7-(4,7-diazaspiro[2.5]octan-7-yl)-2-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one

C19H18FN7OS — CID 156888683

IUPAC7-(4,7-diazaspiro[2.5]octan-7-yl)-2-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one
SMILESCc1cn2cc(-c3nn4c(=O)cc(N5CCNC6(CC6)C5)nc4s3)cc(F)c2n1
InChIInChI=1S/C19H18FN7OS/c1-11-8-26-9-12(6-13(20)16(26)22-11)17-24-27-15(28)7-14(23-18(27)29-17)25-5-4-21-19(10-25)2-3-19/h6-9,21H,2-5,10H2,1H3
InChIKeyNYDJWJTZVUWYMI-UHFFFAOYSA-N
MW411.47 g/mol
LogP1.86
Rot. Bonds2

About 7-(4,7-diazaspiro[2.5]octan-7-yl)-2-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one

7-(4,7-diazaspiro[2.5]octan-7-yl)-2-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one (PubChem CID 156888683) has the molecular formula C19H18FN7OS and a molecular weight of 411.47 g/mol. Its IUPAC name is 7-(4,7-diazaspiro[2.5]octan-7-yl)-2-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one.

Molecular Properties

Compound Name7-(4,7-diazaspiro[2.5]octan-7-yl)-2-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one
PubChem CID156888683
Molecular FormulaC19H18FN7OS
Molecular Weight411.47 g/mol
Exact Mass411.13
IUPAC Name7-(4,7-diazaspiro[2.5]octan-7-yl)-2-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one
SMILESCc1cn2cc(-c3nn4c(=O)cc(N5CCNC6(CC6)C5)nc4s3)cc(F)c2n1
InChIInChI=1S/C19H18FN7OS/c1-11-8-26-9-12(6-13(20)16(26)22-11)17-24-27-15(28)7-14(23-18(27)29-17)25-5-4-21-19(10-25)2-3-19/h6-9,21H,2-5,10H2,1H3
InChIKeyNYDJWJTZVUWYMI-UHFFFAOYSA-N
XLogP1.86
TPSA79.83 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds2
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.47
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze 7-(4,7-diazaspiro[2.5]octan-7-yl)-2-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 7-(4,7-diazaspiro[2.5]octan-7-yl)-2-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one?
The IUPAC name of 7-(4,7-diazaspiro[2.5]octan-7-yl)-2-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one (CID 156888683) is 7-(4,7-diazaspiro[2.5]octan-7-yl)-2-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one.
What is the SMILES notation for 7-(4,7-diazaspiro[2.5]octan-7-yl)-2-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one?
The canonical SMILES for 7-(4,7-diazaspiro[2.5]octan-7-yl)-2-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one is Cc1cn2cc(-c3nn4c(=O)cc(N5CCNC6(CC6)C5)nc4s3)cc(F)c2n1.
What is the InChIKey of 7-(4,7-diazaspiro[2.5]octan-7-yl)-2-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one?
The InChIKey is NYDJWJTZVUWYMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18FN7OS/c1-11-8-26-9-12(6-13(20)16(26)22-11)17-24-27-15(28)7-14(23-18(27)29-17)25-5-4-21-19(10-25)2-3-19/h6-9,21H,2-5,10H2,1H3.
What are the key properties of 7-(4,7-diazaspiro[2.5]octan-7-yl)-2-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one?
7-(4,7-diazaspiro[2.5]octan-7-yl)-2-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one has a molecular weight of 411.47 g/mol, XLogP of 1.86, 2 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(4,7-diazaspiro[2.5]octan-7-yl)-2-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one is sourced from PubChem (CID 156888683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).