H3.
What are the key properties of 7-(7-fluoro-2-methylindazol-5-yl)-2-(2,2,6,6-tetramethylpiperidin-4-yl)-[1,3]thiazolo[3,2-a]pyrimidin-5-one?
7-(7-fluoro-2-methylindazol-5-yl)-2-(2,2,6,6-tetramethylpiperidin-4-yl)-[1,3]thiazolo[3,2-a]pyrimidin-5-one has a molecular weight of 439.56 g/mol, XLogP of 4.47, 2 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(7-fluoro-2-methylindazol-5-yl)-2-(2,2,6,6-tetramethylpiperidin-4-yl)-[1,3]thiazolo[3,2-a]pyrimidin-5-one is sourced from PubChem (CID 156888571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).