5-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-2-piperazin-1-yl-6H-[1,3]thiazolo[5,4-d]pyrimidin-7-one

C17H16FN7OS — CID 156888731

IUPAC5-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-2-piperazin-1-yl-6H-[1,3]thiazolo[5,4-d]pyrimidin-7-one
SMILESCc1cn2cc(-c3nc4sc(N5CCNCC5)nc4c(=O)[nH]3)cc(F)c2n1
InChIInChI=1S/C17H16FN7OS/c1-9-7-25-8-10(6-11(18)14(25)20-9)13-22-15(26)12-16(23-13)27-17(21-12)24-4-2-19-3-5-24/h6-8,19H,2-5H2,1H3,(H,22,23,26)
InChIKeyLBPIAZDNALBAQK-UHFFFAOYSA-N
MW385.43 g/mol
LogP1.55
Rot. Bonds2

About 5-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-2-piperazin-1-yl-6H-[1,3]thiazolo[5,4-d]pyrimidin-7-one

5-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-2-piperazin-1-yl-6H-[1,3]thiazolo[5,4-d]pyrimidin-7-one (PubChem CID 156888731) has the molecular formula C17H16FN7OS and a molecular weight of 385.43 g/mol. Its IUPAC name is 5-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-2-piperazin-1-yl-6H-[1,3]thiazolo[5,4-d]pyrimidin-7-one.

Molecular Properties

Compound Name5-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-2-piperazin-1-yl-6H-[1,3]thiazolo[5,4-d]pyrimidin-7-one
PubChem CID156888731
Molecular FormulaC17H16FN7OS
Molecular Weight385.43 g/mol
Exact Mass385.11
IUPAC Name5-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-2-piperazin-1-yl-6H-[1,3]thiazolo[5,4-d]pyrimidin-7-one
SMILESCc1cn2cc(-c3nc4sc(N5CCNCC5)nc4c(=O)[nH]3)cc(F)c2n1
InChIInChI=1S/C17H16FN7OS/c1-9-7-25-8-10(6-11(18)14(25)20-9)13-22-15(26)12-16(23-13)27-17(21-12)24-4-2-19-3-5-24/h6-8,19H,2-5H2,1H3,(H,22,23,26)
InChIKeyLBPIAZDNALBAQK-UHFFFAOYSA-N
XLogP1.55
TPSA91.21 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.43
LogP ≤ 51.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 5-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-2-piperazin-1-yl-6H-[1,3]thiazolo[5,4-d]pyrimidin-7-one?
The IUPAC name of 5-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-2-piperazin-1-yl-6H-[1,3]thiazolo[5,4-d]pyrimidin-7-one (CID 156888731) is 5-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-2-piperazin-1-yl-6H-[1,3]thiazolo[5,4-d]pyrimidin-7-one.
What is the SMILES notation for 5-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-2-piperazin-1-yl-6H-[1,3]thiazolo[5,4-d]pyrimidin-7-one?
The canonical SMILES for 5-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-2-piperazin-1-yl-6H-[1,3]thiazolo[5,4-d]pyrimidin-7-one is Cc1cn2cc(-c3nc4sc(N5CCNCC5)nc4c(=O)[nH]3)cc(F)c2n1.
What is the InChIKey of 5-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-2-piperazin-1-yl-6H-[1,3]thiazolo[5,4-d]pyrimidin-7-one?
The InChIKey is LBPIAZDNALBAQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16FN7OS/c1-9-7-25-8-10(6-11(18)14(25)20-9)13-22-15(26)12-16(23-13)27-17(21-12)24-4-2-19-3-5-24/h6-8,19H,2-5H2,1H3,(H,22,23,26).
What are the key properties of 5-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-2-piperazin-1-yl-6H-[1,3]thiazolo[5,4-d]pyrimidin-7-one?
5-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-2-piperazin-1-yl-6H-[1,3]thiazolo[5,4-d]pyrimidin-7-one has a molecular weight of 385.43 g/mol, XLogP of 1.55, 2 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-2-piperazin-1-yl-6H-[1,3]thiazolo[5,4-d]pyrimidin-7-one is sourced from PubChem (CID 156888731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).