3-ethyl-2-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)-6-methylthieno[2,3-d]pyrimidin-4-one

C17H16N4OS2 — CID 19615157

IUPAC3-ethyl-2-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)-6-methylthieno[2,3-d]pyrimidin-4-one
SMILESCCn1c(SCc2cn3ccccc3n2)nc2sc(C)cc2c1=O
InChIInChI=1S/C17H16N4OS2/c1-3-21-16(22)13-8-11(2)24-15(13)19-17(21)23-10-12-9-20-7-5-4-6-14(20)18-12/h4-9H,3,10H2,1-2H3
InChIKeyRAQKVHHSHQONRC-UHFFFAOYSA-N
MW356.48 g/mol
LogP3.73
Rot. Bonds4

About 3-ethyl-2-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)-6-methylthieno[2,3-d]pyrimidin-4-one

3-ethyl-2-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)-6-methylthieno[2,3-d]pyrimidin-4-one (PubChem CID 19615157) has the molecular formula C17H16N4OS2 and a molecular weight of 356.48 g/mol. Its IUPAC name is 3-ethyl-2-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)-6-methylthieno[2,3-d]pyrimidin-4-one.

Molecular Properties

Compound Name3-ethyl-2-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)-6-methylthieno[2,3-d]pyrimidin-4-one
PubChem CID19615157
Molecular FormulaC17H16N4OS2
Molecular Weight356.48 g/mol
Exact Mass356.08
IUPAC Name3-ethyl-2-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)-6-methylthieno[2,3-d]pyrimidin-4-one
SMILESCCn1c(SCc2cn3ccccc3n2)nc2sc(C)cc2c1=O
InChIInChI=1S/C17H16N4OS2/c1-3-21-16(22)13-8-11(2)24-15(13)19-17(21)23-10-12-9-20-7-5-4-6-14(20)18-12/h4-9H,3,10H2,1-2H3
InChIKeyRAQKVHHSHQONRC-UHFFFAOYSA-N
XLogP3.73
TPSA52.19 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.48
LogP ≤ 53.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 3-ethyl-2-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)-6-methylthieno[2,3-d]pyrimidin-4-one with MolForge

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Related Compounds

4-ethyl-3-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)-1H-1,2,4-triazol-5-one
CID 112786106
2-[[4-ethyl-5-(5-methylthiophen-3-yl)-1,2,4-triazol-3-yl]sulfanylmethyl]imidazo[1,2-a]pyridine
CID 19717679
2-[[4-ethyl-5-(2-methylphenyl)-1,2,4-triazol-3-yl]sulfanylmethyl]imidazo[1,2-a]pyridine
CID 19729814
2-[[5-(4,5-dimethylthiophen-3-yl)-4-ethyl-1,2,4-triazol-3-yl]sulfanylmethyl]imidazo[1,2-a]pyridine
CID 19720848
2-(3-ethyl-6-methyl-4-oxothieno[2,3-d]pyrimidin-2-yl)sulfanyl-N-prop-2-enylacetamide
CID 19615160
2-(3-ethyl-6-methyl-4-oxothieno[2,3-d]pyrimidin-2-yl)sulfanyl-N-(2,3,4,5,6-pentafluorophenyl)acetamide
CID 19615173
3-[(4-fluorophenyl)methyl]-2-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)quinazolin-4-one
CID 7225921
3-ethyl-2-(imidazo[1,2-a]pyrimidin-2-ylmethylsulfanyl)-5,6-dimethylthieno[2,3-d]pyrimidin-4-one
CID 134003676
3-(furan-2-ylmethyl)-2-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)quinazolin-4-one
CID 17022349
3-ethyl-6-methyl-2-(2-morpholin-4-ylethylsulfanyl)thieno[2,3-d]pyrimidin-4-one
CID 19615093
2-[[5-(5-bromofuran-2-yl)-4-ethyl-1,2,4-triazol-3-yl]sulfanylmethyl]imidazo[1,2-a]pyridine
CID 19724695
2-[[4-ethyl-5-[(4-methylphenoxy)methyl]-1,2,4-triazol-3-yl]sulfanylmethyl]imidazo[1,2-a]pyridine
CID 21165389

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-2-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)-6-methylthieno[2,3-d]pyrimidin-4-one?
The IUPAC name of 3-ethyl-2-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)-6-methylthieno[2,3-d]pyrimidin-4-one (CID 19615157) is 3-ethyl-2-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)-6-methylthieno[2,3-d]pyrimidin-4-one.
What is the SMILES notation for 3-ethyl-2-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)-6-methylthieno[2,3-d]pyrimidin-4-one?
The canonical SMILES for 3-ethyl-2-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)-6-methylthieno[2,3-d]pyrimidin-4-one is CCn1c(SCc2cn3ccccc3n2)nc2sc(C)cc2c1=O.
What is the InChIKey of 3-ethyl-2-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)-6-methylthieno[2,3-d]pyrimidin-4-one?
The InChIKey is RAQKVHHSHQONRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N4OS2/c1-3-21-16(22)13-8-11(2)24-15(13)19-17(21)23-10-12-9-20-7-5-4-6-14(20)18-12/h4-9H,3,10H2,1-2H3.
What are the key properties of 3-ethyl-2-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)-6-methylthieno[2,3-d]pyrimidin-4-one?
3-ethyl-2-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)-6-methylthieno[2,3-d]pyrimidin-4-one has a molecular weight of 356.48 g/mol, XLogP of 3.73, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-2-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)-6-methylthieno[2,3-d]pyrimidin-4-one is sourced from PubChem (CID 19615157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).